data_2ljh_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 2ljh _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 ' 64' ' ' ASN . . . . . 0.535 ' ND2' HG23 ' A' ' 66' ' ' VAL . 9.2 p-10 . . . . . 0 N--CA 1.452 -0.337 0 CA-C-O 121.626 0.727 . . . . 64.21 110.913 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 24.1 p -61.16 -28.32 69.04 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 114.856 -1.066 . . . . 75.31 112.468 -175.049 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.535 HG23 ' ND2' ' A' ' 64' ' ' ASN . 1.9 m -65.39 -29.95 48.74 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.148 0 CA-C-O 121.032 0.444 . . . . 75.42 110.283 -177.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . 0.411 ' O ' ' HG2' ' A' ' 71' ' ' GLU . . . -73.26 -39.44 65.42 Favored 'General case' 0 N--CA 1.451 -0.412 0 N-CA-C 109.417 -0.586 . . . . 61.34 109.417 176.851 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 69.0 mmm -57.46 -46.52 83.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.116 -0.947 . . . . 72.22 110.651 176.562 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -59.18 -36.75 75.88 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.925 -0.579 . . . . 63.23 111.436 179.684 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 23.4 m-80 -70.56 -19.99 62.83 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.021 0.438 . . . . 72.25 110.711 -178.347 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . 0.411 ' HG2' ' O ' ' A' ' 67' ' ' ALA . 5.7 mm-40 -84.52 -20.96 30.76 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.899 -0.591 . . . . 74.2 110.412 176.921 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 85.1 mt -90.88 -71.79 0.61 Allowed 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.816 -0.629 . . . . 74.32 111.377 -178.491 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 28.8 mmm180 -128.9 139.35 52.17 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.266 -0.424 . . . . 74.11 110.837 -172.529 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 5.0 p-80 -93.38 172.3 8.37 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 109.407 -0.59 . . . . 71.34 109.407 173.28 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 89.55 10.88 64.88 Favored Glycine 0 N--CA 1.447 -0.631 0 C-N-CA 120.506 -0.854 . . . . 72.31 111.058 -176.868 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . 0.74 ' H ' HD23 ' A' ' 76' ' ' LEU . 2.0 pt? -84.99 117.45 23.98 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.219 0.533 . . . . 74.13 110.356 -178.931 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . 0.573 ' O ' ' HA ' ' A' ' 96' ' ' VAL . 3.8 mp -109.21 110.95 34.0 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 CA-C-N 116.105 -0.498 . . . . 73.15 110.573 179.69 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . 0.425 ' CD1' ' HG3' ' A' ' 114' ' ' ARG . 98.8 m-85 -88.46 108.96 19.65 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 109.862 -0.421 . . . . 74.15 109.862 174.132 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 30.8 pttt -127.56 134.9 49.71 Favored 'General case' 0 C--N 1.316 -0.878 0 CA-C-N 116.028 -0.533 . . . . 75.25 110.571 -176.119 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 45.1 tp -78.92 97.48 6.03 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 109.318 -0.623 . . . . 74.21 109.318 178.093 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . 0.511 ' HB3' ' HG ' ' A' ' 95' ' ' SER . 7.2 pt-20 -78.41 -28.73 46.89 Favored 'General case' 0 C--N 1.325 -0.476 0 C-N-CA 120.606 -0.437 . . . . 72.24 111.328 -174.446 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 49.1 m -152.46 142.82 22.55 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 120.679 0.276 . . . . 70.21 110.342 178.784 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 22.7 tm0? -131.67 124.05 29.05 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 109.445 -0.576 . . . . 73.51 109.445 176.782 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 9.5 p -146.83 -163.51 1.77 Allowed 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.918 -0.583 . . . . 64.1 110.176 -176.718 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 102.3 176.63 27.57 Favored Glycine 0 N--CA 1.449 -0.489 0 C-N-CA 121.078 -0.582 . . . . 54.1 113.086 170.753 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 62.9 Cg_endo -72.4 -173.6 1.18 Allowed 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 123.124 2.549 . . . . 74.02 112.091 175.367 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 14.1 p -95.92 -26.72 4.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-O 121.089 0.471 . . . . 71.12 110.252 178.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 43.7 p-80 -76.38 -23.16 54.08 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.02 -0.536 . . . . 71.44 110.352 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -165.62 75.91 1.3 Allowed Pre-proline 0 C--N 1.331 -0.211 0 CA-C-N 116.189 -0.459 . . . . 64.34 110.458 179.627 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' PRO . . . . . 0.654 ' O ' ' HA ' ' A' ' 108' ' ' ARG . 7.1 Cg_exo -65.39 164.62 25.21 Favored 'Trans proline' 0 N--CA 1.46 -0.496 0 C-N-CA 122.132 1.888 . . . . 62.33 112.168 -176.649 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.42 HD21 ' HA ' ' A' ' 91' ' ' LEU . 2.7 tm? -111.81 114.05 26.78 Favored 'General case' 0 C--N 1.317 -0.806 0 N-CA-C 109.309 -0.626 . . . . 72.34 109.309 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . 0.431 ' O ' ' HA ' ' A' ' 106' ' ' GLN . 25.4 m-85 -103.76 133.22 49.11 Favored 'General case' 0 C--N 1.315 -0.928 0 CA-C-N 115.101 -0.954 . . . . 74.42 109.198 179.327 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 37.8 m -115.45 101.07 8.56 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-O 121.214 0.531 . . . . 72.33 110.291 -177.471 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . 0.503 HG22 ' HA ' ' A' ' 114' ' ' ARG . 6.5 mm -97.35 128.74 48.34 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.717 0 CA-C-N 115.409 -0.814 . . . . 72.24 110.1 -179.726 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' SER . . . . . 0.571 ' CB ' ' HD3' ' A' ' 102' ' ' LYS . 2.3 p -109.79 122.7 48.1 Favored 'General case' 0 C--N 1.311 -1.095 0 CA-C-N 115.717 -0.674 . . . . 60.35 110.034 177.081 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . 0.573 ' HA ' ' O ' ' A' ' 77' ' ' ILE . 11.8 p -110.73 124.17 67.28 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.846 0 CA-C-O 121.368 0.604 . . . . 71.23 109.71 174.263 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 22.2 tt0 -100.57 116.69 33.08 Favored 'General case' 0 C--N 1.314 -0.969 0 CA-C-N 115.799 -0.637 . . . . 74.02 109.47 179.743 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 17.9 t -130.87 122.5 52.29 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.7 0 CA-C-N 116.027 -0.533 . . . . 72.31 110.301 -177.163 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 55.43 25.3 7.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.233 -0.894 . . . . 72.42 112.309 178.538 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 96.31 -4.98 65.03 Favored Glycine 0 N--CA 1.449 -0.465 0 C-N-CA 120.803 -0.713 . . . . 38.56 112.925 177.83 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' GLN . . . . . 0.463 ' HA ' ' NE2' ' A' ' 101' ' ' GLN . 10.3 mm-40 -106.27 124.95 50.38 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-O 121.075 0.464 . . . . 63.22 110.641 177.438 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . 0.571 ' HD3' ' CB ' ' A' ' 95' ' ' SER . 3.2 tmmm? -92.58 114.03 26.46 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 115.58 -0.736 . . . . 70.24 109.618 -179.606 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 59.6 m-85 -100.3 134.38 43.31 Favored 'General case' 0 C--N 1.316 -0.886 0 CA-C-N 115.655 -0.702 . . . . 74.34 109.16 177.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 13.2 tp -109.01 140.34 42.66 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 120.803 0.335 . . . . 73.42 111.005 -173.362 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -135.38 130.24 5.34 Favored Glycine 0 N--CA 1.445 -0.748 0 N-CA-C 111.281 -0.728 . . . . 71.05 111.281 177.091 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . 0.431 ' HA ' ' O ' ' A' ' 92' ' ' PHE . 32.1 mt-30 -122.23 112.43 18.16 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 121.167 0.508 . . . . 75.22 110.932 -176.328 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -132.71 -176.48 14.43 Favored Glycine 0 N--CA 1.447 -0.592 0 C-N-CA 120.879 -0.677 . . . . 74.21 111.657 -176.827 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . 0.654 ' HA ' ' O ' ' A' ' 90' ' ' PRO . 11.1 mmt180 -90.11 6.75 41.16 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.166 0.508 . . . . 75.01 111.186 -176.31 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 61.4 m -161.85 161.55 29.01 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 108.788 -0.819 . . . . 72.32 108.788 178.228 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 94.5 mttt -52.59 -42.98 65.02 Favored 'General case' 0 N--CA 1.467 0.419 0 CA-C-O 121.194 0.521 . . . . 71.42 110.613 177.529 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 42.1 tttp -61.59 -53.22 59.17 Favored 'General case' 0 N--CA 1.452 -0.333 0 CA-C-N 115.254 -0.885 . . . . 64.45 110.881 -177.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 22.0 t -57.83 -49.68 80.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 115.819 -0.628 . . . . 72.44 110.954 178.714 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -60.49 -38.08 83.15 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.067 -0.515 . . . . 75.01 111.279 -178.015 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 114' ' ' ARG . . . . . 0.503 ' HA ' HG22 ' A' ' 94' ' ' ILE . 40.0 ttm180 -62.94 -46.81 86.02 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.938 -0.574 . . . . 74.4 110.135 178.786 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 79.6 mt -56.09 -50.04 72.39 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.484 0 CA-C-N 115.623 -0.717 . . . . 73.52 111.172 174.281 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -56.78 -41.58 77.92 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.943 0.402 . . . . 51.15 111.416 -179.238 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . 0.498 ' HB1' HG12 ' A' ' 96' ' ' VAL . . . -62.14 -45.83 91.71 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.168 0.508 . . . . 71.21 111.046 179.61 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . 0.543 ' O ' ' HG ' ' A' ' 122' ' ' LEU . . . -69.14 -30.43 68.67 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.685 -0.689 . . . . 62.12 111.625 -176.771 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -59.78 -47.76 84.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.041 0.448 . . . . 74.55 110.605 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 25.8 m -58.84 -40.77 85.2 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.809 -0.632 . . . . 72.03 110.598 177.484 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -63.27 -42.15 99.1 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.832 -0.622 . . . . 51.54 111.226 -179.257 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . 0.543 ' HG ' ' O ' ' A' ' 118' ' ' ALA . 65.7 mt -57.77 -51.63 68.78 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.296 -0.411 . . . . 64.32 111.329 -177.085 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 2.5 ptm180 -68.31 -17.73 64.34 Favored 'General case' 0 CA--C 1.533 0.293 0 CA-C-O 121.125 0.488 . . . . 74.13 110.556 -176.707 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 22.8 t -72.86 -30.09 63.71 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.172 -0.467 . . . . 60.32 110.505 176.615 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 62.9 m-85 -89.28 -64.05 1.2 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.047 0.451 . . . . 74.01 110.332 179.511 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 126' ' ' ILE . . . . . 0.418 ' H ' HD12 ' A' ' 126' ' ' ILE . 0.2 OUTLIER . . . . . 0 C--N 1.323 -0.561 0 CA-C-O 121.325 0.583 . . . . 73.33 109.827 178.77 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . 0.661 ' ND2' ' HB ' ' A' ' 66' ' ' VAL . 11.9 p-10 . . . . . 0 CA--C 1.512 -0.497 0 CA-C-O 121.16 0.505 . . . . 70.22 110.563 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 32.5 p -57.24 -29.33 63.7 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.226 -0.897 . . . . 73.11 110.853 178.272 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.661 ' HB ' ' ND2' ' A' ' 64' ' ' ASN . 29.6 t -56.66 -48.31 80.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 115.257 -0.883 . . . . 75.34 110.599 176.888 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . 0.554 ' O ' ' HG3' ' A' ' 71' ' ' GLU . . . -65.86 -36.79 84.43 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.942 -0.572 . . . . 74.34 110.271 178.798 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' MET . . . . . 0.446 ' HB2' HD12 ' A' ' 122' ' ' LEU . 70.9 mmm -59.49 -45.38 91.85 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.746 -0.661 . . . . 72.34 110.752 177.68 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.574 ' HB3' HD11 ' A' ' 76' ' ' LEU . 1.1 mt -62.32 -33.35 74.51 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.924 -0.58 . . . . 75.53 110.958 179.787 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 27.1 m-80 -69.93 -21.09 63.31 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.217 -0.447 . . . . 72.42 110.594 178.843 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . 0.554 ' HG3' ' O ' ' A' ' 67' ' ' ALA . 30.7 mt-10 -85.04 -20.36 30.55 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.056 -0.52 . . . . 73.31 110.226 178.18 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 93.5 mt -94.92 -66.29 0.92 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.128 -0.487 . . . . 74.31 111.622 -178.192 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 10.7 mmt180 -117.16 172.94 6.95 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.167 0.508 . . . . 74.32 111.502 -176.063 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 6.7 p-80 -125.75 164.55 20.41 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.469 -0.787 . . . . 75.04 109.328 174.548 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 80.42 21.15 65.11 Favored Glycine 0 N--CA 1.448 -0.559 0 C-N-CA 120.209 -0.996 . . . . 60.03 111.191 -179.039 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . 0.83 ' H ' HD23 ' A' ' 76' ' ' LEU . 1.4 pt? -85.52 102.2 13.31 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.357 0.598 . . . . 74.5 110.075 179.631 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . 0.534 ' O ' ' HA ' ' A' ' 96' ' ' VAL . 3.4 mp -93.99 112.05 26.17 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.768 0 CA-C-N 115.837 -0.62 . . . . 71.43 110.85 -178.181 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . 0.516 ' CZ ' HG13 ' A' ' 66' ' ' VAL . 97.9 m-85 -89.32 108.92 19.9 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 109.609 -0.515 . . . . 75.33 109.609 173.016 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . 0.433 ' HG3' ' OG ' ' A' ' 95' ' ' SER . 31.5 pttt -127.95 128.38 44.99 Favored 'General case' 0 C--N 1.314 -0.949 0 CA-C-N 115.806 -0.634 . . . . 64.41 110.408 -175.236 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 43.8 tp -74.13 99.49 3.39 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.029 -0.532 . . . . 73.32 109.656 179.096 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . 0.423 ' OE1' ' HB3' ' A' ' 95' ' ' SER . 6.1 pt-20 -82.44 -29.0 30.96 Favored 'General case' 0 C--N 1.323 -0.582 0 C-N-CA 120.449 -0.501 . . . . 74.52 111.136 -174.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 24.9 m -151.78 149.6 29.21 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.796 0.331 . . . . 72.11 111.403 -178.676 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 22.8 tm0? -149.82 117.55 6.22 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 109.346 -0.613 . . . . 74.01 109.346 173.735 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 2.7 p -151.63 154.81 37.13 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.09 -0.504 . . . . 74.31 110.047 -179.876 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 139.56 176.08 14.62 Favored Glycine 0 N--CA 1.448 -0.525 0 C-N-CA 120.457 -0.878 . . . . 44.24 112.811 175.887 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -68.23 171.78 12.14 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.924 2.416 . . . . 73.24 111.899 179.355 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 14.6 p -80.81 -27.86 11.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-O 120.74 0.305 . . . . 74.42 110.987 -178.474 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 35.8 p-80 -75.11 -26.99 59.68 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 120.817 0.341 . . . . 74.3 110.624 179.529 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -153.41 77.14 6.06 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 116.229 -0.441 . . . . 64.21 110.623 178.667 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' PRO . . . . . 0.441 ' O ' ' HA ' ' A' ' 108' ' ' ARG . 57.8 Cg_endo -78.49 142.65 18.66 Favored 'Trans proline' 0 N--CA 1.458 -0.592 0 C-N-CA 122.234 1.956 . . . . 75.31 111.456 178.677 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 22.0 tp -99.29 131.61 45.19 Favored 'General case' 0 C--N 1.316 -0.858 0 CA-C-O 121.426 0.632 . . . . 74.34 110.767 -178.235 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . 0.405 ' O ' ' HA ' ' A' ' 106' ' ' GLN . 11.0 m-85 -114.33 135.6 53.9 Favored 'General case' 0 C--N 1.313 -1.008 0 CA-C-N 115.093 -0.958 . . . . 73.15 108.654 177.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' THR . . . . . 0.429 HG22 HD12 ' A' ' 104' ' ' LEU . 24.7 m -120.19 100.83 7.42 Favored 'General case' 0 C--N 1.313 -0.99 0 CA-C-O 121.314 0.578 . . . . 55.33 110.388 -176.223 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . 0.433 HG23 ' HA ' ' A' ' 114' ' ' ARG . 7.4 mm -97.45 127.82 49.36 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.792 0 CA-C-N 115.308 -0.86 . . . . 74.21 109.888 -178.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' SER . . . . . 0.54 ' HB2' ' HD3' ' A' ' 102' ' ' LYS . 6.4 p -106.92 123.28 47.94 Favored 'General case' 0 C--N 1.312 -1.03 0 CA-C-N 115.634 -0.712 . . . . 71.12 109.753 178.36 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . 0.534 ' HA ' ' O ' ' A' ' 77' ' ' ILE . 12.6 p -116.28 128.23 73.65 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 CA-C-O 121.401 0.619 . . . . 70.14 109.883 175.938 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 12.0 tt0 -101.64 111.91 24.3 Favored 'General case' 0 C--N 1.315 -0.921 0 CA-C-N 115.79 -0.641 . . . . 74.45 109.648 -177.788 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . 0.411 HG23 HG22 ' A' ' 96' ' ' VAL . 62.0 t -132.47 124.0 50.83 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.784 0 CA-C-N 116.113 -0.494 . . . . 64.12 110.46 -175.523 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 2.1 t70 60.57 21.99 11.78 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-N 115.723 -0.671 . . . . 75.21 111.06 177.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 93.72 -13.88 66.51 Favored Glycine 0 C--N 1.331 0.297 0 C-N-CA 120.941 -0.647 . . . . 74.2 112.204 -179.294 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 16.1 mm-40 -93.03 127.87 38.71 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 121.192 0.52 . . . . 72.31 110.289 178.214 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . 0.54 ' HD3' ' HB2' ' A' ' 95' ' ' SER . 2.5 tmmm? -93.85 106.07 18.06 Favored 'General case' 0 C--N 1.315 -0.911 0 CA-C-N 115.58 -0.736 . . . . 71.22 109.549 179.183 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' TYR . . . . . 0.468 ' HB3' ' HB ' ' A' ' 120' ' ' THR . 79.5 m-85 -93.76 130.85 39.59 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-N 115.376 -0.829 . . . . 75.01 109.594 179.656 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . 0.429 HD12 HG22 ' A' ' 93' ' ' THR . 13.3 tp -104.43 139.07 39.9 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-O 120.982 0.42 . . . . 70.42 110.752 -176.11 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . 0.426 ' HA3' ' N ' ' A' ' 117' ' ' ALA . . . -128.89 125.67 5.01 Favored Glycine 0 N--CA 1.44 -1.075 0 N-CA-C 111.329 -0.708 . . . . 72.42 111.329 177.081 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . 0.405 ' HA ' ' O ' ' A' ' 92' ' ' PHE . 21.2 mt-30 -120.04 122.97 42.3 Favored 'General case' 0 C--N 1.317 -0.812 0 N-CA-C 109.919 -0.4 . . . . 71.34 109.919 -177.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -143.11 -176.39 17.12 Favored Glycine 0 N--CA 1.447 -0.619 0 N-CA-C 111.575 -0.61 . . . . 53.54 111.575 -178.745 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . 0.441 ' HA ' ' O ' ' A' ' 90' ' ' PRO . 24.8 mmt180 -88.04 2.91 50.74 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.133 0.492 . . . . 73.22 110.873 -176.84 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 35.6 m -160.87 165.48 30.07 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 109.317 -0.623 . . . . 74.11 109.317 -179.762 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 91.7 mttt -56.68 -42.8 79.69 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-O 121.199 0.523 . . . . 72.41 109.852 176.203 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 43.3 tttt -52.92 -54.57 32.9 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-N 114.707 -1.133 . . . . 73.41 110.913 178.375 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . 0.485 ' O ' ' HG2' ' A' ' 116' ' ' GLU . 26.3 t -64.64 -51.18 70.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 115.476 -0.784 . . . . 74.41 110.729 -178.066 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -57.8 -39.95 78.77 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.949 -0.569 . . . . 63.1 111.962 -176.11 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 114' ' ' ARG . . . . . 0.48 ' HG3' ' CD1' ' A' ' 78' ' ' TYR . 41.0 ttm180 -65.51 -44.37 87.21 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.872 0.367 . . . . 71.22 110.617 179.908 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 72.8 mt -60.19 -49.03 85.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 115.938 -0.574 . . . . 75.12 110.784 174.588 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . 0.485 ' HG2' ' O ' ' A' ' 112' ' ' VAL . 29.7 mm-40 -57.54 -40.38 78.69 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.463 -0.335 . . . . 74.15 111.545 179.091 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . 0.426 ' N ' ' HA3' ' A' ' 105' ' ' GLY . . . -61.56 -47.44 85.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.117 0.484 . . . . 44.41 110.5 178.749 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . 0.449 ' O ' ' HG ' ' A' ' 122' ' ' LEU . . . -67.91 -32.23 72.56 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.67 -0.696 . . . . 65.34 110.915 179.806 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -64.16 -38.12 89.93 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.167 -0.47 . . . . 75.11 110.373 177.88 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 120' ' ' THR . . . . . 0.468 ' HB ' ' HB3' ' A' ' 103' ' ' TYR . 27.3 m -62.56 -40.69 97.65 Favored 'General case' 0 N--CA 1.452 -0.351 0 CA-C-O 121.336 0.589 . . . . 71.04 110.045 176.426 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -64.9 -52.14 58.14 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.54 -0.754 . . . . 74.25 111.155 178.659 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . 0.449 ' HG ' ' O ' ' A' ' 118' ' ' ALA . 62.0 mt -56.33 -47.87 77.89 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.328 -0.396 . . . . 73.04 111.518 -177.887 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 14.8 ptp180 -69.48 -16.09 63.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.354 -0.385 . . . . 74.32 110.94 -177.036 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 21.7 t -81.98 -28.16 32.81 Favored 'General case' 0 N--CA 1.453 -0.31 0 N-CA-C 109.879 -0.415 . . . . 75.21 109.879 176.542 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 25.0 m-85 -80.72 -56.16 4.33 Favored 'General case' 0 N--CA 1.451 -0.408 0 CA-C-N 116.015 -0.539 . . . . 74.12 110.201 179.52 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.233 0.196 0 CA-C-N 116.264 -0.425 . . . . 74.53 111.16 -176.892 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . 0.631 ' OD1' ' HB ' ' A' ' 66' ' ' VAL . 8.5 p30 . . . . . 0 C--O 1.235 0.339 0 CA-C-O 122.194 0.997 . . . . 63.34 111.691 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 25.2 p -72.7 -16.81 61.67 Favored 'General case' 0 C--N 1.313 -1.007 0 CA-C-N 114.182 -1.372 . . . . 73.24 110.805 -179.763 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.631 ' HB ' ' OD1' ' A' ' 64' ' ' ASN . 65.3 t -60.75 -48.86 86.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 115.589 -0.732 . . . . 75.02 110.177 177.253 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . 0.525 ' O ' ' HG3' ' A' ' 71' ' ' GLU . . . -63.69 -40.21 96.22 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.798 -0.637 . . . . 74.34 109.957 176.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 77.5 mmm -56.68 -42.18 78.6 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.527 -0.761 . . . . 75.21 111.381 177.539 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.723 HD11 ' HH ' ' A' ' 78' ' ' TYR . 2.9 mt -63.07 -37.33 86.77 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.477 -0.329 . . . . 75.53 111.026 -179.784 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 27.3 m-80 -64.78 -24.32 67.52 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.091 0.472 . . . . 75.14 110.514 179.103 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . 0.525 ' HG3' ' O ' ' A' ' 67' ' ' ALA . 29.9 mt-10 -86.45 -18.73 30.96 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.776 -0.647 . . . . 71.32 110.862 179.743 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 55.7 mt -96.67 -65.08 0.99 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.858 0.361 . . . . 74.33 111.602 -178.062 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -134.83 117.07 15.52 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 120.873 0.368 . . . . 72.44 111.1 -173.433 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 11.4 p-80 -73.72 159.8 32.45 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.899 -0.591 . . . . 74.32 110.14 174.275 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 93.07 30.5 9.3 Favored Glycine 0 N--CA 1.446 -0.638 0 C-N-CA 120.37 -0.919 . . . . 45.32 111.131 -175.636 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . 0.765 ' H ' HD23 ' A' ' 76' ' ' LEU . 1.3 pt? -98.25 114.82 27.21 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.01 0.434 . . . . 75.33 110.454 -179.57 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . 0.471 ' O ' ' HA ' ' A' ' 96' ' ' VAL . 4.2 mp -114.77 110.37 31.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-N 116.146 -0.479 . . . . 71.41 110.589 -178.609 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . 0.723 ' HH ' HD11 ' A' ' 69' ' ' LEU . 90.9 m-85 -90.16 123.08 33.69 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 110.274 -0.269 . . . . 74.0 110.274 177.665 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 16.8 ptpt -132.27 144.08 50.35 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 116.139 -0.482 . . . . 75.31 110.287 179.098 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 49.1 tp -87.48 100.61 12.89 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 109.1 -0.704 . . . . 72.21 109.1 177.728 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -85.82 -27.24 25.25 Favored 'General case' 0 C--N 1.325 -0.483 0 C-N-CA 120.519 -0.472 . . . . 72.23 111.7 -173.215 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 70.7 m -156.86 153.48 28.3 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.943 0.401 . . . . 75.33 111.074 -178.793 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 23.2 tm0? -149.98 116.57 5.82 Favored 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 108.592 -0.892 . . . . 75.4 108.592 178.266 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 22.5 p -147.62 157.4 43.54 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 116.324 -0.398 . . . . 63.55 110.854 -174.064 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 129.22 -165.06 22.04 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.253 -0.975 . . . . 53.25 112.825 172.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -75.15 177.04 9.14 Favored 'Trans proline' 0 N--CA 1.462 -0.373 0 C-N-CA 122.932 2.421 . . . . 64.24 111.887 177.314 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 13.2 p -92.21 -27.13 4.77 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-O 120.898 0.38 . . . . 75.3 110.319 -179.317 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 49.7 p-80 -75.91 -23.85 55.56 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.254 -0.43 . . . . 75.44 110.358 -179.682 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . 0.422 ' HB2' ' HD2' ' A' ' 108' ' ' ARG . . . -155.59 72.59 5.43 Favored Pre-proline 0 C--N 1.328 -0.359 0 CA-C-N 116.326 -0.397 . . . . 65.24 110.537 178.611 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' PRO . . . . . 0.525 ' O ' ' HA ' ' A' ' 108' ' ' ARG . 5.5 Cg_exo -71.54 146.29 49.2 Favored 'Trans proline' 0 N--CA 1.454 -0.795 0 C-N-CA 121.998 1.799 . . . . 64.23 111.786 -178.305 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.412 HD11 ' HB3' ' A' ' 106' ' ' GLN . 2.8 tm? -98.21 115.91 29.33 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-O 121.364 0.602 . . . . 64.51 109.569 -179.582 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 21.0 m-85 -100.82 136.19 41.08 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 115.259 -0.882 . . . . 74.12 109.121 179.216 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 15.5 m -119.17 103.05 9.17 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 121.03 0.443 . . . . 75.53 110.591 -176.755 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . 0.524 HG23 ' HA ' ' A' ' 114' ' ' ARG . 7.1 mm -100.38 128.64 52.19 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 CA-C-N 115.667 -0.697 . . . . 73.22 109.766 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' SER . . . . . 0.569 ' HB2' ' HD3' ' A' ' 102' ' ' LYS . 0.6 OUTLIER -110.14 137.64 47.61 Favored 'General case' 0 C--N 1.314 -0.962 0 CA-C-N 116.016 -0.538 . . . . 54.23 110.431 175.651 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . 0.498 HG11 ' HB1' ' A' ' 117' ' ' ALA . 7.1 p -133.34 128.1 54.89 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.818 0 CA-C-N 115.822 -0.626 . . . . 72.24 110.14 176.149 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 26.7 tt0 -96.7 115.72 27.91 Favored 'General case' 0 C--N 1.316 -0.867 0 N-CA-C 109.353 -0.61 . . . . 73.1 109.353 176.489 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 18.6 t -124.34 120.92 60.48 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.792 0 CA-C-N 115.868 -0.605 . . . . 74.13 109.763 -176.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 22.1 t70 67.27 1.73 2.55 Favored 'General case' 0 N--CA 1.47 0.556 0 O-C-N 123.739 0.649 . . . . 64.14 111.142 179.708 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 120.33 -19.05 9.36 Favored Glycine 0 N--CA 1.446 -0.669 0 C-N-CA 120.944 -0.646 . . . . 74.22 112.298 -178.695 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' GLN . . . . . 0.487 ' HA ' ' NE2' ' A' ' 101' ' ' GLN . 13.6 mm-40 -91.99 133.57 35.6 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.991 0.424 . . . . 63.52 111.249 -179.873 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . 0.569 ' HD3' ' HB2' ' A' ' 95' ' ' SER . 0.5 OUTLIER -98.03 100.29 11.61 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.826 -0.624 . . . . 74.14 109.809 -176.195 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 70.6 m-85 -89.84 147.74 23.6 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.553 -0.749 . . . . 74.54 109.974 -178.813 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 13.3 tp -118.47 137.13 53.39 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 120.877 0.37 . . . . 73.41 110.853 -177.172 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . 0.403 ' HA3' ' N ' ' A' ' 117' ' ' ALA . . . -130.98 131.15 6.32 Favored Glycine 0 N--CA 1.446 -0.681 0 N-CA-C 111.456 -0.658 . . . . 72.23 111.456 178.909 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . 0.412 ' HB3' HD11 ' A' ' 91' ' ' LEU . 23.8 mt-30 -122.67 125.25 45.21 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 120.867 0.365 . . . . 75.34 110.691 -175.378 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -145.28 179.69 22.19 Favored Glycine 0 N--CA 1.448 -0.505 0 C-N-CA 120.811 -0.709 . . . . 65.04 112.188 -178.13 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . 0.525 ' HA ' ' O ' ' A' ' 90' ' ' PRO . 29.0 mmt180 -88.75 6.92 36.42 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.176 0.513 . . . . 72.52 111.309 -177.309 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 49.3 m -160.57 165.94 29.88 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 108.665 -0.865 . . . . 52.11 108.665 178.283 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 55.3 mttp -59.07 -39.62 82.7 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.188 0.518 . . . . 71.03 110.343 -179.27 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 82.2 tttt -62.55 -53.81 49.15 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.248 -0.887 . . . . 74.55 111.056 -179.491 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . 0.455 ' O ' ' HG2' ' A' ' 116' ' ' GLU . 22.5 t -53.79 -50.95 48.68 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 115.923 -0.58 . . . . 74.41 110.248 179.517 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -60.9 -41.54 96.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.841 -0.618 . . . . 62.03 111.744 -177.035 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 114' ' ' ARG . . . . . 0.524 ' HA ' HG23 ' A' ' 94' ' ' ILE . 22.5 ttm180 -63.03 -41.98 99.66 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.897 0.38 . . . . 72.22 110.57 179.635 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 115' ' ' ILE . . . . . 0.519 HG12 ' HB2' ' A' ' 64' ' ' ASN . 73.4 mt -65.74 -47.92 84.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 116.026 -0.533 . . . . 63.34 111.044 176.576 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . 0.455 ' HG2' ' O ' ' A' ' 112' ' ' VAL . 42.8 mm-40 -57.84 -38.57 75.9 Favored 'General case' 0 C--O 1.236 0.349 0 CA-C-O 120.927 0.394 . . . . 65.02 111.642 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . 0.498 ' HB1' HG11 ' A' ' 96' ' ' VAL . . . -62.49 -44.89 95.27 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.257 -0.429 . . . . 74.31 110.382 177.315 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . 0.509 ' O ' ' HG ' ' A' ' 122' ' ' LEU . . . -67.13 -35.72 80.34 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.709 -0.678 . . . . 74.43 111.274 -179.844 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -61.65 -38.57 88.22 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.137 0.494 . . . . 72.32 110.584 179.89 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 120' ' ' THR . . . . . 0.467 ' O ' ' HG2' ' A' ' 123' ' ' ARG . 21.4 m -67.44 -41.88 84.04 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.669 -0.696 . . . . 70.32 110.287 178.567 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -59.39 -47.11 86.69 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.767 -0.651 . . . . 70.11 110.738 178.333 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . 0.509 ' HG ' ' O ' ' A' ' 118' ' ' ALA . 37.4 mt -53.25 -49.65 66.42 Favored 'General case' 0 N--CA 1.462 0.152 0 CA-C-N 115.97 -0.559 . . . . 71.24 111.542 -177.556 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 123' ' ' ARG . . . . . 0.47 ' HA ' ' O ' ' A' ' 126' ' ' ILE . 23.9 ptt180 -66.39 -24.92 66.56 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.466 -0.334 . . . . 73.53 111.011 -175.376 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 4.7 t -73.38 -24.06 60.26 Favored 'General case' 0 N--CA 1.453 -0.311 0 CA-C-O 121.122 0.487 . . . . 53.22 110.156 179.682 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 63.7 m-85 -87.54 -54.72 4.13 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.048 -0.524 . . . . 74.34 110.333 175.721 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 126' ' ' ILE . . . . . 0.47 ' O ' ' HA ' ' A' ' 123' ' ' ARG . 0.2 OUTLIER . . . . . 0 C--N 1.33 -0.265 0 CA-C-N 116.135 -0.484 . . . . 74.43 110.619 -178.592 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 17.0 p-10 . . . . . 0 CA--C 1.516 -0.352 0 CA-C-O 121.419 0.628 . . . . 73.35 110.648 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 34.1 p -56.77 -27.68 59.99 Favored 'General case' 0 C--N 1.315 -0.913 0 CA-C-N 114.848 -1.069 . . . . 73.05 111.392 -179.816 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 38.4 t -57.21 -44.92 84.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 115.584 -0.735 . . . . 71.33 110.405 176.306 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -62.32 -42.92 99.78 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.756 -0.656 . . . . 74.53 110.09 178.463 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 69.0 mmm -58.44 -44.3 89.1 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.22 -0.9 . . . . 73.32 110.727 178.782 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.567 ' HB3' HD11 ' A' ' 76' ' ' LEU . 0.9 OUTLIER -62.04 -37.27 84.29 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.062 -0.517 . . . . 55.04 111.491 179.498 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 20.3 m-80 -69.04 -20.27 64.12 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-O 121.178 0.514 . . . . 74.34 110.732 -178.045 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 -86.91 -26.67 23.8 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.598 -0.728 . . . . 74.33 110.955 178.612 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 80.3 mt -86.35 -61.09 1.82 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.054 -0.521 . . . . 72.04 112.027 -175.369 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . 0.404 HH11 ' HD3' ' A' ' 73' ' ' ARG . 6.3 mmt-85 -125.29 173.57 8.73 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.939 0.399 . . . . 72.24 111.311 -175.763 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 10.3 p-80 -121.64 160.3 24.71 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.611 -0.722 . . . . 73.01 109.284 174.582 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 78.42 38.11 25.89 Favored Glycine 0 N--CA 1.446 -0.672 0 C-N-CA 120.317 -0.945 . . . . 62.22 111.508 -177.666 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . 0.69 HD21 ' H ' ' A' ' 76' ' ' LEU . 0.7 OUTLIER -95.39 88.67 5.18 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.344 0.592 . . . . 51.23 110.008 178.205 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 4.3 mp -89.28 108.46 19.16 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-N 115.958 -0.564 . . . . 74.32 110.524 -177.322 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . 0.49 ' HH ' HD12 ' A' ' 69' ' ' LEU . 94.1 m-85 -82.63 119.66 24.57 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 109.533 -0.543 . . . . 74.35 109.533 174.843 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . 0.618 ' HG2' ' O ' ' A' ' 95' ' ' SER . 14.3 ptpt -127.47 133.9 49.86 Favored 'General case' 0 C--N 1.318 -0.8 0 N-CA-C 109.807 -0.442 . . . . 75.02 109.807 -179.256 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.507 HD23 ' HE2' ' A' ' 110' ' ' LYS . 34.0 tp -81.49 116.07 21.1 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 109.189 -0.671 . . . . 73.31 109.189 177.336 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -93.35 -29.84 15.42 Favored 'General case' 0 C--N 1.322 -0.603 0 C-N-CA 120.292 -0.563 . . . . 71.11 111.631 -177.581 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 3.0 p -156.93 144.92 19.32 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.055 0.455 . . . . 71.21 111.749 -179.275 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 20.9 tm0? -125.48 124.46 41.42 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 109.025 -0.732 . . . . 72.52 109.025 174.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 7.2 p -146.41 -164.6 2.01 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.006 -0.543 . . . . 74.25 110.334 -176.653 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 95.11 175.37 37.77 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 121.164 -0.541 . . . . 72.23 113.095 171.711 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -68.25 -174.83 0.71 Allowed 'Trans proline' 0 C--N 1.345 0.36 0 C-N-CA 123.125 2.55 . . . . 73.21 111.738 176.525 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 9.9 p -97.75 -25.35 4.13 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.754 0 C-N-CA 120.514 -0.474 . . . . 74.35 110.401 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 43.1 p-80 -76.86 -24.91 52.61 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.998 0.428 . . . . 71.52 110.022 179.353 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -160.62 74.25 2.79 Favored Pre-proline 0 C--N 1.327 -0.37 0 CA-C-N 115.804 -0.635 . . . . 75.31 110.108 179.076 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' PRO . . . . . 0.619 ' O ' ' HA ' ' A' ' 108' ' ' ARG . 11.5 Cg_exo -65.42 166.86 18.21 Favored 'Trans proline' 0 N--CA 1.454 -0.802 0 C-N-CA 121.886 1.724 . . . . 73.51 112.115 -176.254 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.452 HD13 ' NE2' ' A' ' 106' ' ' GLN . 2.9 tm? -113.35 112.19 23.26 Favored 'General case' 0 C--N 1.314 -0.96 0 CA-C-N 115.475 -0.784 . . . . 71.13 109.26 179.713 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . 0.473 ' O ' ' HA ' ' A' ' 106' ' ' GLN . 34.0 m-85 -104.14 131.74 51.1 Favored 'General case' 0 C--N 1.314 -0.958 0 CA-C-N 115.1 -0.954 . . . . 72.14 108.958 179.489 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 19.7 m -113.27 104.85 12.74 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-O 121.313 0.578 . . . . 72.42 110.923 -178.183 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 5.7 mm -99.6 130.11 49.13 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.674 0 CA-C-N 115.336 -0.847 . . . . 62.03 110.055 179.124 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' SER . . . . . 0.622 ' CB ' ' HD3' ' A' ' 102' ' ' LYS . 0.1 OUTLIER -107.96 120.77 43.23 Favored 'General case' 0 C--N 1.312 -1.038 0 CA-C-N 115.537 -0.756 . . . . 73.32 109.616 175.507 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . 0.434 ' HB ' ' CD1' ' A' ' 78' ' ' TYR . 10.1 p -110.14 124.81 67.19 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.822 0 C-N-CA 120.347 -0.541 . . . . 73.33 110.316 178.324 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 15.5 tt0 -95.47 113.57 25.24 Favored 'General case' 0 C--N 1.315 -0.9 0 N-CA-C 108.991 -0.744 . . . . 63.43 108.991 179.895 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . 0.404 HG22 HG23 ' A' ' 96' ' ' VAL . 32.7 t -134.29 123.51 43.43 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.775 0 CA-C-N 116.288 -0.414 . . . . 75.32 110.492 -175.885 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 20.1 t70 63.71 16.71 9.94 Favored 'General case' 0 CA--C 1.532 0.284 0 CA-C-O 121.46 0.648 . . . . 73.04 110.469 176.659 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 96.83 -11.68 66.13 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.873 -0.679 . . . . 71.44 112.208 -179.162 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 7.4 mm-40 -96.99 132.98 42.26 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.852 0.358 . . . . 72.14 110.34 177.266 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . 0.622 ' HD3' ' CB ' ' A' ' 95' ' ' SER . 2.0 tmmm? -94.97 113.4 25.1 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 121.055 0.455 . . . . 73.12 109.824 178.606 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' TYR . . . . . 0.406 ' HB3' ' HB ' ' A' ' 120' ' ' THR . 63.5 m-85 -100.63 141.84 32.93 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.79 -0.641 . . . . 71.24 109.656 177.519 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 13.7 tp -114.02 144.67 42.72 Favored 'General case' 0 C--N 1.32 -0.683 0 C-N-CA 120.731 -0.387 . . . . 75.23 110.905 -174.682 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . 0.555 ' HA3' ' N ' ' A' ' 117' ' ' ALA . . . -142.52 136.21 7.05 Favored Glycine 0 N--CA 1.446 -0.672 0 N-CA-C 111.559 -0.616 . . . . 74.03 111.559 177.882 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . 0.473 ' HA ' ' O ' ' A' ' 92' ' ' PHE . 26.4 mt-30 -124.4 112.17 16.61 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.899 0.38 . . . . 73.14 110.408 -175.773 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -125.58 -172.64 13.46 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.965 -0.636 . . . . 72.5 112.371 -175.785 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . 0.619 ' HA ' ' O ' ' A' ' 90' ' ' PRO . 45.3 mmt-85 -90.33 -3.7 57.58 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.213 0.53 . . . . 72.42 110.939 -178.239 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 109' ' ' SER . . . . . 0.417 ' HB2' HG22 ' A' ' 112' ' ' VAL . 48.8 m -155.64 165.74 35.65 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 108.265 -1.013 . . . . 54.43 108.265 -178.882 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . 0.507 ' HE2' HD23 ' A' ' 80' ' ' LEU . 99.0 mttt -57.53 -43.28 84.23 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.293 0.568 . . . . 75.4 110.121 178.327 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 74.1 tttt -61.83 -48.84 78.75 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.2 -0.909 . . . . 75.12 110.752 179.469 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . 0.629 ' O ' ' HG2' ' A' ' 116' ' ' GLU . 45.1 t -61.86 -47.26 94.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 115.696 -0.684 . . . . 75.31 110.231 179.925 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -59.97 -38.33 82.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.09 -0.505 . . . . 75.52 111.105 179.685 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 16.8 ttm180 -60.3 -42.65 95.98 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.885 -0.598 . . . . 74.12 110.219 176.836 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 68.8 mt -61.49 -51.83 68.27 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.281 0 CA-C-N 115.762 -0.654 . . . . 72.54 110.722 175.041 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . 0.629 ' HG2' ' O ' ' A' ' 112' ' ' VAL . 5.2 mm-40 -57.96 -39.16 77.45 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 120.891 0.377 . . . . 72.04 111.268 -178.911 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . 0.555 ' N ' ' HA3' ' A' ' 105' ' ' GLY . . . -63.21 -44.99 93.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.133 0.492 . . . . 63.45 110.813 178.332 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . 0.55 ' O ' ' HG ' ' A' ' 122' ' ' LEU . . . -66.35 -30.22 70.57 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.538 -0.756 . . . . 75.24 110.934 179.522 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -60.43 -42.82 96.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.121 -0.491 . . . . 54.1 110.731 178.372 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 120' ' ' THR . . . . . 0.482 ' O ' ' HG2' ' A' ' 123' ' ' ARG . 31.6 m -63.04 -42.01 99.65 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.21 0.529 . . . . 70.12 110.657 177.796 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -61.45 -44.86 96.37 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.995 -0.548 . . . . 70.2 110.994 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . 0.55 ' HG ' ' O ' ' A' ' 118' ' ' ALA . 65.3 mt -57.88 -45.22 86.7 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.145 -0.479 . . . . 72.54 111.39 -177.779 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 123' ' ' ARG . . . . . 0.482 ' HG2' ' O ' ' A' ' 120' ' ' THR . 13.0 ptt180 -67.95 -20.27 65.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.76 0.314 . . . . 74.31 110.777 -175.689 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 27.1 m -78.71 -27.64 44.95 Favored 'General case' 0 N--CA 1.441 -0.879 0 CA-C-O 120.723 0.297 . . . . 61.3 111.545 176.308 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 27.1 m-85 -89.6 -57.95 2.69 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.961 0.41 . . . . 64.54 111.299 -177.47 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 126' ' ' ILE . . . . . 0.406 HD13 ' H ' ' A' ' 126' ' ' ILE . 0.2 OUTLIER . . . . . 0 C--N 1.323 -0.578 0 CA-C-O 120.788 0.327 . . . . 71.43 110.193 -178.339 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . 0.504 ' ND2' ' HB ' ' A' ' 66' ' ' VAL . 15.8 p-10 . . . . . 0 N--CA 1.452 -0.37 0 CA-C-O 121.409 0.623 . . . . 64.54 110.869 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 33.8 p -65.8 -24.07 66.84 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 115.078 -0.964 . . . . 73.13 110.908 -179.393 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.504 ' HB ' ' ND2' ' A' ' 64' ' ' ASN . 38.8 t -56.85 -46.17 83.46 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 CA-C-N 115.442 -0.799 . . . . 65.32 110.353 176.512 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . 0.539 ' O ' ' HG2' ' A' ' 71' ' ' GLU . . . -65.12 -39.68 93.42 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.417 -0.811 . . . . 73.12 110.217 178.488 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 82.6 mmm -58.93 -40.31 84.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.438 -0.801 . . . . 74.13 111.055 179.067 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.743 HD13 ' HH ' ' A' ' 78' ' ' TYR . 3.6 mt -65.58 -33.16 75.27 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.178 -0.464 . . . . 73.55 111.359 -179.849 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 26.1 m-80 -71.04 -19.97 62.43 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.181 0.515 . . . . 72.44 110.241 179.871 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . 0.539 ' HG2' ' O ' ' A' ' 67' ' ' ALA . 19.2 mm-40 -84.23 -25.44 29.44 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.552 -0.749 . . . . 63.55 110.59 177.229 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 71.4 mt -96.26 -47.02 6.19 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 112.291 0.478 . . . . 74.24 112.291 -174.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 75.1 mmt-85 -130.89 161.13 32.53 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.259 0.552 . . . . 65.14 111.318 -179.615 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 5.5 p-80 -122.5 153.79 38.71 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 115.259 -0.882 . . . . 62.31 109.194 173.207 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 92.74 17.72 43.64 Favored Glycine 0 N--CA 1.445 -0.721 0 C-N-CA 120.341 -0.933 . . . . 75.25 111.651 -177.866 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . 0.854 ' H ' HD23 ' A' ' 76' ' ' LEU . 1.3 pt? -85.01 133.26 34.25 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 110.032 -0.359 . . . . 64.22 110.032 179.03 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 2.6 mp -126.28 109.72 21.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 116.506 -0.316 . . . . 74.42 110.532 -178.689 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . 0.743 ' HH ' HD13 ' A' ' 69' ' ' LEU . 96.7 m-85 -86.81 119.41 27.01 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 109.864 -0.421 . . . . 74.31 109.864 176.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 16.6 ptpt -132.43 136.02 46.47 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-O 121.027 0.441 . . . . 72.33 110.749 -179.021 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 47.1 tp -79.23 100.33 7.45 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 109.308 -0.627 . . . . 64.43 109.308 175.845 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -92.48 -21.06 20.36 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 120.881 0.372 . . . . 72.44 111.739 -174.167 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' SER . . . . . 0.535 ' HB2' ' HB ' ' A' ' 93' ' ' THR . 25.1 m -148.36 141.12 24.62 Favored 'General case' 0 C--N 1.319 -0.742 0 N-CA-C 109.95 -0.389 . . . . 71.04 109.95 178.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 21.3 tm0? -148.88 103.44 3.36 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 108.842 -0.799 . . . . 71.05 108.842 177.295 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 20.0 p -148.2 164.2 34.66 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.829 -0.623 . . . . 73.3 110.473 -175.516 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 129.78 -165.92 22.1 Favored Glycine 0 N--CA 1.445 -0.753 0 C-N-CA 120.277 -0.963 . . . . 71.44 112.517 174.493 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -75.24 172.24 16.73 Favored 'Trans proline' 0 N--CA 1.462 -0.354 0 C-N-CA 123.046 2.497 . . . . 73.45 111.668 177.755 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 10.5 p -90.21 -18.97 7.44 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 C-N-CA 120.842 -0.343 . . . . 70.22 110.566 -179.791 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 35.4 p-80 -79.2 -23.64 43.7 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-O 120.871 0.367 . . . . 74.41 110.413 178.039 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . 0.528 ' HB1' ' HD2' ' A' ' 108' ' ' ARG . . . -159.91 75.9 2.95 Favored Pre-proline 0 C--N 1.327 -0.391 0 CA-C-N 116.105 -0.498 . . . . 71.21 110.475 179.561 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' PRO . . . . . 0.526 ' O ' ' HA ' ' A' ' 108' ' ' ARG . 3.7 Cg_exo -69.31 146.27 62.4 Favored 'Trans proline' 0 N--CA 1.455 -0.753 0 C-N-CA 122.127 1.884 . . . . 72.32 111.35 -179.249 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -98.92 114.9 27.73 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-O 121.476 0.655 . . . . 73.44 109.668 -179.573 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . 0.451 ' O ' ' HA ' ' A' ' 106' ' ' GLN . 10.3 m-85 -101.37 134.67 44.09 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 115.085 -0.961 . . . . 64.14 108.673 178.345 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' THR . . . . . 0.535 ' HB ' ' HB2' ' A' ' 82' ' ' SER . 19.6 m -119.37 103.25 9.3 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-O 120.992 0.425 . . . . 73.11 110.296 -177.514 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 8.5 mm -100.58 129.15 51.85 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.712 0 CA-C-N 115.619 -0.719 . . . . 75.03 109.547 179.242 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' SER . . . . . 0.527 ' HB2' ' HD3' ' A' ' 102' ' ' LYS . 3.3 p -113.53 134.86 54.45 Favored 'General case' 0 C--N 1.314 -0.936 0 CA-C-O 120.968 0.413 . . . . 74.24 110.239 175.38 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . 0.433 HG13 ' HB1' ' A' ' 117' ' ' ALA . 7.7 p -132.17 128.51 59.05 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.876 0 CA-C-N 115.814 -0.63 . . . . 72.13 109.89 176.152 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 20.6 tt0 -97.12 112.3 24.14 Favored 'General case' 0 C--N 1.314 -0.942 0 N-CA-C 109.523 -0.547 . . . . 64.25 109.523 178.634 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 59.3 t -123.07 123.6 68.29 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.891 0 CA-C-N 115.513 -0.767 . . . . 74.34 110.408 -175.591 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 20.0 t70 68.84 2.66 3.61 Favored 'General case' 0 CA--C 1.533 0.291 0 CA-C-N 115.782 -0.645 . . . . 70.22 111.222 175.132 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 116.35 -17.68 14.16 Favored Glycine 0 N--CA 1.449 -0.465 0 C-N-CA 121.095 -0.574 . . . . 62.42 111.921 -177.502 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' GLN . . . . . 0.415 ' HA ' ' NE2' ' A' ' 101' ' ' GLN . 13.9 mm-40 -97.56 138.66 34.64 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 120.819 0.342 . . . . 74.44 110.8 179.5 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . 0.527 ' HD3' ' HB2' ' A' ' 95' ' ' SER . 3.2 tmmm? -100.42 109.08 21.22 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 121.106 0.479 . . . . 74.1 109.774 -177.338 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' TYR . . . . . 0.421 ' CE1' ' HA ' ' A' ' 121' ' ' ALA . 67.5 m-85 -97.82 129.56 44.79 Favored 'General case' 0 C--N 1.315 -0.931 0 CA-C-N 115.561 -0.745 . . . . 74.23 109.844 -179.038 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . 0.478 ' CD1' ' HB3' ' A' ' 95' ' ' SER . 14.2 tp -106.8 136.29 46.87 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.096 -0.502 . . . . 73.02 110.166 -176.598 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -127.02 129.86 6.69 Favored Glycine 0 N--CA 1.447 -0.582 0 C-N-CA 120.931 -0.652 . . . . 74.03 111.719 -179.323 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . 0.451 ' HA ' ' O ' ' A' ' 92' ' ' PHE . 22.2 mt-30 -124.09 114.74 20.1 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-O 120.814 0.34 . . . . 73.43 110.73 -176.094 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -137.04 -171.8 12.31 Favored Glycine 0 N--CA 1.449 -0.469 0 CA-C-N 115.969 -0.559 . . . . 73.31 112.195 -177.399 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . 0.528 ' HD2' ' HB1' ' A' ' 89' ' ' ALA . 36.0 mmt180 -91.69 0.71 57.47 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.993 0.425 . . . . 75.44 111.315 -176.843 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 39.7 m -158.57 165.13 35.25 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 108.999 -0.741 . . . . 75.23 108.999 179.37 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 88.7 mttt -53.37 -43.22 67.63 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-O 121.245 0.545 . . . . 64.32 110.146 177.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 79.6 tttt -61.75 -53.13 60.19 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 114.909 -1.042 . . . . 75.12 111.176 -178.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 24.0 t -58.14 -49.4 81.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.045 -0.525 . . . . 75.12 110.704 -179.599 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -62.89 -37.71 88.02 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.97 -0.559 . . . . 72.14 111.5 -177.794 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 10.0 ttm180 -64.09 -50.53 67.96 Favored 'General case' 0 C--N 1.323 -0.543 0 CA-C-N 115.703 -0.68 . . . . 75.42 110.295 179.371 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 77.2 mt -56.24 -45.15 81.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 115.257 -0.883 . . . . 75.34 111.321 174.099 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -57.91 -45.21 86.85 Favored 'General case' 0 C--O 1.236 0.348 0 CA-C-O 120.783 0.325 . . . . 63.42 111.475 178.163 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . 0.433 ' HB1' HG13 ' A' ' 96' ' ' VAL . . . -61.32 -44.72 96.73 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.099 0.476 . . . . 73.54 110.631 178.776 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . 0.444 ' O ' ' HG ' ' A' ' 122' ' ' LEU . . . -67.82 -36.89 81.18 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.844 -0.616 . . . . 65.43 111.155 -179.616 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -62.67 -37.48 86.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.051 0.453 . . . . 74.23 110.495 178.687 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 29.6 m -64.0 -40.03 95.44 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.603 -0.726 . . . . 74.12 110.313 177.735 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . 0.421 ' HA ' ' CE1' ' A' ' 103' ' ' TYR . . . -64.92 -48.31 74.6 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.887 -0.597 . . . . 63.35 110.822 178.311 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . 0.444 ' HG ' ' O ' ' A' ' 118' ' ' ALA . 61.7 mt -57.78 -46.33 84.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.976 -0.556 . . . . 74.44 111.093 -178.922 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 123' ' ' ARG . . . . . 0.427 HH11 ' HD3' ' A' ' 123' ' ' ARG . 13.6 ptt180 -73.14 -10.91 60.28 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.426 -0.352 . . . . 75.34 111.162 -177.308 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 12.7 t -84.22 -26.3 28.81 Favored 'General case' 0 N--CA 1.449 -0.505 0 N-CA-C 109.647 -0.501 . . . . 72.34 109.647 174.619 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 28.9 m-85 -86.26 -60.46 2.0 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.969 -0.559 . . . . 75.41 110.169 178.47 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.465 0 CA-C-N 115.766 -0.652 . . . . 64.41 110.934 -173.731 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . 0.577 ' ND2' ' HB ' ' A' ' 66' ' ' VAL . 20.3 p-10 . . . . . 0 CA--C 1.516 -0.329 0 CA-C-O 121.647 0.737 . . . . 73.11 110.743 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 40.8 p -59.81 -23.53 63.41 Favored 'General case' 0 C--N 1.316 -0.876 0 CA-C-N 114.674 -1.148 . . . . 74.43 111.328 179.215 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.577 ' HB ' ' ND2' ' A' ' 64' ' ' ASN . 65.7 t -57.6 -49.19 81.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 115.398 -0.819 . . . . 71.44 110.872 176.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . 0.644 ' HA ' ' OD1' ' A' ' 70' ' ' ASN . . . -66.64 -32.41 73.72 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.079 0.466 . . . . 72.32 110.379 -179.786 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 78.7 mmm -60.71 -41.74 95.85 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.731 -0.668 . . . . 74.3 110.258 175.79 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.876 HD12 ' HH ' ' A' ' 78' ' ' TYR . 7.3 mt -64.14 -33.08 74.96 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.061 -0.518 . . . . 70.32 110.998 176.851 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . 0.644 ' OD1' ' HA ' ' A' ' 67' ' ' ALA . 12.1 m120 -62.45 -33.18 74.32 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.298 0.57 . . . . 74.22 109.949 -177.415 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -83.46 -24.51 31.78 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.173 -0.921 . . . . 74.51 110.759 -176.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 69.5 mt -85.85 -70.41 0.6 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.35 -0.386 . . . . 63.21 111.792 -177.107 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 7.0 mmm180 -133.21 141.27 47.98 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.64 -0.255 . . . . 74.02 110.619 -171.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 2.5 p-80 -94.57 176.88 6.12 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.483 -0.326 . . . . 72.45 110.141 175.657 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 85.76 9.12 78.68 Favored Glycine 0 N--CA 1.448 -0.511 0 C-N-CA 120.777 -0.725 . . . . 63.12 111.534 -177.117 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . 0.756 ' H ' HD23 ' A' ' 76' ' ' LEU . 1.9 pt? -77.1 120.61 22.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.386 0.613 . . . . 72.13 111.152 -178.066 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . 0.697 ' O ' ' HA ' ' A' ' 96' ' ' VAL . 2.9 mt -114.37 111.28 35.27 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-N 115.911 -0.586 . . . . 71.24 110.784 179.52 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . 0.876 ' HH ' HD12 ' A' ' 69' ' ' LEU . 98.8 m-85 -89.88 110.6 21.54 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.836 0.351 . . . . 74.11 110.086 174.525 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 38.8 pttt -132.91 130.14 39.26 Favored 'General case' 0 C--N 1.316 -0.875 0 CA-C-N 116.251 -0.431 . . . . 64.21 110.806 -179.21 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.527 HD23 ' HB2' ' A' ' 83' ' ' GLN . 28.2 tp -72.22 107.13 4.7 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 109.218 -0.66 . . . . 75.54 109.218 175.721 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -91.09 -22.26 20.81 Favored 'General case' 0 C--N 1.319 -0.721 0 C-N-CA 120.479 -0.488 . . . . 75.13 111.253 -176.82 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 49.2 m -151.95 141.73 21.92 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.724 -0.216 . . . . 74.35 110.64 179.35 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . 0.527 ' HB2' HD23 ' A' ' 80' ' ' LEU . 0.5 OUTLIER -135.64 104.82 5.93 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 109.405 -0.591 . . . . 74.15 109.405 177.499 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 3.6 p -135.52 -163.88 1.46 Allowed 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.695 -0.684 . . . . 71.14 110.527 -176.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 104.19 -174.43 22.2 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.898 -0.668 . . . . 41.1 112.99 171.08 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 59.1 Cg_endo -72.25 -178.58 3.35 Favored 'Trans proline' 0 N--CA 1.462 -0.327 0 C-N-CA 122.752 2.302 . . . . 74.4 111.824 177.11 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 13.4 p -95.98 -23.91 4.77 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 C-N-CA 120.535 -0.466 . . . . 62.24 110.553 179.212 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 36.5 p-80 -75.45 -25.54 57.54 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-O 120.801 0.334 . . . . 75.41 110.364 178.036 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -162.08 75.98 2.2 Favored Pre-proline 0 CA--C 1.518 -0.286 0 CA-C-N 116.151 -0.477 . . . . 74.11 110.168 -178.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' PRO . . . . . 0.558 ' O ' ' HA ' ' A' ' 108' ' ' ARG . 6.6 Cg_exo -64.13 151.23 86.21 Favored 'Trans proline' 0 N--CA 1.453 -0.907 0 C-N-CA 121.86 1.706 . . . . 70.22 111.971 -176.769 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -95.17 115.2 27.12 Favored 'General case' 0 N--CA 1.441 -0.917 0 N-CA-C 109.071 -0.715 . . . . 74.25 109.071 -179.537 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . 0.411 ' O ' ' HA ' ' A' ' 106' ' ' GLN . 17.4 m-85 -101.95 132.15 47.93 Favored 'General case' 0 C--N 1.311 -1.072 0 CA-C-N 115.38 -0.827 . . . . 75.21 108.991 179.211 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 23.7 m -113.63 96.99 6.15 Favored 'General case' 0 N--CA 1.442 -0.867 0 CA-C-O 121.035 0.445 . . . . 74.14 109.988 -177.563 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . 0.54 HG23 ' HA ' ' A' ' 114' ' ' ARG . 7.1 mm -95.07 127.77 46.77 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.862 0 CA-C-N 115.56 -0.746 . . . . 73.34 109.348 179.39 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' SER . . . . . 0.505 ' HB2' ' HD3' ' A' ' 102' ' ' LYS . 19.0 p -107.42 121.91 45.54 Favored 'General case' 0 C--N 1.306 -1.306 0 CA-C-N 115.453 -0.794 . . . . 72.44 109.344 177.747 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . 0.697 ' HA ' ' O ' ' A' ' 77' ' ' ILE . 9.6 p -113.6 115.79 50.73 Favored 'Isoleucine or valine' 0 N--CA 1.439 -0.983 0 CA-C-O 121.821 0.82 . . . . 74.15 109.876 175.559 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . 0.54 ' HA ' ' HA ' ' A' ' 102' ' ' LYS . 5.4 tt0 -92.37 110.11 21.51 Favored 'General case' 0 C--N 1.307 -1.27 0 CA-C-N 115.336 -0.847 . . . . 74.41 109.391 -179.82 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 24.6 t -119.22 123.62 71.64 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.684 0 CA-C-N 115.493 -0.776 . . . . 71.24 110.491 -174.444 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 1.2 t70 59.72 17.29 6.2 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.468 -0.787 . . . . 71.11 111.402 178.896 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 104.92 -12.17 49.41 Favored Glycine 0 N--CA 1.449 -0.452 0 C-N-CA 121.007 -0.616 . . . . 75.13 112.685 -179.203 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' GLN . . . . . 0.441 ' HB3' ' CE2' ' A' ' 103' ' ' TYR . 3.4 tp60 -100.44 124.91 46.58 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 109.766 -0.457 . . . . 63.23 109.766 -179.781 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . 0.54 ' HA ' ' HA ' ' A' ' 97' ' ' GLU . 5.2 tmmm? -88.44 109.26 19.88 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 121.119 0.485 . . . . 73.55 110.656 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' TYR . . . . . 0.441 ' CE2' ' HB3' ' A' ' 101' ' ' GLN . 86.2 m-85 -95.55 135.25 37.45 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.482 -0.781 . . . . 74.32 109.563 178.055 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 12.1 tp -105.32 137.03 43.77 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 120.995 0.426 . . . . 73.31 111.031 -175.441 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . 0.508 ' HA3' ' N ' ' A' ' 117' ' ' ALA . . . -131.6 129.26 5.61 Favored Glycine 0 N--CA 1.445 -0.717 0 N-CA-C 111.415 -0.674 . . . . 53.41 111.415 178.055 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . 0.411 ' HA ' ' O ' ' A' ' 92' ' ' PHE . 25.9 mt-30 -120.46 116.13 24.83 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-O 120.911 0.386 . . . . 54.34 110.797 -175.038 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -133.67 -169.22 12.04 Favored Glycine 0 N--CA 1.446 -0.672 0 CA-C-N 115.697 -0.683 . . . . 71.43 111.792 -177.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . 0.558 ' HA ' ' O ' ' A' ' 90' ' ' PRO . 11.1 mmt180 -100.5 6.13 44.24 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.275 0.56 . . . . 73.23 110.866 -176.932 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 109' ' ' SER . . . . . 0.435 ' HB2' HG23 ' A' ' 112' ' ' VAL . 16.0 m -159.56 163.71 34.89 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 108.169 -1.049 . . . . 63.52 108.169 176.455 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 86.8 mttt -57.06 -41.15 78.23 Favored 'General case' 0 C--N 1.331 -0.222 0 N-CA-C 109.405 -0.591 . . . . 75.53 109.405 174.89 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 72.1 tttt -55.36 -53.53 55.0 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-N 114.982 -1.008 . . . . 72.55 110.544 177.859 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . 0.702 ' O ' ' HG2' ' A' ' 116' ' ' GLU . 24.6 t -62.17 -55.57 23.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 115.278 -0.874 . . . . 74.23 110.532 -178.946 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -56.68 -36.65 69.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.863 -0.608 . . . . 74.32 111.859 -175.405 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 114' ' ' ARG . . . . . 0.54 ' HA ' HG23 ' A' ' 94' ' ' ILE . 34.9 ttp180 -61.2 -48.07 83.22 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.956 -0.565 . . . . 74.11 110.227 178.294 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 69.4 mt -62.4 -46.41 96.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 115.452 -0.795 . . . . 72.13 111.402 175.238 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . 0.702 ' HG2' ' O ' ' A' ' 112' ' ' VAL . 12.8 mm-40 -60.08 -36.59 77.72 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.975 0.417 . . . . 75.11 111.34 -179.512 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . 0.508 ' N ' ' HA3' ' A' ' 105' ' ' GLY . . . -63.04 -49.48 74.41 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.844 -0.617 . . . . 73.21 110.653 176.757 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . 0.511 ' O ' ' HG ' ' A' ' 122' ' ' LEU . . . -63.7 -31.96 73.29 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.373 -0.83 . . . . 72.12 110.922 179.58 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -60.82 -41.51 95.86 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.159 -0.473 . . . . 54.12 110.818 177.832 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 120' ' ' THR . . . . . 0.741 ' HA ' ' HE ' ' A' ' 123' ' ' ARG . 85.8 m -68.33 -38.62 81.72 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.034 0.445 . . . . 74.34 110.586 177.787 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -57.88 -50.51 73.08 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.937 -0.574 . . . . 72.41 110.859 177.009 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . 0.511 ' HG ' ' O ' ' A' ' 118' ' ' ALA . 75.8 mt -56.41 -52.62 63.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.994 -0.548 . . . . 75.53 111.089 -179.193 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 123' ' ' ARG . . . . . 0.741 ' HE ' ' HA ' ' A' ' 120' ' ' THR . 14.2 ptt180 -70.14 -6.26 32.91 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.266 -0.424 . . . . 65.44 111.862 -175.361 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -94.41 -21.24 19.06 Favored 'General case' 0 N--CA 1.448 -0.563 0 N-CA-C 109.658 -0.497 . . . . 74.12 109.658 175.488 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 28.7 m-85 -85.43 -44.54 12.66 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 63.4 110.455 177.753 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 126' ' ' ILE . . . . . 0.492 HD13 ' O ' ' A' ' 122' ' ' LEU . 0.2 OUTLIER . . . . . 0 C--N 1.323 -0.549 0 CA-C-O 121.131 0.491 . . . . 72.35 110.327 176.826 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 25.3 p-10 . . . . . 0 CA--C 1.511 -0.547 0 N-CA-C 108.924 -0.769 . . . . 73.33 108.924 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 41.5 p -64.07 -21.97 66.74 Favored 'General case' 0 C--N 1.311 -1.084 0 CA-C-N 114.991 -1.004 . . . . 74.31 111.436 -175.491 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 38.6 t -59.04 -46.69 91.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 115.653 -0.703 . . . . 73.35 110.471 177.812 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -66.89 -38.72 86.79 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.737 -0.665 . . . . 72.04 110.26 178.403 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' MET . . . . . 0.452 ' HB2' HD12 ' A' ' 122' ' ' LEU . 85.1 mmm -58.64 -44.01 89.93 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.576 -0.738 . . . . 73.53 111.053 178.686 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.731 ' HB3' HD13 ' A' ' 76' ' ' LEU . 1.0 OUTLIER -62.22 -35.64 79.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.98 -0.554 . . . . 73.52 111.245 -179.368 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . 0.437 ' ND2' HD12 ' A' ' 76' ' ' LEU . 22.8 m-80 -70.07 -22.69 63.03 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.284 0.564 . . . . 64.51 110.357 -178.768 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -81.13 -34.47 32.49 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.587 -0.733 . . . . 62.25 110.349 178.191 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 67.8 mt -81.4 -59.95 2.45 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.904 -0.589 . . . . 74.32 111.572 -177.584 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 27.2 mmm180 -129.85 164.98 22.95 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 110.219 -0.289 . . . . 74.12 110.219 -174.254 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 12.6 p-80 -119.78 164.37 16.08 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 109.541 -0.54 . . . . 74.43 109.541 175.217 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 85.79 31.53 20.79 Favored Glycine 0 N--CA 1.442 -0.937 0 C-N-CA 120.38 -0.914 . . . . 70.12 111.08 -177.755 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . 0.768 ' H ' HD23 ' A' ' 76' ' ' LEU . 1.3 pt? -98.06 101.67 13.21 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.203 0.525 . . . . 75.33 110.397 -179.518 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 4.6 mp -102.01 110.8 29.71 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 CA-C-N 116.254 -0.43 . . . . 74.24 110.551 -178.349 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . 0.46 ' HH ' HD11 ' A' ' 69' ' ' LEU . 81.5 m-85 -86.22 129.3 34.89 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.286 -0.416 . . . . 74.21 109.902 176.133 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 13.8 ptpt -139.91 147.21 40.25 Favored 'General case' 0 C--N 1.32 -0.716 0 N-CA-C 110.008 -0.368 . . . . 75.23 110.008 179.224 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.473 HD21 ' HE2' ' A' ' 110' ' ' LYS . 44.9 tp -86.06 104.63 15.83 Favored 'General case' 0 C--N 1.319 -0.738 0 N-CA-C 109.327 -0.62 . . . . 74.13 109.327 175.677 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -90.39 -23.29 21.11 Favored 'General case' 0 C--N 1.325 -0.486 0 C-N-CA 120.187 -0.605 . . . . 74.3 111.71 -176.235 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 48.8 m -153.56 143.87 22.31 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.732 0.301 . . . . 73.51 110.829 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 22.1 tm0? -146.32 111.24 5.29 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 109.406 -0.59 . . . . 75.14 109.406 177.251 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 18.5 p -144.26 146.57 32.73 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.197 -0.456 . . . . 65.31 110.755 -178.404 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 137.05 -179.99 17.41 Favored Glycine 0 N--CA 1.448 -0.525 0 C-N-CA 120.177 -1.011 . . . . 61.42 113.3 173.376 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 40.0 Cg_endo -67.81 -178.2 1.54 Allowed 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 123.208 2.605 . . . . 74.1 112.336 177.467 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 7.6 p -89.33 -30.97 5.25 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-O 120.832 0.348 . . . . 74.0 111.115 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 32.3 p-80 -72.89 -28.08 62.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.048 0.452 . . . . 75.01 110.246 179.373 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -148.68 75.01 10.27 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-N 115.841 -0.618 . . . . 72.25 110.597 178.367 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' PRO . . . . . 0.576 ' O ' ' HA ' ' A' ' 108' ' ' ARG . 1.8 Cg_endo -78.5 134.56 12.54 Favored 'Trans proline' 0 N--CA 1.454 -0.798 0 C-N-CA 122.443 2.095 . . . . 74.53 111.087 177.932 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.414 HD11 ' NE2' ' A' ' 106' ' ' GLN . 3.2 tm? -92.63 113.89 26.3 Favored 'General case' 0 C--N 1.315 -0.909 0 CA-C-O 121.519 0.676 . . . . 70.53 109.997 -178.334 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . 0.481 ' CE1' ' HB2' ' A' ' 90' ' ' PRO . 26.2 m-85 -100.85 134.34 43.97 Favored 'General case' 0 C--N 1.315 -0.911 0 CA-C-N 114.996 -1.002 . . . . 74.15 109.252 177.861 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' THR . . . . . 0.412 HG22 HD13 ' A' ' 104' ' ' LEU . 13.8 m -117.54 98.67 6.51 Favored 'General case' 0 N--CA 1.443 -0.823 0 N-CA-C 109.898 -0.408 . . . . 75.32 109.898 -178.297 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . 0.441 HG21 ' HA ' ' A' ' 114' ' ' ARG . 7.5 mm -96.3 128.78 47.18 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.757 0 CA-C-N 115.684 -0.689 . . . . 73.4 109.927 -179.226 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' SER . . . . . 0.547 ' HB2' ' HD3' ' A' ' 102' ' ' LYS . 1.9 p -109.4 130.09 55.51 Favored 'General case' 0 C--N 1.311 -1.098 0 CA-C-N 115.664 -0.698 . . . . 74.52 110.382 177.827 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . 0.465 HG11 ' HB2' ' A' ' 117' ' ' ALA . 7.7 p -122.96 124.93 71.43 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.843 0 CA-C-O 121.284 0.564 . . . . 72.02 109.939 176.642 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 7.4 tt0 -97.29 111.72 23.84 Favored 'General case' 0 C--N 1.313 -0.981 0 CA-C-N 115.915 -0.584 . . . . 75.52 109.499 -178.857 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 38.2 t -124.64 125.37 69.92 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 CA-C-N 115.941 -0.572 . . . . 72.34 110.605 -174.88 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 12.9 t70 61.21 7.47 1.66 Allowed 'General case' 0 N--CA 1.47 0.537 0 CA-C-N 115.649 -0.705 . . . . 74.12 111.895 178.676 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 113.55 -13.09 23.06 Favored Glycine 0 N--CA 1.447 -0.573 0 C-N-CA 120.732 -0.747 . . . . 74.13 112.317 -179.045 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' GLN . . . . . 0.522 ' HB3' ' CE2' ' A' ' 103' ' ' TYR . 8.7 tp60 -96.89 133.79 41.07 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 109.205 -0.665 . . . . 75.44 109.205 179.449 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . 0.547 ' HD3' ' HB2' ' A' ' 95' ' ' SER . 0.8 OUTLIER -96.62 106.2 18.43 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 121.205 0.526 . . . . 74.01 109.911 179.765 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' TYR . . . . . 0.522 ' CE2' ' HB3' ' A' ' 101' ' ' GLN . 86.8 m-85 -92.4 151.6 20.16 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.563 -0.744 . . . . 75.54 110.222 -178.799 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . 0.412 HD13 HG22 ' A' ' 93' ' ' THR . 12.2 tp -123.16 139.16 54.35 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 120.881 0.372 . . . . 73.32 111.147 -175.03 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . 0.434 ' HA3' ' N ' ' A' ' 117' ' ' ALA . . . -133.87 133.26 6.81 Favored Glycine 0 N--CA 1.445 -0.743 0 N-CA-C 111.554 -0.618 . . . . 73.34 111.554 177.422 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . 0.448 ' HA ' ' O ' ' A' ' 92' ' ' PHE . 25.5 mt-30 -124.19 124.07 41.65 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 120.951 0.405 . . . . 73.42 110.96 -175.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -144.72 -179.75 21.32 Favored Glycine 0 C--O 1.227 -0.286 0 N-CA-C 111.022 -0.831 . . . . 72.42 111.022 -179.738 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . 0.576 ' HA ' ' O ' ' A' ' 90' ' ' PRO . 38.6 mmt-85 -83.76 4.53 28.55 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-N 117.539 0.669 . . . . 74.03 110.668 -179.048 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 67.1 m -160.83 161.33 31.89 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 109.406 -0.59 . . . . 65.34 109.406 -179.885 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . 0.473 ' HE2' HD21 ' A' ' 80' ' ' LEU . 97.0 mttt -54.02 -41.56 68.14 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-O 120.787 0.327 . . . . 71.32 110.466 177.074 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 81.0 tttt -54.64 -56.24 21.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.557 -0.747 . . . . 75.42 111.098 -179.776 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 48.0 t -65.19 -44.69 95.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 115.917 -0.583 . . . . 75.31 110.935 -178.094 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -61.43 -37.07 82.18 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.179 -0.464 . . . . 74.11 111.065 -178.477 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 114' ' ' ARG . . . . . 0.441 ' HA ' HG21 ' A' ' 94' ' ' ILE . 26.3 ttm180 -64.79 -46.28 82.72 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.968 -0.56 . . . . 72.31 110.296 178.658 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 82.6 mt -61.43 -48.75 87.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 115.567 -0.742 . . . . 75.32 110.882 177.007 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 14.1 mm-40 -59.92 -36.79 77.76 Favored 'General case' 0 C--N 1.321 -0.639 0 O-C-N 122.186 -0.321 . . . . 73.12 111.43 178.86 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . 0.465 ' HB2' HG11 ' A' ' 96' ' ' VAL . . . -61.51 -48.5 80.76 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.123 0.487 . . . . 64.42 110.275 176.038 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . 0.45 ' O ' ' HG ' ' A' ' 122' ' ' LEU . . . -66.47 -36.27 82.34 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.559 -0.746 . . . . 75.45 111.384 179.731 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -61.88 -38.39 88.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 74.04 110.441 178.62 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 22.8 m -64.01 -38.47 91.2 Favored 'General case' 0 N--CA 1.45 -0.436 0 CA-C-N 115.757 -0.656 . . . . 71.25 110.337 178.352 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -67.09 -47.35 71.49 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.084 -0.507 . . . . 72.4 110.716 177.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . 0.452 HD12 ' HB2' ' A' ' 68' ' ' MET . 42.6 mt -55.64 -49.65 72.3 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-N 116.179 -0.464 . . . . 74.13 111.089 -179.711 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 12.9 ptm180 -71.77 -13.14 61.62 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.907 -0.588 . . . . 74.2 111.53 -175.315 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 52.5 m -81.16 -29.91 34.56 Favored 'General case' 0 N--CA 1.438 -1.066 0 CA-C-O 121.043 0.449 . . . . 72.32 110.549 174.829 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 20.6 m-85 -81.6 -55.69 4.49 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.805 -0.634 . . . . 70.53 110.063 -178.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.514 -0.409 0 CA-C-O 121.333 0.587 . . . . 71.12 110.96 -177.811 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . 0.408 ' OD1' ' HB2' ' A' ' 67' ' ' ALA . 17.8 p30 . . . . . 0 N--CA 1.453 -0.28 0 CA-C-O 121.81 0.814 . . . . 72.11 110.821 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' THR . . . . . 0.508 ' HA ' ' HG3' ' A' ' 68' ' ' MET . 23.2 p -66.48 -25.08 66.53 Favored 'General case' 0 C--N 1.312 -1.045 0 CA-C-N 114.697 -1.138 . . . . 64.14 111.14 -179.686 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.447 HG12 ' HD2' ' A' ' 114' ' ' ARG . 4.1 m -66.65 -32.16 56.79 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-N 116.04 -0.527 . . . . 71.51 110.696 -178.931 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . 0.408 ' HB2' ' OD1' ' A' ' 64' ' ' ASN . . . -76.0 -33.44 59.7 Favored 'General case' 0 N--CA 1.449 -0.477 0 N-CA-C 109.882 -0.414 . . . . 51.55 109.882 177.557 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' MET . . . . . 0.508 ' HG3' ' HA ' ' A' ' 65' ' ' THR . 21.6 mtp -63.52 -35.29 80.0 Favored 'General case' 0 C--N 1.332 -0.177 0 N-CA-C 109.707 -0.479 . . . . 64.3 109.707 176.697 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.739 HD11 ' HH ' ' A' ' 78' ' ' TYR . 6.2 mt -63.94 -38.88 92.7 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.072 -0.513 . . . . 74.55 110.967 175.649 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 28.6 m-80 -68.73 -20.94 64.41 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-O 121.381 0.61 . . . . 74.21 110.417 -179.253 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 27.7 mm-40 -80.04 -26.58 39.69 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.393 -0.821 . . . . 74.41 110.392 175.527 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.403 ' HG ' ' O ' ' A' ' 68' ' ' MET . 86.1 mt -95.82 -68.51 0.8 Allowed 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.753 -0.658 . . . . 72.25 111.537 -175.135 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 31.0 mmm180 -133.61 137.47 45.45 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.215 -0.448 . . . . 74.33 110.94 -170.618 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 2.1 p-80 -88.21 174.54 8.15 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 110.042 -0.355 . . . . 72.2 110.042 175.446 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 79.52 32.66 37.16 Favored Glycine 0 N--CA 1.446 -0.693 0 C-N-CA 120.326 -0.94 . . . . 72.14 111.676 -178.432 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . 0.747 ' H ' HD23 ' A' ' 76' ' ' LEU . 1.1 pt? -95.22 89.95 5.69 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.469 0.652 . . . . 74.15 110.344 179.842 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . 0.464 ' O ' ' HA ' ' A' ' 96' ' ' VAL . 4.3 mp -92.48 105.94 17.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 116.066 -0.515 . . . . 62.45 110.839 -177.788 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . 0.739 ' HH ' HD11 ' A' ' 69' ' ' LEU . 92.1 m-85 -84.9 142.12 29.93 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 109.546 -0.539 . . . . 74.45 109.546 174.462 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 7.3 ptpp? -154.52 141.26 19.04 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 110.238 -0.282 . . . . 74.11 110.238 177.197 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.436 HD23 ' HE2' ' A' ' 110' ' ' LYS . 45.0 tp -80.15 99.39 7.75 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 109.243 -0.651 . . . . 75.11 109.243 175.88 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 2.6 pt-20 -87.79 -33.31 18.69 Favored 'General case' 0 C--N 1.323 -0.578 0 C-N-CA 120.701 -0.399 . . . . 73.14 111.12 -176.55 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' SER . . . . . 0.526 ' HB2' ' HB ' ' A' ' 93' ' ' THR . 18.1 m -139.07 142.2 38.18 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.309 -0.405 . . . . 75.3 110.261 -177.08 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 22.3 tm0? -149.07 112.17 4.91 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 109.53 -0.544 . . . . 71.12 109.53 177.003 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 24.4 p -141.53 160.03 41.0 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.124 -0.489 . . . . 72.13 110.794 -177.509 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 124.35 -179.96 15.96 Favored Glycine 0 N--CA 1.45 -0.431 0 C-N-CA 120.607 -0.806 . . . . 75.31 112.473 173.901 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 56.9 Cg_endo -70.94 176.21 7.98 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.934 2.423 . . . . 74.4 111.669 178.099 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 7.3 p -90.77 -19.89 7.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-O 121.097 0.475 . . . . 75.44 110.827 -178.666 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 26.2 p-80 -80.28 -24.23 40.19 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.039 0.447 . . . . 74.41 109.996 177.88 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -155.72 75.14 5.09 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-N 116.068 -0.514 . . . . 73.24 110.648 178.32 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 0.9 OUTLIER -77.91 164.09 27.91 Favored 'Trans proline' 0 N--CA 1.453 -0.871 0 C-N-CA 122.219 1.946 . . . . 64.31 112.042 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.429 HD12 ' HB3' ' A' ' 106' ' ' GLN . 2.6 tm? -118.59 117.07 27.99 Favored 'General case' 0 C--N 1.315 -0.929 0 CA-C-N 116.012 -0.54 . . . . 73.24 109.759 179.679 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . 0.471 ' O ' ' HA ' ' A' ' 106' ' ' GLN . 18.4 m-85 -102.77 134.95 45.32 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-N 115.468 -0.787 . . . . 74.42 109.275 178.431 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' THR . . . . . 0.526 ' HB ' ' HB2' ' A' ' 82' ' ' SER . 27.7 m -118.47 107.52 13.9 Favored 'General case' 0 C--N 1.316 -0.864 0 CA-C-O 120.981 0.42 . . . . 72.1 110.631 -178.124 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 7.4 mm -100.54 127.2 53.85 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 CA-C-N 115.65 -0.704 . . . . 71.43 110.114 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' SER . . . . . 0.509 ' HB2' ' HD3' ' A' ' 102' ' ' LYS . 15.5 p -107.17 119.44 39.39 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-O 120.977 0.418 . . . . 72.43 110.313 175.684 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . 0.481 HG11 ' HB3' ' A' ' 117' ' ' ALA . 7.8 p -113.75 132.63 62.18 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 N-CA-C 109.667 -0.494 . . . . 74.23 109.667 176.714 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 16.2 tt0 -110.82 112.73 24.78 Favored 'General case' 0 C--N 1.316 -0.867 0 N-CA-C 109.857 -0.423 . . . . 74.43 109.857 -176.828 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . 0.402 ' HB ' ' HE2' ' A' ' 103' ' ' TYR . 40.3 t -125.8 123.29 64.0 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.67 0 CA-C-N 115.771 -0.649 . . . . 72.31 110.535 -175.711 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 57.18 27.79 14.07 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.029 -0.987 . . . . 74.23 111.731 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 93.46 -14.67 64.75 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.789 -0.719 . . . . 72.52 112.556 179.779 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 2.2 mm100 -94.14 121.1 35.28 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.801 0.334 . . . . 73.24 110.162 179.227 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . 0.755 ' HZ3' ' HB3' ' A' ' 102' ' ' LYS . 0.0 OUTLIER -91.19 115.7 28.23 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-N 116.401 -0.363 . . . . 74.45 110.042 178.707 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' TYR . . . . . 0.402 ' HE2' ' HB ' ' A' ' 98' ' ' VAL . 60.1 m-85 -101.08 138.29 38.31 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 115.598 -0.728 . . . . 72.35 109.524 178.678 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 12.6 tp -109.95 141.35 42.83 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 116.563 -0.29 . . . . 74.34 110.505 -176.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -136.62 137.57 9.16 Favored Glycine 0 N--CA 1.45 -0.381 0 N-CA-C 111.404 -0.679 . . . . 73.42 111.404 177.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . 0.471 ' HA ' ' O ' ' A' ' 92' ' ' PHE . 15.9 mt-30 -124.9 126.05 44.91 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.829 0.314 . . . . 74.25 110.688 -176.245 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -146.87 -175.41 19.78 Favored Glycine 0 C--O 1.225 -0.416 0 C-N-CA 120.726 -0.749 . . . . 38.65 112.466 -177.559 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 26.0 mmt180 -84.2 -3.05 57.91 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-O 120.908 0.385 . . . . 75.53 111.884 -178.644 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 66.8 m -159.64 166.94 29.62 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 108.749 -0.834 . . . . 73.21 108.749 179.025 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . 0.436 ' HE2' HD23 ' A' ' 80' ' ' LEU . 96.3 mttt -55.0 -39.64 69.29 Favored 'General case' 0 C--N 1.332 -0.184 0 O-C-N 123.483 0.49 . . . . 74.0 110.206 177.102 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 78.3 tttt -60.32 -53.51 56.76 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.312 -0.858 . . . . 75.53 111.273 -179.582 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . 0.48 ' O ' ' HG2' ' A' ' 116' ' ' GLU . 35.0 t -60.22 -49.47 84.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 115.963 -0.562 . . . . 71.52 110.307 -178.829 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -62.64 -35.54 79.93 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.026 -0.534 . . . . 63.31 111.483 -177.887 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 114' ' ' ARG . . . . . 0.447 ' HD2' HG12 ' A' ' 66' ' ' VAL . 26.2 ttm180 -60.87 -47.94 84.06 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.122 -0.49 . . . . 73.05 109.908 176.783 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 64.5 mt -61.67 -47.66 92.28 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.349 0 CA-C-N 115.671 -0.695 . . . . 74.22 111.19 176.768 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . 0.48 ' HG2' ' O ' ' A' ' 112' ' ' VAL . 15.9 mm-40 -57.28 -43.46 83.12 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 121.012 0.434 . . . . 70.53 111.05 178.7 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . 0.481 ' HB3' HG11 ' A' ' 96' ' ' VAL . . . -61.8 -45.04 95.59 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-N 116.159 -0.473 . . . . 63.1 110.801 178.697 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . 0.476 ' O ' ' HG ' ' A' ' 122' ' ' LEU . . . -67.58 -30.6 70.26 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.958 -0.565 . . . . 70.55 111.168 -179.669 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -62.57 -41.44 98.93 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.078 0.465 . . . . 61.35 110.201 177.275 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 37.5 m -66.66 -35.03 79.18 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.664 -0.698 . . . . 73.13 110.533 176.779 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -64.33 -47.6 78.78 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.198 -0.455 . . . . 73.24 110.58 176.888 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . 0.476 ' HG ' ' O ' ' A' ' 118' ' ' ALA . 60.0 mt -57.76 -50.0 74.7 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.162 -0.472 . . . . 72.45 111.188 -179.58 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 123' ' ' ARG . . . . . 0.453 ' HA ' ' O ' ' A' ' 126' ' ' ILE . 16.6 ptm180 -67.21 -14.21 62.69 Favored 'General case' 0 N--CA 1.466 0.35 0 CA-C-N 116.262 -0.426 . . . . 73.25 111.327 -176.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 32.5 t -79.05 -31.9 44.68 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.171 -0.468 . . . . 54.41 110.14 176.103 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 59.5 m-85 -86.16 -49.19 7.93 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.078 -0.51 . . . . 74.12 110.212 -179.34 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 126' ' ' ILE . . . . . 0.453 ' O ' ' HA ' ' A' ' 123' ' ' ARG . 0.2 OUTLIER . . . . . 0 C--N 1.328 -0.354 0 CA-C-N 115.853 -0.612 . . . . 74.15 109.922 179.883 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . 0.418 ' ND2' ' HB ' ' A' ' 66' ' ' VAL . 17.9 p-10 . . . . . 0 C--O 1.237 0.423 0 CA-C-O 122.185 0.993 . . . . 70.33 112.394 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 40.0 p -63.23 -21.75 66.42 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 114.099 -1.41 . . . . 71.12 111.137 178.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.418 ' HB ' ' ND2' ' A' ' 64' ' ' ASN . 60.9 t -59.73 -44.17 93.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 115.42 -0.809 . . . . 43.02 110.812 177.412 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -65.54 -40.43 92.89 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.194 0.521 . . . . 72.02 109.864 177.821 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' MET . . . . . 0.415 ' HB2' HD12 ' A' ' 122' ' ' LEU . 76.1 mmm -56.78 -47.32 80.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.295 -0.866 . . . . 73.3 110.761 176.32 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.518 ' HB3' HD13 ' A' ' 76' ' ' LEU . 0.7 OUTLIER -59.39 -37.42 77.93 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.764 -0.653 . . . . 74.23 111.778 -179.421 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 15.0 m-80 -67.5 -21.58 65.49 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.941 0.4 . . . . 73.32 110.893 -178.688 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 61.9 mt-10 -79.91 -32.68 40.19 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.095 -0.502 . . . . 75.11 110.566 175.453 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 79.8 mt -85.72 -67.36 0.81 Allowed 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.137 -0.483 . . . . 72.13 112.071 -174.347 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 6.8 tpp180 -136.59 108.88 7.29 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.339 -0.392 . . . . 74.22 110.348 -175.112 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' HIS . . . . . 0.526 ' HA ' HD23 ' A' ' 76' ' ' LEU . 2.8 p-80 -81.92 170.68 15.34 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.973 -0.558 . . . . 74.45 109.759 176.196 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 90.72 23.75 29.83 Favored Glycine 0 N--CA 1.443 -0.891 0 N-CA-C 109.956 -1.258 . . . . 64.4 109.956 -169.232 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . 0.826 ' H ' HD22 ' A' ' 76' ' ' LEU . 1.8 pt? -96.88 107.98 20.59 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 114.604 -0.798 . . . . 74.52 110.283 -178.368 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 4.7 mp -103.36 110.18 29.09 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.744 0 CA-C-N 116.144 -0.48 . . . . 74.14 110.503 -179.133 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . 0.46 ' CD2' ' HB ' ' A' ' 96' ' ' VAL . 93.8 m-85 -85.0 124.77 32.08 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.24 -0.436 . . . . 72.54 109.836 176.237 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 13.7 ptpt -131.98 131.5 42.63 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 120.917 0.389 . . . . 74.41 110.328 -178.438 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 50.1 tp -79.43 101.02 7.94 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 109.027 -0.731 . . . . 72.3 109.027 176.492 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -89.24 -31.4 17.91 Favored 'General case' 0 C--N 1.322 -0.629 0 C-N-CA 120.755 -0.378 . . . . 74.31 111.799 -173.799 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 32.5 m -145.84 130.96 18.36 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 120.852 0.358 . . . . 65.13 110.865 -176.423 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 21.6 tm0? -132.99 108.69 9.05 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 109.531 -0.544 . . . . 74.33 109.531 174.287 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 18.7 p -142.92 141.53 31.5 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.068 -0.514 . . . . 73.3 110.595 -178.079 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 139.63 160.93 8.52 Favored Glycine 0 N--CA 1.445 -0.714 0 C-N-CA 120.824 -0.703 . . . . 71.11 111.919 177.36 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 33.1 Cg_endo -64.78 170.26 10.32 Favored 'Trans proline' 0 C--O 1.225 -0.143 0 C-N-CA 123.136 2.557 . . . . 73.1 112.22 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 12.6 p -71.41 -25.93 25.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-O 120.765 0.316 . . . . 73.42 111.156 -178.615 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 34.0 p-80 -83.02 -26.2 31.43 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 120.734 0.302 . . . . 75.1 110.833 -178.882 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -148.69 72.79 10.6 Favored Pre-proline 0 C--N 1.326 -0.44 0 CA-C-O 120.837 0.351 . . . . 73.05 110.963 179.302 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' PRO . . . . . 0.464 ' O ' ' HA ' ' A' ' 108' ' ' ARG . 66.2 Cg_endo -82.59 144.93 12.85 Favored 'Trans proline' 0 N--CA 1.456 -0.73 0 C-N-CA 122.333 2.022 . . . . 74.13 112.177 178.531 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -107.48 118.15 35.97 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.86 -0.609 . . . . 64.34 109.551 179.767 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . 0.415 ' O ' ' HA ' ' A' ' 106' ' ' GLN . 46.0 m-85 -103.89 133.21 49.25 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 115.361 -0.836 . . . . 73.21 109.277 178.411 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 18.4 m -119.02 105.21 11.21 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-O 120.904 0.383 . . . . 71.25 110.639 -177.853 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 5.9 mm -104.21 125.23 58.99 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.666 0 CA-C-N 115.716 -0.675 . . . . 72.03 109.585 178.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' SER . . . . . 0.473 ' CB ' ' HD3' ' A' ' 102' ' ' LYS . 0.3 OUTLIER -105.12 128.7 53.49 Favored 'General case' 0 C--N 1.314 -0.954 0 N-CA-C 109.955 -0.387 . . . . 72.3 109.955 174.539 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . 0.501 HG11 ' HB3' ' A' ' 117' ' ' ALA . 11.8 p -116.29 128.23 73.67 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.844 0 CA-C-O 121.416 0.627 . . . . 75.45 110.004 177.462 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 18.5 tt0 -100.36 112.28 24.61 Favored 'General case' 0 C--N 1.313 -1.015 0 CA-C-N 115.642 -0.708 . . . . 63.43 109.277 179.488 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . 0.445 ' C ' ' H ' ' A' ' 100' ' ' GLY . 15.3 t -124.37 123.43 66.31 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.772 0 CA-C-N 115.537 -0.756 . . . . 72.42 110.041 -174.193 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 18.2 t70 66.73 -9.79 0.33 Allowed 'General case' 0 N--CA 1.474 0.771 0 CA-C-O 121.345 0.593 . . . . 74.42 111.918 -178.389 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' GLY . . . . . 0.445 ' H ' ' C ' ' A' ' 98' ' ' VAL . . . 118.22 -2.3 16.52 Favored Glycine 0 C--N 1.317 -0.504 0 N-CA-C 111.427 -0.669 . . . . 52.35 111.427 -173.73 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' GLN . . . . . 0.485 ' HB3' ' CE2' ' A' ' 103' ' ' TYR . 4.4 tp60 -99.48 135.6 40.65 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 108.829 -0.804 . . . . 64.53 108.829 175.277 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . 0.473 ' HD3' ' CB ' ' A' ' 95' ' ' SER . 0.0 OUTLIER -102.63 113.92 27.7 Favored 'General case' 0 C--N 1.315 -0.893 0 CA-C-O 121.199 0.523 . . . . 75.43 110.289 -177.404 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' TYR . . . . . 0.485 ' CE2' ' HB3' ' A' ' 101' ' ' GLN . 63.4 m-85 -104.94 139.32 39.83 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.573 -0.739 . . . . 75.33 109.977 178.786 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 13.3 tp -108.1 143.03 37.39 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.824 0.345 . . . . 74.43 110.869 -176.313 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -132.52 128.35 5.16 Favored Glycine 0 N--CA 1.447 -0.615 0 N-CA-C 111.375 -0.69 . . . . 37.24 111.375 176.785 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . 0.415 ' HA ' ' O ' ' A' ' 92' ' ' PHE . 24.5 mt-30 -124.14 113.36 18.24 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 121.122 0.487 . . . . 73.53 110.666 -176.093 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -135.47 -177.3 14.87 Favored Glycine 0 N--CA 1.45 -0.422 0 CA-C-N 115.784 -0.644 . . . . 60.42 112.013 -177.148 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . 0.464 ' HA ' ' O ' ' A' ' 90' ' ' PRO . 11.5 mmt85 -92.38 6.71 45.92 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.469 0.652 . . . . 75.5 110.743 -176.806 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 109' ' ' SER . . . . . 0.515 ' HB2' HG22 ' A' ' 112' ' ' VAL . 15.9 m -156.44 162.29 40.01 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 108.671 -0.863 . . . . 73.05 108.671 178.829 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -61.98 -37.58 85.31 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.13 0.49 . . . . 74.51 110.458 -179.407 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 79.9 tttt -66.67 -49.93 64.53 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.621 -0.718 . . . . 74.41 110.446 179.552 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . 0.515 HG22 ' HB2' ' A' ' 109' ' ' SER . 46.7 t -54.87 -51.34 53.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 115.817 -0.629 . . . . 75.13 110.629 177.497 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -59.29 -41.48 89.08 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.873 -0.603 . . . . 71.43 111.337 -178.215 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 11.2 ttm180 -61.57 -42.89 99.51 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.154 -0.475 . . . . 73.42 110.47 178.222 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 65.2 mt -66.91 -44.34 88.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-N 115.819 -0.628 . . . . 74.14 111.563 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -60.21 -37.35 80.01 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.79 0.328 . . . . 75.03 111.16 178.136 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . 0.501 ' HB3' HG11 ' A' ' 96' ' ' VAL . . . -64.53 -43.19 94.8 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.174 0.512 . . . . 72.34 110.367 177.422 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . 0.467 ' O ' ' HG ' ' A' ' 122' ' ' LEU . . . -69.67 -35.55 75.25 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.759 -0.655 . . . . 73.52 111.343 -179.693 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -61.62 -40.83 96.25 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.115 0.483 . . . . 74.12 110.477 179.562 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 120' ' ' THR . . . . . 0.422 ' O ' ' HG2' ' A' ' 123' ' ' ARG . 32.0 m -63.86 -38.64 91.86 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.548 -0.751 . . . . 73.54 110.686 177.448 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -65.68 -47.92 73.81 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.244 -0.435 . . . . 60.21 110.932 177.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . 0.467 ' HG ' ' O ' ' A' ' 118' ' ' ALA . 61.7 mt -55.18 -49.89 70.75 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.299 -0.409 . . . . 73.33 111.196 -179.226 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 123' ' ' ARG . . . . . 0.422 ' HG2' ' O ' ' A' ' 120' ' ' THR . 25.1 ptt180 -66.92 -19.11 65.67 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.134 -0.484 . . . . 75.01 110.977 -176.016 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 74.1 m -80.67 -25.09 38.46 Favored 'General case' 0 N--CA 1.438 -1.026 0 CA-C-N 116.062 -0.517 . . . . 71.44 111.032 178.031 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 18.6 m-85 -87.49 -51.17 6.07 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 109.534 -0.543 . . . . 74.34 109.534 177.508 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.328 -0.346 0 CA-C-N 116.039 -0.528 . . . . 74.4 109.745 176.349 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 50.1 t-20 . . . . . 0 CA--C 1.522 -0.116 0 CA-C-O 121.259 0.552 . . . . 62.31 110.435 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 43.1 p -71.41 -27.98 63.68 Favored 'General case' 0 C--N 1.315 -0.893 0 CA-C-N 115.436 -0.802 . . . . 74.43 111.449 -178.282 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 58.2 t -64.96 -42.11 93.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-O 121.39 0.614 . . . . 73.21 109.578 177.396 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . 0.568 ' O ' ' HG3' ' A' ' 71' ' ' GLU . . . -63.17 -40.03 96.35 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.224 -0.898 . . . . 72.04 109.88 176.193 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' MET . . . . . 0.408 ' HE1' ' HB3' ' A' ' 68' ' ' MET . 58.4 mmm -60.46 -46.08 91.36 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.591 -0.731 . . . . 75.01 110.786 177.468 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.575 ' HB3' HD13 ' A' ' 76' ' ' LEU . 0.9 OUTLIER -60.62 -38.03 83.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.073 -0.512 . . . . 74.02 111.491 -178.054 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 25.0 m-80 -65.5 -28.21 69.03 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.068 0.461 . . . . 73.12 110.445 179.862 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . 0.568 ' HG3' ' O ' ' A' ' 67' ' ' ALA . 30.3 mt-10 -77.33 -41.46 40.41 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.858 -0.61 . . . . 75.22 110.336 177.881 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 75.8 mt -68.13 -59.49 3.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.923 -0.58 . . . . 72.43 111.573 -178.49 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 24.6 mmm180 -131.1 170.77 14.08 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.149 0.5 . . . . 74.24 111.409 -174.178 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 7.6 p-80 -122.76 155.02 37.37 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.612 -0.722 . . . . 72.43 109.167 173.55 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 92.72 36.91 5.94 Favored Glycine 0 N--CA 1.444 -0.781 0 C-N-CA 120.199 -1.0 . . . . 65.22 111.094 -177.331 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . 0.626 ' H ' HD23 ' A' ' 76' ' ' LEU . 1.1 pt? -106.71 106.17 16.56 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.341 0.591 . . . . 74.33 110.088 179.36 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . 0.487 ' O ' ' HA ' ' A' ' 96' ' ' VAL . 4.8 mp -105.78 115.82 48.3 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 CA-C-N 115.788 -0.642 . . . . 74.34 110.402 -178.011 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . 0.481 ' CE1' HD11 ' A' ' 76' ' ' LEU . 87.4 m-85 -95.56 125.34 40.09 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.396 -0.366 . . . . 75.13 110.15 178.697 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 17.2 ptpt -136.85 144.22 43.48 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 120.719 0.295 . . . . 72.31 110.308 179.463 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.46 HD21 ' HE2' ' A' ' 110' ' ' LYS . 33.8 tp -82.76 111.46 18.71 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 109.348 -0.612 . . . . 71.42 109.348 177.572 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -94.8 -24.33 17.11 Favored 'General case' 0 C--N 1.323 -0.55 0 C-N-CA 120.273 -0.571 . . . . 73.31 111.48 -179.348 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 69.5 m -154.99 145.68 22.36 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.919 0.39 . . . . 73.41 111.526 -178.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 22.7 tm0? -142.41 115.27 8.7 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 108.809 -0.811 . . . . 72.33 108.809 174.577 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 20.8 p -148.1 140.67 24.5 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.244 -0.435 . . . . 75.22 110.855 -174.829 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 144.03 -178.98 21.7 Favored Glycine 0 N--CA 1.449 -0.481 0 C-N-CA 120.156 -1.021 . . . . 62.14 112.663 174.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 55.8 Cg_endo -69.67 167.12 25.23 Favored 'Trans proline' 0 C--O 1.223 -0.261 0 C-N-CA 122.944 2.43 . . . . 64.31 111.656 178.636 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 10.1 p -78.45 -25.15 13.67 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 C-N-CA 120.84 -0.344 . . . . 75.41 111.022 -178.489 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 33.3 p-80 -79.33 -25.9 42.25 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-O 120.847 0.356 . . . . 75.23 110.85 -178.884 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -151.74 69.04 7.77 Favored Pre-proline 0 C--N 1.327 -0.384 0 CA-C-N 116.314 -0.403 . . . . 70.4 110.671 178.436 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' PRO . . . . . 0.606 ' O ' ' HA ' ' A' ' 108' ' ' ARG . 46.4 Cg_endo -71.6 143.99 43.58 Favored 'Trans proline' 0 N--CA 1.461 -0.406 0 C-N-CA 122.356 2.038 . . . . 73.14 111.769 -178.368 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 21.3 tp -100.82 130.73 46.88 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 121.388 0.613 . . . . 72.33 110.458 179.647 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . 0.563 ' O ' ' HA ' ' A' ' 106' ' ' GLN . 11.5 m-85 -111.77 141.19 45.71 Favored 'General case' 0 C--N 1.313 -0.997 0 CA-C-N 115.107 -0.951 . . . . 74.11 109.009 179.718 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 12.9 m -122.77 101.6 7.55 Favored 'General case' 0 C--N 1.316 -0.853 0 CA-C-O 121.246 0.546 . . . . 72.51 110.202 -177.634 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 6.5 mm -98.75 129.66 48.77 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.713 0 CA-C-N 115.284 -0.871 . . . . 74.34 109.743 -179.034 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' SER . . . . . 0.55 ' HB2' ' HD3' ' A' ' 102' ' ' LYS . 3.2 p -107.59 126.03 52.05 Favored 'General case' 0 C--N 1.311 -1.078 0 CA-C-N 115.662 -0.699 . . . . 73.53 109.733 176.629 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . 0.487 ' HA ' ' O ' ' A' ' 77' ' ' ILE . 8.8 p -123.24 129.5 74.86 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.944 0 CA-C-O 121.116 0.484 . . . . 61.21 110.287 177.415 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 24.7 tt0 -102.39 113.76 27.36 Favored 'General case' 0 C--N 1.314 -0.971 0 N-CA-C 109.094 -0.706 . . . . 73.2 109.094 176.125 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 24.7 t -120.91 120.67 63.02 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.81 0 CA-C-N 115.539 -0.755 . . . . 73.05 110.034 -176.819 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 28.7 t70 66.14 0.44 1.65 Allowed 'General case' 0 N--CA 1.467 0.415 0 O-C-N 123.745 0.653 . . . . 74.15 111.892 176.126 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 117.58 -0.13 18.15 Favored Glycine 0 N--CA 1.448 -0.501 0 C-N-CA 121.0 -0.619 . . . . 72.43 112.081 -177.527 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' GLN . . . . . 0.431 ' HA ' ' NE2' ' A' ' 101' ' ' GLN . 13.4 mm-40 -110.25 131.45 55.05 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.796 0.331 . . . . 75.43 110.993 176.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . 0.55 ' HD3' ' HB2' ' A' ' 95' ' ' SER . 0.2 OUTLIER -100.39 106.35 17.94 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.198 0.523 . . . . 64.31 110.408 -177.178 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 47.7 m-85 -95.21 153.25 17.75 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.655 -0.702 . . . . 74.15 109.592 179.663 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 13.3 tp -119.85 136.57 54.43 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 120.797 0.332 . . . . 75.43 110.625 -178.83 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -131.92 134.74 7.79 Favored Glycine 0 N--CA 1.448 -0.562 0 C-N-CA 121.027 -0.606 . . . . 73.41 111.742 179.809 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . 0.563 ' HA ' ' O ' ' A' ' 92' ' ' PHE . 31.4 mt-30 -128.77 123.89 34.09 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 120.819 0.342 . . . . 74.11 110.754 -176.659 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -147.32 178.75 24.73 Favored Glycine 0 N--CA 1.449 -0.469 0 N-CA-C 111.447 -0.661 . . . . 74.14 111.447 -179.451 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . 0.606 ' HA ' ' O ' ' A' ' 90' ' ' PRO . 27.9 mmt180 -81.91 8.12 11.23 Favored 'General case' 0 N--CA 1.466 0.374 0 CA-C-N 117.205 0.502 . . . . 63.21 112.029 -176.269 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 58.1 m -165.04 164.0 20.55 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 109.181 -0.674 . . . . 60.21 109.181 178.869 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . 0.46 ' HE2' HD21 ' A' ' 80' ' ' LEU . 84.0 mttt -57.75 -34.51 69.62 Favored 'General case' 0 C--N 1.333 -0.148 0 O-C-N 123.194 0.309 . . . . 71.52 110.299 177.396 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 60.3 tttt -56.22 -60.06 4.04 Favored 'General case' 0 N--CA 1.454 -0.265 0 CA-C-N 115.884 -0.598 . . . . 62.41 110.572 176.613 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . 0.402 ' O ' ' HG2' ' A' ' 116' ' ' GLU . 23.7 t -64.55 -44.52 96.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 115.326 -0.852 . . . . 72.34 110.895 -175.682 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -59.21 -41.16 87.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.371 -0.377 . . . . 62.41 111.012 -178.793 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 17.7 ttm180 -64.45 -43.42 94.31 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.049 -0.523 . . . . 73.23 110.033 177.473 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 75.0 mt -62.85 -48.63 87.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 115.485 -0.78 . . . . 72.14 111.458 178.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . 0.402 ' HG2' ' O ' ' A' ' 112' ' ' VAL . 8.8 mm-40 -57.72 -41.31 81.51 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.746 0.308 . . . . 74.43 111.127 179.553 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . 0.477 ' HB3' HG12 ' A' ' 96' ' ' VAL . . . -62.21 -45.47 93.2 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.135 0.493 . . . . 71.32 110.52 178.362 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . 0.568 ' O ' ' HG ' ' A' ' 122' ' ' LEU . . . -67.08 -36.52 82.18 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.537 -0.756 . . . . 71.11 111.287 179.834 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -61.4 -41.49 97.22 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.074 0.464 . . . . 55.31 110.595 179.676 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 80.4 m -64.55 -40.36 95.44 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.696 -0.684 . . . . 73.13 110.584 177.373 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -61.35 -45.52 94.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.822 -0.626 . . . . 73.14 110.759 178.498 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . 0.568 ' HG ' ' O ' ' A' ' 118' ' ' ALA . 64.0 mt -53.45 -50.33 65.5 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-N 116.418 -0.355 . . . . 74.42 111.19 -178.587 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 13.1 ptt180 -75.09 -12.2 60.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.979 0.418 . . . . 74.33 111.079 -175.333 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 8.1 t -79.66 -26.67 40.98 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.135 -0.484 . . . . 71.3 109.768 177.686 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 66.5 m-85 -83.72 -54.26 5.04 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.075 -0.511 . . . . 71.52 109.896 176.706 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.327 -0.402 0 CA-C-O 121.23 0.538 . . . . 73.13 110.451 178.658 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 22.5 p-10 . . . . . 0 CA--C 1.515 -0.372 0 CA-C-O 122.124 0.964 . . . . 63.3 111.55 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 39.9 p -61.1 -25.93 67.31 Favored 'General case' 0 C--N 1.314 -0.957 0 CA-C-N 113.824 -1.535 . . . . 65.13 111.551 -176.27 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 46.3 t -59.47 -46.78 92.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 115.519 -0.764 . . . . 74.54 110.462 177.501 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -67.22 -36.8 82.44 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.048 0.451 . . . . 55.1 110.191 178.24 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 75.6 mmm -59.47 -40.93 88.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.602 -0.726 . . . . 73.41 110.23 177.212 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.782 HD12 ' HH ' ' A' ' 78' ' ' TYR . 6.2 mt -63.53 -32.52 74.0 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.078 -0.51 . . . . 74.01 111.364 178.093 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . 0.441 ' ND2' HD11 ' A' ' 76' ' ' LEU . 0.9 OUTLIER -66.5 -27.51 67.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.345 0.593 . . . . 65.22 109.857 -179.04 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 51.9 mm-40 -80.94 -24.62 38.02 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 114.921 -1.036 . . . . 74.52 111.012 179.52 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 90.3 mt -90.49 -63.32 1.29 Allowed 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.079 -0.509 . . . . 64.05 111.875 -178.167 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 22.9 mmm180 -139.93 143.73 36.75 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.035 0.445 . . . . 74.05 111.922 -173.329 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 3.3 p-80 -90.92 162.32 14.81 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 108.815 -0.809 . . . . 73.1 108.815 169.396 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 87.89 40.1 6.79 Favored Glycine 0 N--CA 1.442 -0.909 0 C-N-CA 120.148 -1.025 . . . . 72.02 110.754 -176.806 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . 0.613 ' H ' HD23 ' A' ' 76' ' ' LEU . 1.1 pt? -106.58 100.71 10.21 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.182 0.515 . . . . 73.41 109.948 178.516 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . 0.537 ' O ' ' HA ' ' A' ' 96' ' ' VAL . 4.8 mp -100.93 110.5 28.01 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.7 0 CA-C-N 116.113 -0.494 . . . . 74.4 110.706 -176.805 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . 0.782 ' HH ' HD12 ' A' ' 69' ' ' LEU . 92.6 m-85 -89.14 121.44 31.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.417 -0.356 . . . . 70.35 110.043 176.59 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 18.3 ptpt -133.86 138.93 45.9 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-O 120.768 0.318 . . . . 73.44 110.611 178.644 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.5 HD22 ' HB2' ' A' ' 83' ' ' GLN . 43.3 tp -79.15 103.8 9.33 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 108.89 -0.781 . . . . 74.34 108.89 174.853 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . 0.441 ' HB3' ' HG ' ' A' ' 95' ' ' SER . 5.6 pt-20 -86.48 -28.04 23.7 Favored 'General case' 0 C--N 1.324 -0.529 0 C-N-CA 120.113 -0.635 . . . . 74.32 111.603 -175.354 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 46.7 m -154.71 140.36 17.98 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.733 0.302 . . . . 55.45 110.453 177.86 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . 0.5 ' HB2' HD22 ' A' ' 80' ' ' LEU . 23.6 tm0? -130.62 113.87 14.74 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 109.035 -0.728 . . . . 64.05 109.035 174.65 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 18.9 p -140.06 150.11 43.96 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.106 -0.497 . . . . 64.34 110.98 -175.308 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 131.36 177.92 15.17 Favored Glycine 0 N--CA 1.445 -0.708 0 C-N-CA 120.635 -0.793 . . . . 64.14 112.049 175.444 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 44.5 Cg_endo -66.85 167.44 19.55 Favored 'Trans proline' 0 N--CA 1.462 -0.325 0 C-N-CA 122.603 2.202 . . . . 71.4 111.624 178.492 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 35.2 m -84.99 -14.81 11.04 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 C-N-CA 121.004 -0.278 . . . . 72.31 111.68 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 39.6 p-80 -84.34 -28.53 26.98 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.969 0.414 . . . . 73.11 110.306 177.889 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -150.61 76.0 8.38 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-N 115.929 -0.578 . . . . 74.12 110.118 177.744 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 5.1 Cg_exo -75.91 154.56 38.39 Favored 'Trans proline' 0 N--CA 1.457 -0.668 0 C-N-CA 122.581 2.187 . . . . 61.41 112.35 -178.048 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.424 HD13 ' HB3' ' A' ' 106' ' ' GLN . 2.9 tm? -110.75 116.84 31.99 Favored 'General case' 0 N--CA 1.443 -0.793 0 CA-C-O 121.409 0.623 . . . . 74.24 109.47 177.646 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 18.2 m-85 -101.41 132.09 47.18 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 115.488 -0.778 . . . . 74.35 109.066 179.582 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' THR . . . . . 0.405 HG22 HD13 ' A' ' 104' ' ' LEU . 14.6 m -114.2 100.9 8.71 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 121.092 0.472 . . . . 73.52 109.905 -176.935 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . 0.517 HG23 ' HA ' ' A' ' 114' ' ' ARG . 5.5 mm -96.67 126.76 49.29 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.698 0 CA-C-N 115.507 -0.77 . . . . 75.3 109.82 -179.323 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' SER . . . . . 0.544 ' HB2' ' HD3' ' A' ' 102' ' ' LYS . 1.8 p -106.73 124.2 49.26 Favored 'General case' 0 N--CA 1.437 -1.114 0 CA-C-N 115.523 -0.762 . . . . 61.43 109.657 176.29 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . 0.537 ' HA ' ' O ' ' A' ' 77' ' ' ILE . 7.3 p -115.93 120.65 65.45 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.851 0 CA-C-O 121.582 0.706 . . . . 65.31 110.283 177.139 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . 0.461 ' HA ' ' HA ' ' A' ' 102' ' ' LYS . 15.9 tt0 -97.34 115.04 26.94 Favored 'General case' 0 C--N 1.308 -1.23 0 N-CA-C 108.669 -0.863 . . . . 75.14 108.669 177.407 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 13.2 t -123.02 118.6 55.35 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 CA-C-N 115.886 -0.597 . . . . 63.33 109.938 -177.75 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 25.1 t70 66.26 16.89 10.59 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.537 0.684 . . . . 63.3 110.455 175.114 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 109.81 -26.28 14.65 Favored Glycine 0 N--CA 1.451 -0.338 0 CA-C-N 115.821 -0.627 . . . . 52.15 112.389 -179.047 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' GLN . . . . . 0.425 ' HB3' ' CE2' ' A' ' 103' ' ' TYR . 0.0 OUTLIER -88.16 128.92 35.45 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 110.186 -0.301 . . . . 61.43 110.186 -177.266 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . 0.544 ' HD3' ' HB2' ' A' ' 95' ' ' SER . 2.5 tmmm? -96.8 118.35 33.04 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.89 0.376 . . . . 75.35 110.147 179.65 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 103' ' ' TYR . . . . . 0.475 ' CD1' ' HA ' ' A' ' 121' ' ' ALA . 57.6 m-85 -106.29 142.06 36.59 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.634 -0.712 . . . . 71.41 110.0 178.441 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . 0.405 HD13 HG22 ' A' ' 93' ' ' THR . 12.3 tp -108.43 144.67 35.72 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 120.782 0.325 . . . . 71.41 111.071 -177.236 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . 0.482 ' HA3' ' N ' ' A' ' 117' ' ' ALA . . . -142.28 138.56 8.58 Favored Glycine 0 N--CA 1.448 -0.541 0 N-CA-C 111.474 -0.651 . . . . 63.32 111.474 176.938 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . 0.424 ' HB3' HD13 ' A' ' 91' ' ' LEU . 17.9 mt-30 -124.74 123.08 39.22 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 120.827 0.346 . . . . 64.3 110.968 -174.188 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -140.08 -179.52 17.95 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.916 -0.659 . . . . 73.33 112.019 -177.768 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 16.5 mmt180 -86.71 0.03 55.42 Favored 'General case' 0 N--CA 1.466 0.37 0 CA-C-O 121.247 0.546 . . . . 75.01 110.563 -177.323 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 67.0 m -161.25 164.22 30.46 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 108.653 -0.869 . . . . 71.02 108.653 -179.744 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . 0.434 ' HE2' HD21 ' A' ' 80' ' ' LEU . 86.5 mttt -54.99 -43.31 73.46 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-O 120.933 0.397 . . . . 74.25 110.822 179.23 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 81.5 tttt -60.31 -51.43 69.56 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.648 -0.705 . . . . 75.1 110.981 -177.748 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . 0.581 ' O ' ' HG2' ' A' ' 116' ' ' GLU . 30.3 t -57.99 -53.12 49.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 115.377 -0.828 . . . . 73.01 110.633 177.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -58.97 -36.6 75.12 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.988 -0.551 . . . . 72.11 111.738 -176.815 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 114' ' ' ARG . . . . . 0.517 ' HA ' HG23 ' A' ' 94' ' ' ILE . 39.7 ttm180 -59.86 -45.47 92.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.135 -0.484 . . . . 74.42 110.449 178.273 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 52.5 mt -65.6 -45.83 91.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 115.757 -0.656 . . . . 73.41 111.227 176.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . 0.581 ' HG2' ' O ' ' A' ' 112' ' ' VAL . 7.0 mm-40 -58.69 -38.2 77.74 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.056 0.455 . . . . 64.12 110.952 178.762 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . 0.486 ' HB1' HG11 ' A' ' 96' ' ' VAL . . . -63.87 -46.67 83.93 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.81 -0.632 . . . . 60.31 111.095 178.397 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . 0.552 ' O ' ' HG ' ' A' ' 122' ' ' LEU . . . -66.46 -27.24 67.65 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.922 -0.581 . . . . 71.12 111.082 -179.386 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -61.31 -45.39 94.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.06 -0.518 . . . . 73.43 110.878 177.614 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 35.8 m -62.77 -40.22 96.62 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.985 -0.552 . . . . 64.54 110.266 176.628 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . 0.475 ' HA ' ' CD1' ' A' ' 103' ' ' TYR . . . -57.21 -52.11 66.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.652 -0.704 . . . . 51.11 111.103 179.501 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . 0.552 ' HG ' ' O ' ' A' ' 118' ' ' ALA . 64.4 mt -52.17 -50.58 61.56 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.879 -0.6 . . . . 73.43 111.735 -176.161 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 11.6 ptm180 -66.74 -20.88 66.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 74.44 111.48 -174.193 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 8.5 t -78.98 -29.26 43.73 Favored 'General case' 0 C--N 1.327 -0.397 0 C-N-CA 120.928 -0.309 . . . . 71.45 110.579 178.207 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 79.8 m-85 -81.47 -61.57 1.9 Allowed 'General case' 0 CA--C 1.516 -0.338 0 CA-C-O 120.941 0.4 . . . . 72.04 110.374 -179.704 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 126' ' ' ILE . . . . . 0.446 HD13 ' O ' ' A' ' 122' ' ' LEU . 0.3 OUTLIER . . . . . 0 C--N 1.32 -0.68 0 CA-C-N 115.942 -0.572 . . . . 71.5 109.581 179.583 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . 0.598 ' HB3' HG12 ' A' ' 115' ' ' ILE . 0.0 OUTLIER . . . . . 0 C--O 1.239 0.533 0 CA-C-O 121.684 0.754 . . . . 75.34 111.074 . . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' THR . . . . . 0.413 HG21 HD11 ' A' ' 122' ' ' LEU . 12.4 p -67.42 -13.29 61.89 Favored 'General case' 0 C--N 1.316 -0.883 0 CA-C-N 114.498 -1.228 . . . . 72.41 110.734 177.421 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 86.3 t -67.52 -48.21 77.78 Favored 'Isoleucine or valine' 0 C--O 1.233 0.196 0 CA-C-N 115.994 -0.548 . . . . 65.25 110.503 179.777 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -63.19 -37.97 89.34 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.086 -0.507 . . . . 72.54 109.99 176.712 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 73.5 mmm -57.81 -40.58 80.29 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.619 -0.719 . . . . 72.1 110.879 175.428 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.742 HD13 ' HH ' ' A' ' 78' ' ' TYR . 4.4 mt -63.89 -34.36 77.78 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.02 -0.536 . . . . 75.51 111.427 179.308 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . 0.51 ' ND2' HD13 ' A' ' 76' ' ' LEU . 1.2 m-80 -70.7 -20.91 62.63 Favored 'General case' 0 N--CA 1.467 0.393 0 CA-C-O 121.337 0.589 . . . . 61.34 110.031 -178.545 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 21.2 mm-40 -78.31 -32.29 49.26 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.479 -0.782 . . . . 74.14 110.443 176.387 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 90.7 mt -90.15 -50.68 5.86 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.003 -0.544 . . . . 74.24 111.867 -174.818 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . 0.492 ' HG3' ' CZ ' ' A' ' 125' ' ' PHE . 1.8 mmp_? -137.84 164.06 29.88 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.133 0.492 . . . . 74.13 111.278 -175.016 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 1.7 p-80 -126.05 166.91 16.11 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.735 -0.666 . . . . 75.54 109.372 173.489 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 85.16 25.66 39.54 Favored Glycine 0 N--CA 1.448 -0.531 0 C-N-CA 120.215 -0.993 . . . . 63.41 111.236 -176.269 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . 0.797 ' H ' HD23 ' A' ' 76' ' ' LEU . 1.7 pt? -95.24 118.62 32.34 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.107 0.48 . . . . 71.3 110.099 -179.778 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 4.3 mp -114.61 114.71 47.38 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 CA-C-N 115.863 -0.608 . . . . 71.22 110.527 -178.534 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . 0.742 ' HH ' HD13 ' A' ' 69' ' ' LEU . 95.0 m-85 -88.85 124.0 33.77 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.281 -0.418 . . . . 74.45 110.187 177.605 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 17.3 ptpt -136.15 135.74 39.47 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 116.096 -0.502 . . . . 75.1 110.875 -178.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 45.0 tp -76.48 103.0 6.25 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 109.125 -0.694 . . . . 74.41 109.125 174.359 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -92.4 -22.98 19.35 Favored 'General case' 0 C--N 1.325 -0.466 0 C-N-CA 120.883 -0.327 . . . . 74.31 111.694 -175.732 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' SER . . . . . 0.509 ' HB2' ' HB ' ' A' ' 93' ' ' THR . 48.5 m -150.13 144.6 25.8 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 120.863 0.363 . . . . 73.22 111.022 -179.316 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 19.5 tm0? -146.12 120.12 9.39 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 109.496 -0.557 . . . . 63.42 109.496 177.889 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 7.4 p -147.15 155.46 42.15 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.295 -0.412 . . . . 73.13 110.854 -179.048 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 120.23 175.71 15.62 Favored Glycine 0 N--CA 1.449 -0.466 0 C-N-CA 120.587 -0.816 . . . . 63.01 112.816 176.909 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo -73.02 153.68 52.39 Favored 'Trans proline' 0 C--O 1.222 -0.302 0 C-N-CA 123.213 2.609 . . . . 74.21 111.443 178.341 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 29.5 m -68.59 -21.49 26.12 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 N-CA-C 112.122 0.416 . . . . 75.24 112.122 -177.017 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 37.3 p-80 -78.12 -33.17 50.68 Favored 'General case' 0 C--O 1.232 0.155 0 C-N-CA 120.784 -0.366 . . . . 75.44 110.872 179.385 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -147.71 72.48 11.56 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.321 -0.4 . . . . 74.13 110.499 179.488 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' PRO . . . . . 0.494 ' O ' ' HA ' ' A' ' 108' ' ' ARG . 1.0 OUTLIER -81.71 164.04 18.48 Favored 'Trans proline' 0 N--CA 1.454 -0.832 0 C-N-CA 122.692 2.261 . . . . 53.43 112.662 -175.989 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -112.18 119.01 36.92 Favored 'General case' 0 C--N 1.32 -0.716 0 N-CA-C 108.896 -0.779 . . . . 74.21 108.896 175.725 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . 0.431 ' O ' ' HA ' ' A' ' 106' ' ' GLN . 69.0 m-85 -106.0 135.25 47.79 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 115.474 -0.784 . . . . 72.15 109.842 179.732 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' THR . . . . . 0.509 ' HB ' ' HB2' ' A' ' 82' ' ' SER . 38.7 m -117.58 101.72 8.59 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 121.129 0.49 . . . . 74.11 110.044 -178.493 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . 0.519 HG23 ' HA ' ' A' ' 114' ' ' ARG . 6.3 mm -99.33 129.43 49.82 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 CA-C-N 115.591 -0.731 . . . . 74.25 109.628 179.454 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' SER . . . . . 0.557 ' HB2' ' HD3' ' A' ' 102' ' ' LYS . 2.2 p -108.86 144.21 37.04 Favored 'General case' 0 C--N 1.314 -0.957 0 CA-C-N 116.362 -0.381 . . . . 42.04 110.115 174.311 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . 0.438 HG12 ' HB3' ' A' ' 117' ' ' ALA . 7.6 p -136.89 126.07 36.75 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.829 0 CA-C-O 121.099 0.476 . . . . 71.53 110.298 175.67 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . 0.476 ' HA ' ' HA ' ' A' ' 102' ' ' LYS . 25.7 tt0 -94.36 114.46 26.51 Favored 'General case' 0 C--N 1.315 -0.908 0 N-CA-C 109.094 -0.706 . . . . 63.13 109.094 177.368 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 30.0 t -123.0 116.86 49.96 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.83 0 CA-C-N 115.75 -0.659 . . . . 70.5 110.149 -175.819 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 14.4 t70 62.57 21.61 12.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.607 -0.724 . . . . 73.42 110.683 178.755 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 107.44 -28.65 12.04 Favored Glycine 0 N--CA 1.449 -0.478 0 C-N-CA 120.81 -0.709 . . . . 63.44 112.37 179.36 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 12.5 mm-40 -86.24 129.18 34.94 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 120.984 0.421 . . . . 73.53 111.053 -179.151 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . 0.557 ' HD3' ' HB2' ' A' ' 95' ' ' SER . 0.7 OUTLIER -96.96 110.56 23.06 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.886 -0.597 . . . . 72.1 109.905 -177.767 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 70.8 m-85 -98.41 164.67 12.19 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.988 -0.551 . . . . 74.41 110.066 -178.719 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 12.0 tp -133.33 145.34 50.32 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.659 0.266 . . . . 74.43 110.777 -177.057 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . 0.443 ' HA3' ' N ' ' A' ' 117' ' ' ALA . . . -141.75 135.9 7.04 Favored Glycine 0 N--CA 1.447 -0.626 0 N-CA-C 111.538 -0.625 . . . . 72.13 111.538 176.279 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . 0.431 ' HA ' ' O ' ' A' ' 92' ' ' PHE . 23.5 mt-30 -122.14 119.59 31.74 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 120.746 0.307 . . . . 74.13 110.659 -176.78 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -136.63 174.78 21.4 Favored Glycine 0 N--CA 1.449 -0.49 0 C-N-CA 120.853 -0.689 . . . . 63.02 112.426 -177.587 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . 0.494 ' HA ' ' O ' ' A' ' 90' ' ' PRO . 28.9 mmt180 -84.12 5.64 25.42 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.177 0.513 . . . . 73.03 111.28 -178.182 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 109' ' ' SER . . . . . 0.539 ' HB2' HG22 ' A' ' 112' ' ' VAL . 27.2 m -159.55 161.79 35.29 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 108.672 -0.862 . . . . 74.43 108.672 -179.667 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 95.9 mttt -59.96 -37.13 78.69 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.425 0.631 . . . . 73.24 109.937 178.38 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 9.7 tmtt? -63.57 -45.84 88.63 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.194 -0.912 . . . . 71.43 110.862 178.303 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . 0.539 HG22 ' HB2' ' A' ' 109' ' ' SER . 27.6 t -63.82 -53.35 45.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.148 -0.478 . . . . 73.14 110.536 -179.156 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -58.13 -38.84 77.29 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.597 -0.729 . . . . 71.1 111.806 -175.846 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 114' ' ' ARG . . . . . 0.519 ' HA ' HG23 ' A' ' 94' ' ' ILE . 9.1 ttp180 -58.1 -44.89 87.92 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 121.369 0.604 . . . . 73.35 110.39 178.006 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 115' ' ' ILE . . . . . 0.598 HG12 ' HB3' ' A' ' 64' ' ' ASN . 60.9 mt -69.37 -44.88 79.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-N 115.512 -0.767 . . . . 75.44 111.621 179.513 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . 0.465 ' HG2' ' O ' ' A' ' 112' ' ' VAL . 8.2 mm-40 -58.58 -36.2 73.58 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.956 0.407 . . . . 75.42 111.194 178.513 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . 0.443 ' N ' ' HA3' ' A' ' 105' ' ' GLY . . . -63.51 -43.75 96.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.116 -0.493 . . . . 72.31 110.619 176.836 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -69.61 -29.59 67.14 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.686 -0.688 . . . . 75.2 111.138 -179.404 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -62.83 -45.37 92.91 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.033 0.444 . . . . 75.53 110.612 178.303 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 28.5 m -59.95 -36.47 77.17 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.808 -0.633 . . . . 63.33 110.527 176.358 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -66.28 -47.5 73.45 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.712 -0.676 . . . . 61.4 111.333 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . 0.413 HD11 HG21 ' A' ' 65' ' ' THR . 30.4 mt -59.0 -46.72 87.47 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.607 -0.269 . . . . 74.33 111.451 -177.914 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 25.2 ptt180 -68.63 -19.29 64.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.069 0.461 . . . . 75.43 110.587 -177.385 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 34.6 t -72.96 -30.63 63.99 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.053 -0.521 . . . . 73.04 110.332 176.875 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 125' ' ' PHE . . . . . 0.492 ' CZ ' ' HG3' ' A' ' 73' ' ' ARG . 60.7 m-85 -85.88 -58.29 2.71 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.115 -0.493 . . . . 70.22 110.462 179.712 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 126' ' ' ILE . . . . . 0.408 HD13 ' H ' ' A' ' 126' ' ' ILE . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.463 0 CA-C-O 121.282 0.563 . . . . 75.24 111.271 -177.276 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . 0.462 ' ND2' ' HB ' ' A' ' 66' ' ' VAL . 16.8 p-10 . . . . . 0 N--CA 1.449 -0.492 0 CA-C-O 121.253 0.549 . . . . 72.2 110.037 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 41.4 p -57.19 -27.33 61.85 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 115.028 -0.987 . . . . 74.54 111.051 -179.671 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.462 ' HB ' ' ND2' ' A' ' 64' ' ' ASN . 35.3 t -56.97 -46.88 84.09 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-N 115.453 -0.794 . . . . 71.24 110.49 175.615 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . 0.598 ' O ' ' HG3' ' A' ' 71' ' ' GLU . . . -68.53 -39.83 80.98 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.976 -0.557 . . . . 74.5 109.981 178.148 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' MET . . . . . 0.423 ' HB2' HD12 ' A' ' 122' ' ' LEU . 80.6 mmm -56.27 -43.4 78.72 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 115.65 -0.705 . . . . 73.24 111.272 177.614 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.869 ' HB3' HD12 ' A' ' 76' ' ' LEU . 1.5 mt -63.14 -34.62 78.01 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.189 -0.46 . . . . 74.22 110.837 179.513 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 26.9 m-80 -72.52 -16.89 61.77 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.152 0.501 . . . . 74.54 110.143 178.885 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . 0.598 ' HG3' ' O ' ' A' ' 67' ' ' ALA . 40.1 mt-10 -91.02 -17.66 25.9 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.722 -0.672 . . . . 70.5 110.445 178.098 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 61.2 mt -101.41 -69.11 0.79 Allowed 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.925 -0.58 . . . . 72.44 111.405 -178.631 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 21.5 mmm180 -132.31 109.01 9.58 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.114 -0.494 . . . . 73.43 110.704 -172.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 9.5 p-80 -81.29 159.88 24.34 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 109.48 -0.563 . . . . 74.12 109.48 176.365 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 99.31 24.75 9.97 Favored Glycine 0 N--CA 1.446 -0.65 0 N-CA-C 110.16 -1.176 . . . . 38.13 110.16 -168.295 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . 0.869 HD12 ' HB3' ' A' ' 69' ' ' LEU . 1.7 pt? -97.42 117.01 30.72 Favored 'General case' 0 N--CA 1.448 -0.542 0 CA-C-N 114.612 -0.794 . . . . 74.53 110.17 -179.396 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . 0.44 ' O ' ' HA ' ' A' ' 96' ' ' VAL . 4.2 mp -111.71 106.07 20.04 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.681 0 CA-C-N 116.507 -0.315 . . . . 72.24 110.865 -179.803 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . 0.663 ' HH ' HD13 ' A' ' 69' ' ' LEU . 81.4 m-85 -83.4 140.85 32.15 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 109.28 -0.637 . . . . 72.25 109.28 174.332 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 8.1 ptpp? -151.02 151.44 32.05 Favored 'General case' 0 C--N 1.317 -0.832 0 N-CA-C 109.807 -0.442 . . . . 70.32 109.807 176.797 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 41.0 tp -91.55 106.28 18.37 Favored 'General case' 0 C--N 1.318 -0.782 0 N-CA-C 108.978 -0.749 . . . . 70.21 108.978 179.002 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -89.26 -24.1 22.17 Favored 'General case' 0 C--N 1.324 -0.528 0 C-N-CA 120.095 -0.642 . . . . 64.25 111.391 -175.888 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 62.2 m -157.21 150.56 23.96 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.675 0.274 . . . . 44.32 111.327 179.704 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 21.8 tm0? -143.64 117.47 9.33 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 109.133 -0.692 . . . . 73.2 109.133 175.323 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 19.3 p -145.91 141.25 27.61 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.474 -0.33 . . . . 74.11 111.21 -176.359 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 141.84 176.03 15.76 Favored Glycine 0 N--CA 1.45 -0.42 0 C-N-CA 120.29 -0.957 . . . . 65.44 112.991 174.846 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 59.0 Cg_endo -71.46 171.06 16.97 Favored 'Trans proline' 0 C--N 1.343 0.25 0 C-N-CA 123.004 2.469 . . . . 74.11 111.814 176.221 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 23.7 m -81.12 -18.78 11.67 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 C-N-CA 120.784 -0.366 . . . . 75.23 111.937 -178.391 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 32.9 p-80 -84.33 -27.95 27.41 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.948 0.404 . . . . 73.21 110.522 179.241 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -150.9 75.25 8.35 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-N 116.119 -0.491 . . . . 63.44 110.554 177.652 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' PRO . . . . . 0.499 ' O ' ' HA ' ' A' ' 108' ' ' ARG . 63.9 Cg_endo -78.96 156.42 26.76 Favored 'Trans proline' 0 N--CA 1.456 -0.698 0 C-N-CA 122.214 1.943 . . . . 75.34 111.547 179.652 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.467 HD13 ' HB3' ' A' ' 106' ' ' GLN . 22.7 tp -111.78 133.37 54.05 Favored 'General case' 0 C--N 1.315 -0.899 0 CA-C-O 121.092 0.472 . . . . 73.13 109.863 176.685 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . 0.439 ' O ' ' HA ' ' A' ' 106' ' ' GLN . 12.1 m-85 -117.28 138.72 51.56 Favored 'General case' 0 C--N 1.312 -1.037 0 N-CA-C 108.752 -0.832 . . . . 74.12 108.752 178.233 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' THR . . . . . 0.423 HG21 HD11 ' A' ' 104' ' ' LEU . 26.9 m -120.08 103.4 9.25 Favored 'General case' 0 C--N 1.316 -0.884 0 CA-C-O 121.12 0.485 . . . . 71.42 110.26 -176.573 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . 0.434 HG21 ' HA ' ' A' ' 114' ' ' ARG . 9.6 mm -101.37 131.42 49.18 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-N 115.356 -0.838 . . . . 73.43 110.202 -177.899 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' SER . . . . . 0.572 ' CB ' ' HD3' ' A' ' 102' ' ' LYS . 1.6 p -112.95 113.93 26.19 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-N 115.661 -0.699 . . . . 54.53 110.731 178.608 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . 0.574 ' HB ' ' CD2' ' A' ' 78' ' ' TYR . 7.1 p -107.72 127.35 63.81 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-O 121.144 0.497 . . . . 72.11 109.863 177.05 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 11.4 tt0 -104.16 113.37 26.87 Favored 'General case' 0 C--N 1.313 -0.993 0 CA-C-N 116.124 -0.489 . . . . 75.44 110.135 -178.387 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 22.1 t -125.68 126.25 69.89 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.633 0 CA-C-N 115.406 -0.816 . . . . 75.51 110.33 -177.82 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 56.85 31.1 19.01 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 114.884 -1.053 . . . . 70.24 111.705 179.334 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 80.27 16.51 76.14 Favored Glycine 0 N--CA 1.45 -0.409 0 C-N-CA 120.624 -0.798 . . . . 72.5 112.343 -179.831 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' GLN . . . . . 0.435 ' HA ' ' NE2' ' A' ' 101' ' ' GLN . 13.0 mm-40 -122.16 120.89 35.55 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.201 0.524 . . . . 74.31 110.468 176.662 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . 0.572 ' HD3' ' CB ' ' A' ' 95' ' ' SER . 0.7 OUTLIER -90.74 107.48 19.21 Favored 'General case' 0 C--N 1.316 -0.885 0 CA-C-N 115.514 -0.767 . . . . 71.44 110.378 -177.76 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 103' ' ' TYR . . . . . 0.435 ' HB3' ' HB ' ' A' ' 120' ' ' THR . 74.1 m-85 -96.1 133.47 40.32 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.445 -0.798 . . . . 72.11 109.701 -179.931 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . 0.423 HD11 HG21 ' A' ' 93' ' ' THR . 12.2 tp -103.88 143.88 32.26 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 116.288 -0.415 . . . . 70.25 111.229 -176.619 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . 0.483 ' HA3' ' N ' ' A' ' 117' ' ' ALA . . . -140.29 130.1 4.48 Favored Glycine 0 N--CA 1.445 -0.72 0 N-CA-C 111.195 -0.762 . . . . 75.43 111.195 175.658 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . 0.467 ' HB3' HD13 ' A' ' 91' ' ' LEU . 23.0 mt-30 -119.29 117.01 27.43 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 120.945 0.402 . . . . 75.04 110.321 -176.285 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -134.11 -172.41 12.85 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 121.041 -0.6 . . . . 64.52 111.999 -175.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . 0.499 ' HA ' ' O ' ' A' ' 90' ' ' PRO . 10.8 mmt180 -89.14 -3.73 58.52 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.098 0.475 . . . . 70.5 110.821 -175.552 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 44.2 m -160.46 169.3 23.3 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 109.089 -0.708 . . . . 72.14 109.089 -176.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 93.7 mttt -57.06 -44.11 82.71 Favored 'General case' 0 N--CA 1.463 0.181 0 CA-C-O 121.194 0.521 . . . . 65.11 109.855 178.539 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 13.3 tmtt? -62.89 -48.12 80.36 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.053 -0.976 . . . . 71.3 110.321 -177.657 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . 0.591 ' O ' ' HG2' ' A' ' 116' ' ' GLU . 32.1 t -62.62 -50.62 79.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 116.014 -0.539 . . . . 73.24 110.617 179.453 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -62.0 -39.45 92.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.086 -0.506 . . . . 75.13 111.601 -176.621 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 114' ' ' ARG . . . . . 0.434 ' HA ' HG21 ' A' ' 94' ' ' ILE . 14.6 ttm180 -62.24 -41.94 98.88 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.076 -0.511 . . . . 73.03 110.335 179.435 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 68.5 mt -62.14 -49.43 84.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 115.835 -0.621 . . . . 72.54 110.781 174.68 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . 0.591 ' HG2' ' O ' ' A' ' 112' ' ' VAL . 55.7 mm-40 -57.85 -37.49 73.96 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.603 -0.271 . . . . 64.22 111.446 179.568 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . 0.483 ' N ' ' HA3' ' A' ' 105' ' ' GLY . . . -63.51 -49.53 73.17 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.089 0.471 . . . . 64.14 110.9 177.179 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . 0.463 ' O ' ' HG ' ' A' ' 122' ' ' LEU . . . -65.56 -31.7 72.89 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.665 -0.698 . . . . 73.53 111.152 -179.415 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -61.72 -43.14 99.42 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.202 -0.454 . . . . 70.13 110.499 178.21 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 120' ' ' THR . . . . . 0.435 ' HB ' ' HB3' ' A' ' 103' ' ' TYR . 24.7 m -60.22 -39.83 88.05 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.929 -0.578 . . . . 75.04 110.416 176.863 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -63.31 -50.36 70.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.942 -0.572 . . . . 74.03 110.722 178.21 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . 0.463 ' HG ' ' O ' ' A' ' 118' ' ' ALA . 47.7 mt -57.86 -49.75 75.64 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.145 -0.48 . . . . 64.45 111.19 -177.909 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 13.8 ptm180 -70.18 -13.93 62.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.315 -0.402 . . . . 65.14 111.124 -175.336 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 3.1 t -85.66 -26.22 26.12 Favored 'General case' 0 N--CA 1.449 -0.499 0 N-CA-C 109.566 -0.531 . . . . 64.34 109.566 177.679 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 25.2 m-85 -80.32 -57.08 3.77 Favored 'General case' 0 CA--C 1.52 -0.175 0 CA-C-O 121.233 0.54 . . . . 62.0 110.201 177.895 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.326 -0.416 0 CA-C-N 115.526 -0.761 . . . . 73.43 111.324 -174.839 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 21.1 p-10 . . . . . 0 N--CA 1.452 -0.353 0 CA-C-O 121.54 0.686 . . . . 74.54 110.197 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' THR . . . . . 0.411 ' OG1' ' HB2' ' A' ' 118' ' ' ALA . 40.5 p -63.39 -22.79 67.09 Favored 'General case' 0 C--N 1.316 -0.86 0 CA-C-N 114.901 -1.045 . . . . 73.32 111.446 -177.293 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 47.8 t -58.91 -40.67 80.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 115.524 -0.762 . . . . 72.33 110.689 177.495 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -70.96 -39.31 72.62 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.898 -0.592 . . . . 60.15 110.038 177.786 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' MET . . . . . 0.467 ' HB2' HD12 ' A' ' 122' ' ' LEU . 80.3 mmm -59.03 -44.12 91.72 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.383 -0.826 . . . . 75.31 110.718 178.214 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.752 ' HB3' HD11 ' A' ' 76' ' ' LEU . 0.9 OUTLIER -59.94 -37.98 81.09 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.811 -0.631 . . . . 72.54 111.086 -179.901 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . 0.436 ' ND2' HD13 ' A' ' 76' ' ' LEU . 20.5 m-80 -65.35 -26.43 68.02 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.937 0.399 . . . . 75.11 110.8 179.035 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 23.0 mt-10 -80.37 -24.09 40.01 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.213 -0.449 . . . . 73.23 110.747 178.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 76.2 mt -97.35 -51.79 4.04 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.362 -0.381 . . . . 74.54 111.857 -175.402 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -130.09 174.33 9.89 Favored 'General case' 0 N--CA 1.448 -0.557 0 CA-C-O 120.729 0.3 . . . . 73.24 110.829 -173.142 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 12.7 p-80 -127.93 166.71 17.8 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.129 -0.487 . . . . 73.14 110.178 176.047 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 75.51 28.65 61.12 Favored Glycine 0 N--CA 1.453 -0.171 0 C-N-CA 120.909 -0.663 . . . . 73.22 112.575 179.157 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . 0.752 HD11 ' HB3' ' A' ' 69' ' ' LEU . 0.7 OUTLIER -85.9 98.94 11.07 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.479 0.657 . . . . 74.12 111.106 -179.138 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . 0.49 ' O ' ' HA ' ' A' ' 96' ' ' VAL . 3.6 mt -98.6 114.98 37.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-N 115.659 -0.701 . . . . 73.0 110.771 -179.642 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . 0.576 ' HH ' HD11 ' A' ' 69' ' ' LEU . 91.4 m-85 -93.79 120.67 34.36 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.609 -0.269 . . . . 62.44 110.42 177.379 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 17.3 ptpt -133.88 140.95 47.17 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-O 120.922 0.391 . . . . 75.14 110.582 178.639 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.46 HD22 ' HE2' ' A' ' 110' ' ' LYS . 47.0 tp -79.55 98.77 7.0 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 109.405 -0.591 . . . . 72.01 109.405 175.475 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -83.95 -24.88 30.47 Favored 'General case' 0 C--N 1.328 -0.369 0 C-N-CA 120.521 -0.472 . . . . 74.45 111.49 -175.663 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 70.6 m -157.83 144.35 17.74 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.871 0.367 . . . . 74.21 111.181 178.493 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 23.1 tm0? -132.64 111.5 11.24 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 108.989 -0.745 . . . . 73.3 108.989 173.079 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' THR . . . . . 0.558 ' O ' ' HB3' ' A' ' 91' ' ' LEU . 4.7 p -144.66 129.22 18.05 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.191 -0.459 . . . . 70.42 110.948 -175.416 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 164.05 177.05 36.49 Favored Glycine 0 N--CA 1.448 -0.533 0 C-N-CA 120.583 -0.818 . . . . 74.43 112.168 178.502 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 46.3 Cg_endo -70.12 166.14 29.05 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.59 2.193 . . . . 64.04 112.144 178.319 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 13.6 p -75.98 -26.07 17.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-O 120.783 0.325 . . . . 73.53 111.436 -178.388 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 39.6 p-80 -79.84 -28.33 40.1 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-O 120.839 0.352 . . . . 74.24 111.051 -179.137 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -148.78 71.57 10.48 Favored Pre-proline 0 C--N 1.328 -0.365 0 CA-C-N 116.301 -0.409 . . . . 73.41 110.705 178.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' PRO . . . . . 0.464 ' O ' ' HA ' ' A' ' 108' ' ' ARG . 37.9 Cg_endo -67.41 143.92 65.49 Favored 'Trans proline' 0 N--CA 1.464 -0.258 0 C-N-CA 122.602 2.201 . . . . 73.41 112.056 -177.14 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.558 ' HB3' ' O ' ' A' ' 84' ' ' THR . 26.4 tp -106.86 135.38 48.5 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.369 0.605 . . . . 75.22 110.651 179.625 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . 0.476 ' O ' ' HA ' ' A' ' 106' ' ' GLN . 9.6 m-85 -113.85 142.01 46.62 Favored 'General case' 0 C--N 1.316 -0.879 0 CA-C-N 115.413 -0.812 . . . . 73.42 109.185 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 11.5 m -121.11 101.97 8.01 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-O 121.001 0.429 . . . . 74.31 110.079 -178.264 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . 0.491 HG21 ' HA ' ' A' ' 114' ' ' ARG . 7.4 mm -98.76 127.67 51.12 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.75 0 CA-C-N 115.467 -0.788 . . . . 75.05 109.81 -179.761 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' SER . . . . . 0.527 ' HB2' ' HD3' ' A' ' 102' ' ' LYS . 5.0 p -106.65 131.88 53.28 Favored 'General case' 0 C--N 1.314 -0.953 0 CA-C-N 115.673 -0.694 . . . . 63.52 110.17 177.396 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . 0.49 ' HA ' ' O ' ' A' ' 77' ' ' ILE . 7.2 p -127.15 123.34 62.01 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.793 0 CA-C-O 121.319 0.58 . . . . 72.54 110.026 175.515 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 16.7 tt0 -96.5 110.48 22.86 Favored 'General case' 0 C--N 1.314 -0.944 0 CA-C-N 115.909 -0.587 . . . . 74.35 109.707 -178.292 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . 0.405 ' HB ' ' CE2' ' A' ' 103' ' ' TYR . 39.6 t -120.68 124.93 73.45 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.841 0 CA-C-N 115.689 -0.687 . . . . 73.33 110.355 -175.533 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 14.8 t70 61.58 8.84 2.45 Favored 'General case' 0 N--CA 1.468 0.427 0 CA-C-N 115.439 -0.8 . . . . 71.21 111.291 -176.305 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 105.7 -13.55 46.34 Favored Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.93 -0.652 . . . . 40.21 111.769 -177.166 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' GLN . . . . . 0.52 ' HB3' ' CE2' ' A' ' 103' ' ' TYR . 11.9 tp60 -86.07 130.11 34.63 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 108.721 -0.844 . . . . 71.14 108.721 177.076 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . 0.527 ' HD3' ' HB2' ' A' ' 95' ' ' SER . 4.0 tmmm? -94.91 106.95 18.97 Favored 'General case' 0 C--N 1.318 -0.788 0 C-N-CA 120.09 -0.644 . . . . 65.55 110.046 -179.052 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 103' ' ' TYR . . . . . 0.52 ' CE2' ' HB3' ' A' ' 101' ' ' GLN . 89.4 m-85 -92.54 143.76 26.02 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 115.507 -0.769 . . . . 72.34 110.003 179.826 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 12.5 tp -118.92 137.76 53.24 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 120.905 0.383 . . . . 74.53 110.731 -175.771 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . 0.44 ' HA3' ' N ' ' A' ' 117' ' ' ALA . . . -134.71 136.68 8.72 Favored Glycine 0 N--CA 1.443 -0.894 0 CA-C-N 115.743 -0.662 . . . . 52.43 111.48 178.253 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . 0.476 ' HA ' ' O ' ' A' ' 92' ' ' PHE . 29.4 mt-30 -124.99 133.28 53.06 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 110.313 -0.254 . . . . 71.23 110.313 -176.414 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -153.27 174.19 31.99 Favored Glycine 0 N--CA 1.446 -0.646 0 C-N-CA 120.952 -0.642 . . . . 73.54 111.729 -179.038 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . 0.464 ' HA ' ' O ' ' A' ' 90' ' ' PRO . 30.0 mmt180 -80.73 8.84 7.19 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 117.03 0.415 . . . . 75.35 111.8 -177.361 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 42.8 m -162.71 165.93 25.01 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 108.972 -0.751 . . . . 73.33 108.972 179.82 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . 0.46 ' HE2' HD22 ' A' ' 80' ' ' LEU . 97.8 mttt -58.22 -42.63 86.7 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 121.035 0.445 . . . . 73.32 110.168 176.878 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 51.3 tttt -58.23 -53.87 53.39 Favored 'General case' 0 N--CA 1.452 -0.332 0 CA-C-N 115.225 -0.898 . . . . 74.43 110.721 -179.384 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . 0.565 ' O ' ' HG2' ' A' ' 116' ' ' GLU . 22.0 t -59.43 -52.32 62.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 115.481 -0.781 . . . . 70.11 110.265 -178.243 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -58.2 -37.44 74.8 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.036 -0.529 . . . . 74.1 111.405 -177.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 114' ' ' ARG . . . . . 0.491 ' HA ' HG21 ' A' ' 94' ' ' ILE . 43.3 ttm180 -65.87 -46.17 79.41 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.074 -0.512 . . . . 75.05 110.649 179.057 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 63.2 mt -63.46 -45.12 98.76 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 116.029 -0.532 . . . . 75.35 111.004 176.411 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . 0.565 ' HG2' ' O ' ' A' ' 112' ' ' VAL . 49.9 mm-40 -61.58 -38.67 88.38 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 120.651 0.263 . . . . 62.11 110.821 177.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . 0.44 ' N ' ' HA3' ' A' ' 105' ' ' GLY . . . -61.33 -47.8 84.24 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-O 121.024 0.44 . . . . 72.11 110.585 176.928 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . 0.478 ' O ' ' HG ' ' A' ' 122' ' ' LEU . . . -63.6 -35.9 82.05 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.85 -0.614 . . . . 63.53 110.566 177.761 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -64.36 -35.97 82.6 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.828 -0.624 . . . . 62.23 110.59 178.008 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 120' ' ' THR . . . . . 0.522 ' HA ' ' NE ' ' A' ' 123' ' ' ARG . 50.5 m -63.6 -41.34 98.33 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.125 0.488 . . . . 72.42 110.277 176.355 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -64.59 -48.44 74.94 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.977 -0.556 . . . . 62.24 110.457 177.653 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . 0.582 ' O ' HD13 ' A' ' 126' ' ' ILE . 48.3 mt -55.54 -52.57 63.25 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.402 -0.363 . . . . 63.15 110.827 179.186 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 123' ' ' ARG . . . . . 0.522 ' NE ' ' HA ' ' A' ' 120' ' ' THR . 14.3 ptp180 -65.11 -13.6 58.45 Favored 'General case' 0 CA--C 1.534 0.336 0 CA-C-N 115.974 -0.557 . . . . 74.42 111.217 -175.162 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 64.0 m -84.19 -27.46 28.01 Favored 'General case' 0 N--CA 1.439 -1.002 0 CA-C-N 116.409 -0.36 . . . . 75.21 111.385 174.881 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 23.3 m-85 -83.48 -49.07 9.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.304 -0.407 . . . . 73.02 111.153 -176.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 126' ' ' ILE . . . . . 0.582 HD13 ' O ' ' A' ' 122' ' ' LEU . 0.2 OUTLIER . . . . . 0 N--CA 1.45 -0.425 0 N-CA-C 109.732 -0.47 . . . . 74.23 109.732 -179.108 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 13.9 p-10 . . . . . 0 CA--C 1.514 -0.417 0 CA-C-O 121.546 0.689 . . . . 71.11 110.328 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 39.4 p -59.91 -24.79 64.6 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 114.593 -1.185 . . . . 71.52 111.605 -177.209 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 46.8 t -56.43 -44.8 81.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 115.592 -0.731 . . . . 73.01 110.881 177.823 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -68.42 -40.04 81.37 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.153 -0.476 . . . . 73.43 110.095 178.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 75.4 mmm -57.94 -40.48 80.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.376 -0.829 . . . . 74.12 111.101 179.053 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.789 ' HB3' HD12 ' A' ' 76' ' ' LEU . 1.3 mt -62.57 -41.52 98.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.956 -0.565 . . . . 75.53 111.127 -179.757 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 41.9 m-80 -61.08 -26.81 67.91 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-N 116.319 -0.4 . . . . 75.34 110.661 179.226 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 16.0 mt-10 -82.05 -26.89 33.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 73.22 111.217 179.567 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 49.6 mt -85.28 -59.67 2.26 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 111.999 0.37 . . . . 72.42 111.999 -176.114 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . 0.618 ' HG2' ' HB2' ' A' ' 99' ' ' ASP . 26.4 tpt180 -142.02 122.79 14.33 Favored 'General case' 0 N--CA 1.447 -0.613 0 C-N-CA 121.058 -0.257 . . . . 72.33 110.939 -173.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 3.3 p-80 -71.6 157.34 38.15 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.628 -0.508 . . . . 51.2 109.628 174.437 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 88.65 41.52 6.01 Favored Glycine 0 N--CA 1.444 -0.785 0 C-N-CA 120.216 -0.992 . . . . 44.15 110.885 -175.897 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . 0.789 HD12 ' HB3' ' A' ' 69' ' ' LEU . 1.0 OUTLIER -105.11 96.91 6.86 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.398 0.618 . . . . 75.2 109.944 178.092 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . 0.535 ' O ' ' HA ' ' A' ' 96' ' ' VAL . 5.0 mp -99.16 107.27 20.26 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 CA-C-N 115.935 -0.575 . . . . 72.11 110.962 -176.826 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . 0.53 ' CD2' ' HB ' ' A' ' 96' ' ' VAL . 88.9 m-85 -85.92 127.02 34.51 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 109.582 -0.525 . . . . 75.53 109.582 175.652 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . 0.462 ' HG2' ' O ' ' A' ' 95' ' ' SER . 15.5 ptpt -134.53 132.79 39.58 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-O 120.917 0.389 . . . . 73.31 110.397 178.895 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.459 HD22 ' HE2' ' A' ' 110' ' ' LYS . 54.2 tp -78.18 99.48 6.23 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 109.158 -0.682 . . . . 74.02 109.158 175.725 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -87.33 -34.39 18.86 Favored 'General case' 0 C--N 1.321 -0.637 0 C-N-CA 120.584 -0.446 . . . . 73.2 111.257 -175.224 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' SER . . . . . 0.524 ' HB2' ' HB ' ' A' ' 93' ' ' THR . 21.8 m -139.36 142.04 37.59 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.414 -0.357 . . . . 74.44 111.071 -175.318 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 20.3 tm0? -143.83 119.37 10.37 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 109.2 -0.667 . . . . 74.54 109.2 175.406 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 9.2 p -144.12 140.06 29.21 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.528 -0.305 . . . . 73.23 111.281 -177.535 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 133.86 172.82 13.0 Favored Glycine 0 N--CA 1.445 -0.726 0 C-N-CA 120.545 -0.836 . . . . 74.32 112.75 175.685 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 57.6 Cg_endo -69.73 176.75 6.33 Favored 'Trans proline' 0 C--O 1.223 -0.226 0 C-N-CA 123.28 2.653 . . . . 72.51 111.737 176.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 27.4 m -86.01 -20.86 7.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 C-N-CA 120.78 -0.368 . . . . 75.31 111.116 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 38.6 p-80 -78.45 -24.52 46.0 Favored 'General case' 0 C--N 1.331 -0.231 0 C-N-CA 120.846 -0.341 . . . . 74.21 110.259 177.704 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -155.4 77.36 4.84 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-N 116.149 -0.478 . . . . 62.24 110.623 177.237 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' PRO . . . . . 0.489 ' O ' ' HA ' ' A' ' 108' ' ' ARG . 10.4 Cg_endo -88.07 141.85 5.28 Favored 'Trans proline' 0 N--CA 1.453 -0.859 0 C-N-CA 122.877 2.385 . . . . 72.11 112.19 -179.14 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 26.9 tp -96.63 135.05 39.08 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-O 121.483 0.658 . . . . 72.44 110.182 176.383 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 30.9 m-85 -119.18 135.77 54.51 Favored 'General case' 0 C--N 1.314 -0.959 0 CA-C-N 115.205 -0.907 . . . . 72.42 109.018 178.876 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' THR . . . . . 0.524 ' HB ' ' HB2' ' A' ' 82' ' ' SER . 16.4 m -119.24 104.04 10.05 Favored 'General case' 0 C--N 1.315 -0.9 0 CA-C-N 116.252 -0.431 . . . . 73.24 110.177 -178.055 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 6.1 mm -101.06 128.73 52.98 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.817 0 CA-C-N 115.589 -0.732 . . . . 72.41 109.881 -179.1 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' SER . . . . . 0.462 ' O ' ' HG2' ' A' ' 79' ' ' LYS . 1.4 p -110.5 121.75 46.07 Favored 'General case' 0 C--N 1.312 -1.026 0 N-CA-C 109.85 -0.426 . . . . 62.21 109.85 174.749 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . 0.535 ' HA ' ' O ' ' A' ' 77' ' ' ILE . 7.4 p -111.84 122.71 66.68 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.784 0 CA-C-O 121.42 0.629 . . . . 75.52 110.046 176.815 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . 0.474 ' HA ' ' HA ' ' A' ' 102' ' ' LYS . 12.4 tt0 -101.12 109.78 21.71 Favored 'General case' 0 C--N 1.311 -1.084 0 N-CA-C 109.122 -0.696 . . . . 75.41 109.122 178.86 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 15.0 t -115.28 122.77 69.94 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.731 0 CA-C-N 115.576 -0.738 . . . . 61.42 110.103 -175.394 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . 0.618 ' HB2' ' HG2' ' A' ' 73' ' ' ARG . 33.9 t70 60.74 8.52 1.82 Allowed 'General case' 0 N--CA 1.47 0.54 0 CA-C-N 115.703 -0.68 . . . . 72.55 111.904 -179.004 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 111.43 -9.53 28.52 Favored Glycine 0 N--CA 1.449 -0.441 0 C-N-CA 121.07 -0.586 . . . . 63.22 112.337 -177.814 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 6.2 mm-40 -96.95 124.26 40.88 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 110.37 -0.233 . . . . 73.31 110.37 177.464 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . 0.474 ' HA ' ' HA ' ' A' ' 97' ' ' GLU . 0.0 OUTLIER -95.04 116.32 28.55 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 121.038 0.447 . . . . 74.54 110.8 -177.546 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 54.1 m-85 -106.88 132.63 52.62 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.718 -0.673 . . . . 75.22 109.898 178.568 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . 0.4 HD11 HG22 ' A' ' 93' ' ' THR . 13.6 tp -102.92 141.71 35.26 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 120.759 0.314 . . . . 73.33 110.801 -176.875 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -136.39 133.08 6.37 Favored Glycine 0 N--CA 1.447 -0.591 0 C-N-CA 121.039 -0.6 . . . . 36.69 111.679 177.373 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . 0.516 ' HG2' HG21 ' A' ' 93' ' ' THR . 32.7 mt-30 -124.4 122.86 38.82 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 120.919 0.39 . . . . 74.03 111.081 -176.561 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -143.57 177.05 22.61 Favored Glycine 0 N--CA 1.449 -0.451 0 N-CA-C 111.259 -0.736 . . . . 71.33 111.259 -178.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . 0.489 ' HA ' ' O ' ' A' ' 90' ' ' PRO . 20.7 mmt180 -86.77 12.1 11.65 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 117.473 0.637 . . . . 74.1 110.712 -177.188 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 109' ' ' SER . . . . . 0.503 ' HB2' HG22 ' A' ' 112' ' ' VAL . 25.3 m -161.5 159.7 28.23 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 109.101 -0.703 . . . . 70.33 109.101 -179.476 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . 0.459 ' HE2' HD22 ' A' ' 80' ' ' LEU . 99.5 mttt -58.45 -43.84 88.96 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-O 121.098 0.475 . . . . 73.43 110.068 178.159 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 59.1 tttt -55.43 -52.4 63.73 Favored 'General case' 0 N--CA 1.453 -0.318 0 CA-C-N 115.119 -0.946 . . . . 71.4 110.952 178.127 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . 0.503 HG22 ' HB2' ' A' ' 109' ' ' SER . 31.3 t -61.98 -49.92 82.2 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 115.527 -0.76 . . . . 61.21 110.721 -177.69 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -58.94 -38.04 78.1 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.966 -0.561 . . . . 73.4 111.324 -178.327 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 61.2 ttt180 -65.59 -41.99 92.21 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.931 -0.577 . . . . 75.43 110.526 179.228 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 73.3 mt -63.95 -47.37 90.83 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.342 0 CA-C-N 116.049 -0.523 . . . . 74.0 111.147 175.39 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . 0.421 ' HG2' ' O ' ' A' ' 112' ' ' VAL . 5.8 mm-40 -59.43 -38.94 81.97 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.024 0.44 . . . . 64.34 111.257 179.402 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . 0.511 ' HB3' HG13 ' A' ' 96' ' ' VAL . . . -63.97 -47.23 81.2 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.034 -0.53 . . . . 64.41 110.384 177.246 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . 0.528 ' O ' ' HG ' ' A' ' 122' ' ' LEU . . . -66.39 -34.12 77.25 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.647 -0.706 . . . . 75.45 111.464 -179.393 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -61.36 -43.53 98.72 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 121.108 0.48 . . . . 63.14 110.298 178.531 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 120' ' ' THR . . . . . 0.434 ' O ' ' HG2' ' A' ' 123' ' ' ARG . 25.7 m -62.51 -38.78 91.28 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.411 -0.813 . . . . 75.41 110.361 177.373 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -61.45 -51.59 68.07 Favored 'General case' 0 N--CA 1.45 -0.437 0 CA-C-N 115.745 -0.661 . . . . 65.32 110.652 178.069 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . 0.528 ' HG ' ' O ' ' A' ' 118' ' ' ALA . 44.3 mt -54.86 -49.14 71.86 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.889 0.376 . . . . 71.55 111.025 -177.888 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 123' ' ' ARG . . . . . 0.434 ' HG2' ' O ' ' A' ' 120' ' ' THR . 3.8 ptm180 -68.63 -12.05 60.86 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.913 -0.585 . . . . 75.42 111.336 -175.718 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 25.2 t -88.79 -26.06 21.91 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.692 -0.231 . . . . 73.21 111.01 175.591 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 68.7 m-85 -82.6 -55.76 4.27 Favored 'General case' 0 CA--C 1.518 -0.288 0 CA-C-O 120.814 0.34 . . . . 65.24 110.811 -178.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 126' ' ' ILE . . . . . 0.432 HD12 ' O ' ' A' ' 122' ' ' LEU . 0.2 OUTLIER . . . . . 0 N--CA 1.448 -0.545 0 CA-C-O 121.529 0.68 . . . . 74.54 110.529 -178.359 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . 0.59 ' ND2' ' HB ' ' A' ' 66' ' ' VAL . 12.7 p-10 . . . . . 0 CA--C 1.516 -0.329 0 CA-C-O 121.369 0.605 . . . . 64.14 110.263 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' THR . . . . . 0.525 ' HA ' ' HG3' ' A' ' 68' ' ' MET . 30.7 p -59.42 -27.38 65.99 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 115.176 -0.92 . . . . 61.22 111.009 -179.915 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.59 ' HB ' ' ND2' ' A' ' 64' ' ' ASN . 33.4 t -57.76 -39.21 69.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 115.262 -0.881 . . . . 71.13 110.557 176.105 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -69.5 -38.28 77.56 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.962 -0.563 . . . . 70.4 110.339 178.786 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' MET . . . . . 0.525 ' HG3' ' HA ' ' A' ' 65' ' ' THR . 15.7 mtp -65.36 -36.37 83.79 Favored 'General case' 0 CA--C 1.521 -0.154 0 CA-C-N 115.991 -0.55 . . . . 74.34 109.823 179.169 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.827 ' HB3' HD13 ' A' ' 76' ' ' LEU . 1.8 mt -62.78 -35.27 79.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.897 -0.592 . . . . 71.03 111.067 178.88 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 20.6 m-80 -69.92 -24.49 63.38 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.309 0.576 . . . . 75.25 110.232 179.384 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -82.49 -25.93 33.04 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.303 -0.862 . . . . 60.43 110.723 177.716 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 85.6 mt -90.2 -65.57 1.0 Allowed 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.304 -0.407 . . . . 71.13 111.637 -177.589 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . 0.604 ' HG2' ' HB2' ' A' ' 99' ' ' ASP . 10.7 tpt180 -143.1 117.5 9.66 Favored 'General case' 0 N--CA 1.449 -0.481 0 CA-C-O 120.498 0.19 . . . . 74.43 110.66 -172.587 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 4.8 p-80 -72.15 161.33 31.03 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 109.706 -0.479 . . . . 75.34 109.706 173.833 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . 0.444 ' O ' ' HA ' ' A' ' 98' ' ' VAL . . . 90.41 44.12 4.73 Favored Glycine 0 N--CA 1.438 -1.178 0 C-N-CA 120.0 -1.095 . . . . 71.31 110.474 -174.025 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . 0.827 HD13 ' HB3' ' A' ' 69' ' ' LEU . 0.9 OUTLIER -110.1 94.57 5.08 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.424 0.63 . . . . 75.32 109.919 179.548 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . 0.434 ' O ' ' HA ' ' A' ' 96' ' ' VAL . 5.0 mp -95.25 110.02 23.38 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.761 0 CA-C-N 116.006 -0.543 . . . . 71.42 110.731 -176.062 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . 0.667 ' HH ' HD11 ' A' ' 69' ' ' LEU . 86.9 m-85 -89.54 129.36 36.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.137 -0.483 . . . . 73.53 110.214 176.32 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 17.4 ptpt -139.74 143.68 37.11 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 116.386 -0.37 . . . . 63.12 110.23 175.758 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.509 HD23 ' HE2' ' A' ' 110' ' ' LYS . 40.4 tp -82.66 118.75 23.56 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 109.379 -0.6 . . . . 72.13 109.379 177.758 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . 0.406 ' OE1' ' HB3' ' A' ' 95' ' ' SER . 7.6 pt-20 -106.22 -30.44 9.2 Favored 'General case' 0 C--N 1.323 -0.549 0 C-N-CA 119.999 -0.68 . . . . 73.23 111.97 -178.767 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' SER . . . . . 0.545 ' HB2' ' HB ' ' A' ' 93' ' ' THR . 50.5 m -139.72 146.1 39.17 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 120.735 0.303 . . . . 74.55 110.592 -179.918 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 22.0 tm0? -148.24 124.1 10.61 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 109.751 -0.463 . . . . 73.23 109.751 178.385 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 19.4 p -143.89 -168.16 2.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.262 -0.426 . . . . 73.42 110.529 -179.149 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 92.41 179.96 40.73 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.947 -0.644 . . . . 60.24 113.047 175.286 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -71.15 -163.48 0.13 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 123.515 2.81 . . . . 64.03 112.348 177.146 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 35.4 m -104.42 -23.98 4.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 C-N-CA 120.705 -0.398 . . . . 75.2 110.794 176.915 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 50.3 p-80 -83.38 -26.34 30.55 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.13 -0.486 . . . . 64.11 110.538 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -156.1 70.57 5.11 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 120.839 0.352 . . . . 73.25 110.655 179.24 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' PRO . . . . . 0.525 ' O ' ' HA ' ' A' ' 108' ' ' ARG . 3.2 Cg_exo -77.47 178.41 7.66 Favored 'Trans proline' 0 N--CA 1.457 -0.653 0 C-N-CA 122.732 2.288 . . . . 74.31 112.213 -176.727 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 19.2 tp -121.47 130.7 53.72 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 115.826 -0.625 . . . . 72.0 110.035 175.363 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . 0.488 ' O ' ' HA ' ' A' ' 106' ' ' GLN . 25.4 m-85 -118.38 137.55 53.05 Favored 'General case' 0 C--N 1.31 -1.111 0 CA-C-N 115.274 -0.875 . . . . 73.2 109.186 -178.742 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' THR . . . . . 0.545 ' HB ' ' HB2' ' A' ' 82' ' ' SER . 6.7 m -117.13 103.24 10.01 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-O 121.179 0.514 . . . . 75.21 110.149 -178.594 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 7.1 mm -98.87 127.63 51.29 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.857 0 CA-C-N 115.407 -0.815 . . . . 75.22 109.801 -178.343 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' SER . . . . . 0.559 ' CB ' ' HD3' ' A' ' 102' ' ' LYS . 0.3 OUTLIER -101.97 120.18 39.98 Favored 'General case' 0 C--N 1.311 -1.096 0 CA-C-N 115.812 -0.631 . . . . 63.34 109.832 174.106 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . 0.515 ' HB ' ' CD1' ' A' ' 78' ' ' TYR . 9.4 p -108.61 124.98 65.5 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.828 0 CA-C-O 121.361 0.6 . . . . 74.25 110.091 176.941 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 20.9 tt0 -101.3 110.73 22.78 Favored 'General case' 0 C--N 1.309 -1.175 0 CA-C-N 115.505 -0.771 . . . . 72.21 109.047 177.462 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . 0.488 ' C ' ' H ' ' A' ' 100' ' ' GLY . 13.9 t -123.0 129.41 75.11 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 CA-C-N 115.898 -0.592 . . . . 74.35 109.999 -176.093 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . 0.604 ' HB2' ' HG2' ' A' ' 73' ' ' ARG . 28.4 t70 66.81 -11.61 0.25 Allowed 'General case' 0 N--CA 1.471 0.587 0 CA-C-O 121.36 0.6 . . . . 62.21 111.928 179.515 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 100' ' ' GLY . . . . . 0.488 ' H ' ' C ' ' A' ' 98' ' ' VAL . . . 119.19 3.42 13.08 Favored Glycine 0 N--CA 1.446 -0.672 0 N-CA-C 111.499 -0.64 . . . . 74.33 111.499 -173.802 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 101' ' ' GLN . . . . . 0.473 ' HA ' ' NE2' ' A' ' 101' ' ' GLN . 13.2 mm-40 -110.68 136.94 49.01 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.805 0.336 . . . . 74.51 110.702 176.023 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . 0.559 ' HD3' ' CB ' ' A' ' 95' ' ' SER . 1.8 tmmm? -102.22 117.55 35.01 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-O 121.185 0.517 . . . . 75.42 110.106 -176.148 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 103' ' ' TYR . . . . . 0.461 ' HB3' ' HB ' ' A' ' 120' ' ' THR . 48.8 m-85 -108.55 148.92 29.58 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 115.445 -0.798 . . . . 74.14 109.544 178.378 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 13.3 tp -114.59 147.75 39.04 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 120.758 0.313 . . . . 75.03 110.73 -175.779 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . 0.44 ' HA3' ' N ' ' A' ' 117' ' ' ALA . . . -147.91 137.33 6.45 Favored Glycine 0 N--CA 1.445 -0.709 0 N-CA-C 111.533 -0.627 . . . . 75.23 111.533 176.864 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . 0.501 ' HG2' HG21 ' A' ' 93' ' ' THR . 21.7 mt-30 -121.74 122.78 40.32 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 120.805 0.336 . . . . 75.4 110.19 -177.867 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -136.9 177.86 19.38 Favored Glycine 0 N--CA 1.448 -0.554 0 C-N-CA 120.881 -0.676 . . . . 71.34 111.739 -177.011 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . 0.525 ' HA ' ' O ' ' A' ' 90' ' ' PRO . 5.9 mmt180 -83.76 3.02 35.16 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.243 0.544 . . . . 65.14 111.062 -176.441 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 70.8 m -163.56 164.38 24.25 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 108.672 -0.862 . . . . 64.43 108.672 -178.574 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . 0.509 ' HE2' HD23 ' A' ' 80' ' ' LEU . 84.5 mttt -58.96 -39.93 83.19 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 121.04 0.448 . . . . 75.23 110.113 179.296 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 52.7 tttp -62.18 -50.9 69.97 Favored 'General case' 0 N--CA 1.449 -0.476 0 CA-C-N 115.37 -0.832 . . . . 74.41 110.856 179.675 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 46.7 t -61.74 -47.1 94.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 115.86 -0.609 . . . . 64.45 111.11 179.498 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -63.67 -34.87 78.81 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.908 0.385 . . . . 71.02 111.122 -178.824 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 63.5 ttt180 -61.54 -41.55 97.52 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.893 -0.594 . . . . 75.51 109.614 176.471 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 115' ' ' ILE . . . . . 0.401 HG12 ' HB2' ' A' ' 64' ' ' ASN . 74.5 mt -65.08 -49.26 80.33 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.304 0 CA-C-N 115.474 -0.784 . . . . 74.25 111.067 174.693 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 47.4 mm-40 -55.41 -43.76 75.56 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.656 0.265 . . . . 74.43 111.485 179.022 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . 0.485 ' HB1' HG11 ' A' ' 96' ' ' VAL . . . -63.17 -43.21 98.88 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.13 0.491 . . . . 73.13 110.991 179.33 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . 0.558 ' O ' ' HG ' ' A' ' 122' ' ' LEU . . . -65.4 -32.61 74.33 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.632 -0.713 . . . . 72.41 111.002 -179.404 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -59.29 -42.48 91.41 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.263 -0.426 . . . . 73.45 110.955 178.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 120' ' ' THR . . . . . 0.461 ' HB ' ' HB3' ' A' ' 103' ' ' TYR . 19.4 m -65.18 -40.79 94.75 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.863 -0.608 . . . . 74.32 110.735 178.037 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -60.23 -51.42 69.65 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.14 -0.482 . . . . 63.11 110.42 177.781 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . 0.558 ' HG ' ' O ' ' A' ' 118' ' ' ALA . 52.4 mt -50.14 -53.06 30.21 Favored 'General case' 0 CA--C 1.521 -0.146 0 CA-C-N 115.718 -0.674 . . . . 75.33 111.391 -178.677 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 13.7 ptm180 -68.13 -17.76 64.45 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.95 -0.568 . . . . 74.4 111.826 -173.733 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 24.7 t -75.24 -30.36 60.51 Favored 'General case' 0 C--N 1.325 -0.463 0 C-N-CA 120.728 -0.389 . . . . 75.32 110.168 176.462 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 70.8 m-85 -79.42 -56.71 4.12 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.071 -0.513 . . . . 73.3 111.175 -178.487 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 126' ' ' ILE . . . . . 0.506 HD12 ' O ' ' A' ' 122' ' ' LEU . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.483 0 CA-C-O 121.301 0.572 . . . . 73.42 109.855 179.079 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 3.1 p-10 . . . . . 0 C--O 1.239 0.537 0 CA-C-O 122.379 1.085 . . . . 65.15 111.5 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' THR . . . . . 0.431 HG21 HD13 ' A' ' 122' ' ' LEU . 19.6 p -62.09 -22.17 65.57 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 113.871 -1.513 . . . . 74.12 113.269 -170.372 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 1.1 m -67.28 -31.48 53.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 121.004 0.43 . . . . 74.13 110.338 -176.717 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -75.32 -40.38 58.47 Favored 'General case' 0 N--CA 1.452 -0.362 0 N-CA-C 109.061 -0.718 . . . . 73.43 109.061 175.584 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 81.3 mmm -56.65 -45.43 81.62 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 114.969 -1.014 . . . . 74.23 110.864 176.57 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.742 ' HB3' HD13 ' A' ' 76' ' ' LEU . 0.7 OUTLIER -61.4 -36.61 80.76 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.13 -0.486 . . . . 73.14 111.601 179.697 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . 0.439 ' ND2' HD12 ' A' ' 76' ' ' LEU . 10.7 m-80 -66.1 -25.54 67.05 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-O 120.93 0.395 . . . . 63.43 110.52 -178.392 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -81.76 -26.51 34.43 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.605 -0.725 . . . . 74.52 110.998 178.841 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 59.2 mt -89.59 -58.19 2.61 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 112.098 0.407 . . . . 71.51 112.098 -176.393 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . 0.638 ' HG3' ' CZ ' ' A' ' 125' ' ' PHE . 2.6 mmp_? -135.4 167.77 20.44 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.122 0.487 . . . . 74.42 111.686 -174.003 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 1.8 p-80 -115.75 169.52 9.15 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.537 -0.756 . . . . 75.55 110.087 177.53 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 74.58 21.81 78.18 Favored Glycine 0 N--CA 1.446 -0.685 0 C-N-CA 120.55 -0.833 . . . . 75.42 111.939 -176.844 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . 0.811 ' H ' HD23 ' A' ' 76' ' ' LEU . 1.1 pt? -76.88 79.69 3.45 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.597 0.713 . . . . 72.41 110.081 178.697 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . 0.436 ' O ' ' HA ' ' A' ' 96' ' ' VAL . 3.7 mt -82.46 106.52 13.43 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.7 0 CA-C-N 115.391 -0.822 . . . . 74.24 110.814 -176.269 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . 0.479 ' HH ' HD12 ' A' ' 69' ' ' LEU . 93.2 m-85 -84.84 109.82 18.38 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 109.503 -0.555 . . . . 73.4 109.503 174.262 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . 0.487 ' HG2' ' O ' ' A' ' 95' ' ' SER . 17.1 ptpt -121.07 124.44 44.8 Favored 'General case' 0 C--N 1.315 -0.915 0 CA-C-N 115.743 -0.662 . . . . 74.21 109.905 -177.005 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 44.9 tp -73.78 111.68 9.16 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 108.717 -0.845 . . . . 73.23 108.717 177.768 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -93.31 -29.26 15.74 Favored 'General case' 0 C--N 1.323 -0.555 0 C-N-CA 120.154 -0.618 . . . . 75.4 111.691 -176.027 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 47.0 m -156.77 151.98 26.39 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.555 -0.293 . . . . 71.52 110.56 179.385 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 24.3 tm0? -151.6 116.96 5.32 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.261 -0.427 . . . . 74.23 109.872 177.209 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 2.3 p -152.98 164.65 37.56 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.139 -0.482 . . . . 72.31 110.258 179.577 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 137.38 -173.95 22.0 Favored Glycine 0 N--CA 1.448 -0.53 0 C-N-CA 120.813 -0.708 . . . . 61.55 112.2 177.865 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 65.5 Cg_endo -72.04 173.8 12.31 Favored 'Trans proline' 0 C--N 1.344 0.296 0 C-N-CA 123.073 2.515 . . . . 71.34 111.432 177.588 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 9.5 p -87.49 -27.25 5.72 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 C-N-CA 120.517 -0.473 . . . . 73.11 110.601 -179.794 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 34.5 p-80 -72.55 -27.33 62.16 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.893 0.378 . . . . 74.22 110.405 179.549 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -156.57 73.25 4.83 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-N 116.112 -0.495 . . . . 74.24 110.755 179.128 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 37.4 Cg_endo -70.55 146.04 54.24 Favored 'Trans proline' 0 N--CA 1.461 -0.424 0 C-N-CA 122.277 1.984 . . . . 74.44 111.856 179.435 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 15.3 tp -98.8 133.08 43.61 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-O 121.456 0.646 . . . . 55.14 110.397 179.633 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . 0.557 ' O ' ' HA ' ' A' ' 106' ' ' GLN . 18.4 m-85 -114.77 132.99 56.27 Favored 'General case' 0 C--N 1.312 -1.025 0 CA-C-N 115.048 -0.978 . . . . 71.21 108.781 178.066 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' THR . . . . . 0.531 HG23 ' HG2' ' A' ' 106' ' ' GLN . 11.8 m -113.38 98.69 7.25 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-O 121.218 0.532 . . . . 64.52 110.219 -177.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . 0.496 HG21 ' HA ' ' A' ' 114' ' ' ARG . 4.8 mm -97.27 128.82 48.16 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.76 0 CA-C-N 115.382 -0.827 . . . . 74.42 110.037 -179.357 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' SER . . . . . 0.503 ' HB2' ' HD3' ' A' ' 102' ' ' LYS . 3.9 p -109.05 120.16 41.72 Favored 'General case' 0 C--N 1.308 -1.218 0 CA-C-N 115.517 -0.765 . . . . 65.52 109.642 175.668 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . 0.528 HG12 ' HB1' ' A' ' 117' ' ' ALA . 14.4 p -103.23 126.42 57.58 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.777 0 C-N-CA 120.166 -0.613 . . . . 74.11 109.355 175.472 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 13.9 tt0 -107.05 107.68 18.79 Favored 'General case' 0 C--N 1.31 -1.145 0 N-CA-C 109.437 -0.579 . . . . 62.44 109.437 -179.1 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . 0.414 HG21 ' HA ' ' A' ' 76' ' ' LEU . 26.1 t -121.7 124.94 72.67 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.875 0 CA-C-N 115.846 -0.616 . . . . 64.03 110.225 -174.418 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 4.1 t70 56.77 20.98 5.55 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.756 -0.656 . . . . 71.01 110.992 -177.488 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 97.85 -9.65 63.98 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.813 -0.708 . . . . 75.04 112.416 -179.064 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 101' ' ' GLN . . . . . 0.448 ' HA ' ' NE2' ' A' ' 101' ' ' GLN . 16.2 mm-40 -95.0 129.83 41.91 Favored 'General case' 0 CA--C 1.511 -0.548 0 CA-C-O 121.011 0.434 . . . . 63.11 110.756 -179.874 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . 0.503 ' HD3' ' HB2' ' A' ' 95' ' ' SER . 2.8 tmmm? -99.92 117.19 33.7 Favored 'General case' 0 C--N 1.316 -0.857 0 CA-C-N 115.9 -0.591 . . . . 74.12 110.164 -176.922 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 103' ' ' TYR . . . . . 0.541 ' HB3' ' HB ' ' A' ' 120' ' ' THR . 32.4 m-85 -108.39 134.62 50.95 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 108.878 -0.786 . . . . 73.2 108.878 178.792 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . 0.44 HD13 HG21 ' A' ' 93' ' ' THR . 13.1 tp -107.41 139.33 42.06 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 121.057 0.456 . . . . 62.34 111.728 -173.5 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -134.93 140.61 11.87 Favored Glycine 0 N--CA 1.445 -0.744 0 N-CA-C 110.99 -0.844 . . . . 75.54 110.99 175.743 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . 0.557 ' HA ' ' O ' ' A' ' 92' ' ' PHE . 30.0 mt-30 -131.1 100.77 5.33 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 121.005 0.431 . . . . 74.24 110.72 -175.137 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -117.03 -178.48 17.79 Favored Glycine 0 N--CA 1.442 -0.914 0 C-N-CA 120.671 -0.776 . . . . 64.24 112.173 -170.864 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 38.2 mmt-85 -87.14 2.53 49.55 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.5 0.667 . . . . 74.53 109.682 -179.71 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 58.8 m -162.66 162.77 27.12 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.308 -0.86 . . . . 75.31 109.083 -178.678 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 99.8 mttt -56.2 -39.95 73.23 Favored 'General case' 0 C--N 1.33 -0.272 0 O-C-N 123.324 0.39 . . . . 72.23 110.728 179.236 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 79.4 tttt -64.54 -50.99 65.15 Favored 'General case' 0 N--CA 1.453 -0.32 0 CA-C-N 116.273 -0.421 . . . . 71.12 111.139 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 61.1 t -58.64 -46.29 90.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.291 -0.413 . . . . 75.32 110.873 179.872 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -61.77 -37.63 85.04 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.046 0.451 . . . . 74.21 110.691 179.061 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 114' ' ' ARG . . . . . 0.496 ' HA ' HG21 ' A' ' 94' ' ' ILE . 20.7 ttm180 -62.63 -40.2 96.25 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.441 -0.8 . . . . 70.44 110.092 176.632 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 90.6 mt -66.89 -46.19 85.73 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.215 0 CA-C-N 116.041 -0.527 . . . . 65.15 111.27 177.396 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 27.7 mt-10 -58.6 -42.99 89.38 Favored 'General case' 0 C--O 1.236 0.351 0 CA-C-O 121.097 0.475 . . . . 74.32 110.601 179.138 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . 0.528 ' HB1' HG12 ' A' ' 96' ' ' VAL . . . -62.18 -47.98 82.08 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.74 -0.664 . . . . 73.42 110.648 178.941 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . 0.501 ' O ' ' HG ' ' A' ' 122' ' ' LEU . . . -64.7 -35.46 81.13 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.933 -0.576 . . . . 74.11 111.444 -179.072 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -60.91 -34.76 75.17 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.14 0.495 . . . . 71.4 110.724 178.658 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 120' ' ' THR . . . . . 0.615 ' O ' ' HG2' ' A' ' 123' ' ' ARG . 21.3 m -74.41 -37.01 63.48 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.732 -0.667 . . . . 70.14 110.334 178.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -62.91 -45.17 93.77 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.204 -0.453 . . . . 74.01 110.341 176.583 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . 0.501 ' HG ' ' O ' ' A' ' 118' ' ' ALA . 36.2 mt -57.24 -49.95 74.43 Favored 'General case' 0 C--N 1.334 -0.105 0 CA-C-N 116.172 -0.467 . . . . 72.25 111.28 -179.916 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 123' ' ' ARG . . . . . 0.615 ' HG2' ' O ' ' A' ' 120' ' ' THR . 2.8 ptm180 -66.57 -14.4 62.31 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-N 116.114 -0.494 . . . . 74.35 111.048 -176.672 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 16.4 t -81.73 -29.12 33.03 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.324 -0.398 . . . . 63.04 110.352 175.767 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 125' ' ' PHE . . . . . 0.638 ' CZ ' ' HG3' ' A' ' 73' ' ' ARG . 43.0 m-85 -86.44 -58.53 2.58 Favored 'General case' 0 CA--C 1.518 -0.278 0 CA-C-O 121.01 0.433 . . . . 75.53 110.265 -179.468 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 126' ' ' ILE . . . . . 0.47 HD13 ' O ' ' A' ' 122' ' ' LEU . 0.2 OUTLIER . . . . . 0 C--N 1.322 -0.627 0 CA-C-O 121.352 0.596 . . . . 75.33 109.584 177.722 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . 0.671 ' ND2' HG21 ' A' ' 66' ' ' VAL . 27.2 p-10 . . . . . 0 N--CA 1.451 -0.395 0 CA-C-O 122.064 0.935 . . . . 55.02 112.178 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 26.4 p -70.84 -24.16 62.47 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 114.521 -1.218 . . . . 75.13 111.955 -176.565 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.671 HG21 ' ND2' ' A' ' 64' ' ' ASN . 1.0 OUTLIER -68.02 -30.54 48.49 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.164 0 CA-C-O 120.944 0.402 . . . . 75.42 110.118 -177.684 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -71.6 -42.69 67.41 Favored 'General case' 0 N--CA 1.452 -0.358 0 N-CA-C 109.09 -0.707 . . . . 73.42 109.09 175.092 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 74.3 mmm -54.62 -41.5 70.06 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.179 -0.919 . . . . 63.05 110.412 175.847 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.746 ' HB3' HD12 ' A' ' 76' ' ' LEU . 1.2 mt -64.18 -35.76 81.83 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.764 -0.653 . . . . 71.42 111.757 -178.934 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 22.1 m-80 -68.23 -24.81 64.96 Favored 'General case' 0 CA--C 1.516 -0.348 0 CA-C-O 121.451 0.643 . . . . 71.31 110.094 -177.909 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 23.9 mm-40 -79.78 -26.26 40.68 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.244 -0.889 . . . . 63.04 110.542 178.402 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 88.7 mt -88.44 -60.35 1.98 Allowed 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.838 -0.619 . . . . 75.04 111.325 -179.52 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 4.8 tpt180 -144.88 123.09 12.19 Favored 'General case' 0 N--CA 1.443 -0.776 0 CA-C-N 116.411 -0.358 . . . . 64.12 110.413 -172.27 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 7.6 p-80 -84.83 173.22 10.8 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 110.055 -0.35 . . . . 75.42 110.055 176.512 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 81.66 29.94 37.68 Favored Glycine 0 N--CA 1.444 -0.767 0 C-N-CA 120.276 -0.964 . . . . 63.31 110.812 -174.375 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . 0.831 ' H ' HD23 ' A' ' 76' ' ' LEU . 1.6 pt? -97.71 92.04 5.68 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.454 0.645 . . . . 73.3 110.19 -178.753 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . 0.448 ' O ' ' HA ' ' A' ' 96' ' ' VAL . 4.5 mp -89.39 114.43 27.39 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.681 0 CA-C-N 116.104 -0.498 . . . . 74.54 110.722 -177.406 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . 0.5 ' HH ' HD12 ' A' ' 69' ' ' LEU . 93.3 m-85 -91.53 123.54 35.02 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.028 -0.533 . . . . 71.22 109.936 175.54 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 13.6 ptpt -133.47 138.75 46.31 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-O 120.906 0.384 . . . . 73.11 110.449 179.382 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 41.2 tp -79.3 104.22 9.77 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 109.198 -0.667 . . . . 74.44 109.198 176.068 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -92.23 -28.35 17.07 Favored 'General case' 0 C--N 1.325 -0.467 0 C-N-CA 120.507 -0.477 . . . . 73.11 111.483 -175.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 50.1 m -151.95 157.93 42.44 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 120.754 0.312 . . . . 75.22 110.914 -178.815 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . 0.493 ' NE2' ' HB2' ' A' ' 90' ' ' PRO . 23.2 tm0? -150.75 112.64 4.52 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 109.064 -0.717 . . . . 74.4 109.064 179.51 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' THR . . . . . 0.48 ' O ' ' HB3' ' A' ' 91' ' ' LEU . 40.9 p -141.68 151.49 43.06 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.37 -0.377 . . . . 74.45 110.688 -175.132 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 138.92 -171.21 23.7 Favored Glycine 0 N--CA 1.449 -0.473 0 C-N-CA 120.085 -1.055 . . . . 75.33 112.944 173.381 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -73.77 169.23 22.86 Favored 'Trans proline' 0 N--CA 1.465 -0.187 0 C-N-CA 123.103 2.536 . . . . 71.15 112.094 179.048 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 10.0 p -81.4 -25.17 10.17 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-N 116.609 -0.269 . . . . 71.53 110.817 -179.134 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 41.1 p-80 -76.64 -35.26 58.12 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-O 120.8 0.334 . . . . 74.35 110.756 -179.425 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -147.45 70.85 11.75 Favored Pre-proline 0 C--N 1.325 -0.46 0 CA-C-N 116.297 -0.41 . . . . 74.14 110.673 -179.355 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' PRO . . . . . 0.493 ' HB2' ' NE2' ' A' ' 83' ' ' GLN . 33.4 Cg_endo -67.27 146.23 74.9 Favored 'Trans proline' 0 N--CA 1.458 -0.577 0 C-N-CA 122.304 2.003 . . . . 73.12 112.021 -177.56 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.48 ' HB3' ' O ' ' A' ' 84' ' ' THR . 17.7 tp -98.19 134.07 41.75 Favored 'General case' 0 C--N 1.316 -0.864 0 CA-C-O 121.295 0.569 . . . . 65.22 110.149 -179.03 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . 0.567 ' O ' ' HA ' ' A' ' 106' ' ' GLN . 15.0 m-85 -112.82 140.0 47.98 Favored 'General case' 0 C--N 1.312 -1.048 0 CA-C-N 115.491 -0.777 . . . . 74.52 109.05 -178.918 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' THR . . . . . 0.403 HG22 HD12 ' A' ' 104' ' ' LEU . 15.5 m -118.66 98.99 6.51 Favored 'General case' 0 N--CA 1.444 -0.764 0 CA-C-O 121.225 0.536 . . . . 74.22 110.372 -175.468 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 6.4 mm -97.32 126.05 50.24 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.722 0 CA-C-N 115.244 -0.889 . . . . 75.12 109.928 -179.765 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' SER . . . . . 0.509 ' HB2' ' HD3' ' A' ' 102' ' ' LYS . 0.3 OUTLIER -101.4 128.11 47.74 Favored 'General case' 0 C--N 1.313 -1.008 0 CA-C-N 115.951 -0.568 . . . . 36.43 109.845 174.664 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . 0.476 HG13 ' HB2' ' A' ' 117' ' ' ALA . 7.5 p -118.97 124.68 73.59 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.869 0 CA-C-O 121.363 0.601 . . . . 72.23 109.966 177.651 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 24.2 tt0 -97.66 118.79 34.97 Favored 'General case' 0 C--N 1.311 -1.077 0 CA-C-N 115.634 -0.712 . . . . 74.42 109.346 177.909 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 15.5 t -121.63 116.02 48.23 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.671 0 CA-C-N 115.915 -0.584 . . . . 74.31 110.079 -177.288 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 21.7 t70 60.51 4.42 0.71 Allowed 'General case' 0 N--CA 1.469 0.501 0 CA-C-N 115.11 -0.95 . . . . 74.4 112.274 -176.659 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 122.35 -22.27 7.5 Favored Glycine 0 N--CA 1.447 -0.608 0 C-N-CA 120.894 -0.669 . . . . 71.34 112.044 -177.235 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 101' ' ' GLN . . . . . 0.501 ' HB3' ' CE1' ' A' ' 103' ' ' TYR . 9.7 tp60 -80.86 131.05 35.34 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 109.211 -0.662 . . . . 54.31 109.211 178.109 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . 0.509 ' HD3' ' HB2' ' A' ' 95' ' ' SER . 0.6 OUTLIER -100.63 112.13 24.47 Favored 'General case' 0 C--N 1.321 -0.667 0 C-N-CA 120.526 -0.47 . . . . 72.43 110.135 -178.098 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 103' ' ' TYR . . . . . 0.501 ' CE1' ' HB3' ' A' ' 101' ' ' GLN . 62.8 m-85 -101.04 158.32 16.1 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.66 -0.7 . . . . 75.32 109.695 179.688 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . 0.403 HD12 HG22 ' A' ' 93' ' ' THR . 12.2 tp -123.21 147.61 46.7 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 120.891 0.377 . . . . 73.22 110.801 -178.111 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . 0.511 ' HA3' ' N ' ' A' ' 117' ' ' ALA . . . -144.48 132.93 5.0 Favored Glycine 0 N--CA 1.445 -0.702 0 C-N-CA 121.087 -0.577 . . . . 64.43 111.748 176.212 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . 0.567 ' HA ' ' O ' ' A' ' 92' ' ' PHE . 29.9 mt-30 -123.01 118.05 26.88 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.004 0.43 . . . . 73.23 110.955 -176.408 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -132.81 -174.99 13.78 Favored Glycine 0 C--O 1.223 -0.57 0 N-CA-C 111.674 -0.57 . . . . 63.15 111.674 -178.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 23.9 mmt180 -89.33 6.07 42.17 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 117.206 0.503 . . . . 75.44 111.333 -176.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 74.0 m -164.76 169.3 16.93 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 108.762 -0.829 . . . . 73.3 108.762 179.482 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 93.8 mttt -60.08 -38.54 83.19 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 121.38 0.61 . . . . 73.53 109.804 178.899 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 33.7 tttp -59.63 -54.44 46.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.024 -0.989 . . . . 72.34 111.17 177.688 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 39.5 t -65.69 -42.92 93.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 115.809 -0.632 . . . . 75.34 110.875 -176.225 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -62.31 -39.38 92.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.243 -0.435 . . . . 74.41 111.065 -179.008 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 44.2 ttt180 -61.49 -41.34 97.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.772 -0.649 . . . . 62.42 110.063 178.202 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 115' ' ' ILE . . . . . 0.424 HG12 ' HB2' ' A' ' 64' ' ' ASN . 87.1 mt -67.02 -49.41 73.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 115.694 -0.684 . . . . 72.21 111.133 177.215 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -57.36 -35.12 69.54 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.767 0.318 . . . . 72.13 111.207 178.575 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . 0.511 ' N ' ' HA3' ' A' ' 105' ' ' GLY . . . -65.17 -46.37 81.1 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.126 0.489 . . . . 73.45 110.775 177.788 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . 0.52 ' O ' ' HG ' ' A' ' 122' ' ' LEU . . . -67.98 -29.79 68.9 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.783 -0.644 . . . . 55.52 111.287 -179.604 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -60.82 -42.19 97.2 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.111 0.481 . . . . 73.42 110.38 178.124 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 120' ' ' THR . . . . . 0.413 ' O ' ' HG2' ' A' ' 123' ' ' ARG . 18.7 m -63.63 -42.52 98.16 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.585 -0.734 . . . . 74.54 110.248 177.479 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -61.72 -48.92 78.58 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.731 -0.668 . . . . 55.22 111.058 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . 0.52 ' HG ' ' O ' ' A' ' 118' ' ' ALA . 55.9 mt -54.58 -48.81 71.65 Favored 'General case' 0 N--CA 1.462 0.142 0 CA-C-N 116.42 -0.355 . . . . 71.0 111.35 -177.829 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 123' ' ' ARG . . . . . 0.413 ' HG2' ' O ' ' A' ' 120' ' ' THR . 37.0 ptt180 -70.66 -14.48 62.48 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.241 -0.436 . . . . 71.45 111.118 -175.746 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 29.9 t -81.31 -26.41 35.69 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.282 -0.417 . . . . 73.41 110.299 175.868 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 78.6 m-85 -87.38 -55.41 3.81 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.742 0.305 . . . . 74.22 110.342 177.836 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 126' ' ' ILE . . . . . 0.404 ' H ' HD12 ' A' ' 126' ' ' ILE . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.326 0 CA-C-N 116.16 -0.473 . . . . 74.32 110.148 -179.518 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . 0.532 ' ND2' ' HB ' ' A' ' 66' ' ' VAL . 27.2 p-10 . . . . . 0 CA--C 1.518 -0.265 0 CA-C-O 121.825 0.821 . . . . 62.13 111.307 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 39.2 p -69.23 -21.15 63.95 Favored 'General case' 0 C--N 1.315 -0.929 0 CA-C-N 114.527 -1.215 . . . . 74.33 110.811 -178.861 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.532 ' HB ' ' ND2' ' A' ' 64' ' ' ASN . 50.0 t -59.85 -44.05 93.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 115.296 -0.865 . . . . 73.03 110.283 177.305 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . 0.559 ' O ' ' HG2' ' A' ' 71' ' ' GLU . . . -65.99 -40.47 91.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.044 -0.525 . . . . 63.1 110.149 176.174 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 80.0 mmm -57.9 -42.17 84.14 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.666 -0.697 . . . . 71.32 111.382 178.622 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.825 ' HB3' HD13 ' A' ' 76' ' ' LEU . 1.2 mt -62.17 -35.92 80.29 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.279 -0.419 . . . . 73.13 110.993 -179.78 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 25.3 m-80 -67.39 -24.27 65.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.127 0.489 . . . . 72.43 110.466 178.838 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . 0.559 ' HG2' ' O ' ' A' ' 67' ' ' ALA . 4.2 mm-40 -80.18 -22.71 41.63 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.686 -0.688 . . . . 44.31 110.504 178.806 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 72.6 mt -99.38 -67.14 0.86 Allowed 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.939 -0.573 . . . . 70.03 112.075 -176.294 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 1.1 tpp180 -132.46 125.44 30.71 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.583 -0.281 . . . . 75.23 110.994 -170.172 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 20.0 p-80 -77.99 167.36 21.6 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.309 -0.405 . . . . 72.32 110.16 174.817 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 82.88 36.03 16.95 Favored Glycine 0 N--CA 1.445 -0.739 0 C-N-CA 120.238 -0.982 . . . . 70.45 110.99 -178.08 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . 0.825 HD13 ' HB3' ' A' ' 69' ' ' LEU . 1.2 pt? -100.76 100.82 11.55 Favored 'General case' 0 N--CA 1.45 -0.432 0 CA-C-O 121.323 0.582 . . . . 74.1 110.072 179.023 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . 0.514 ' O ' ' HA ' ' A' ' 96' ' ' VAL . 4.8 mp -102.96 115.35 44.77 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 CA-C-N 115.879 -0.601 . . . . 75.13 110.552 -178.797 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . 0.596 ' HH ' HD11 ' A' ' 69' ' ' LEU . 86.9 m-85 -94.65 124.43 38.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.283 -0.417 . . . . 75.41 110.101 177.421 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 17.7 ptpt -135.72 143.29 45.28 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 116.293 -0.412 . . . . 75.2 110.611 179.015 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 49.3 tp -84.26 106.0 15.54 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 109.229 -0.656 . . . . 74.12 109.229 177.673 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -89.14 -29.7 19.15 Favored 'General case' 0 C--N 1.325 -0.494 0 C-N-CA 120.294 -0.562 . . . . 75.31 111.666 -175.865 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 57.7 m -153.5 146.66 24.66 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.89 0.376 . . . . 54.51 110.981 178.739 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 22.1 tm0? -143.57 116.62 8.89 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 109.279 -0.637 . . . . 72.33 109.279 176.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 23.3 p -142.37 144.7 33.27 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.4 -0.364 . . . . 64.31 110.852 -177.301 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 135.58 179.96 17.13 Favored Glycine 0 N--CA 1.448 -0.51 0 C-N-CA 120.043 -1.075 . . . . 61.54 113.389 173.361 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 58.7 Cg_endo -71.58 -176.95 2.2 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 123.565 2.843 . . . . 65.51 112.466 -179.455 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 33.8 m -93.66 -20.81 6.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-O 120.76 0.314 . . . . 74.22 111.005 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 35.2 p-80 -81.74 -23.01 36.95 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.354 -0.384 . . . . 55.44 110.25 178.812 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -158.89 76.35 3.29 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-N 116.156 -0.475 . . . . 74.44 110.769 178.767 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' PRO . . . . . 0.624 ' O ' ' HA ' ' A' ' 108' ' ' ARG . 5.8 Cg_exo -75.67 155.03 39.8 Favored 'Trans proline' 0 N--CA 1.458 -0.587 0 C-N-CA 122.482 2.121 . . . . 61.42 111.595 179.884 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.492 HD11 ' NE2' ' A' ' 106' ' ' GLN . 3.2 tm? -109.63 116.43 31.72 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-O 121.456 0.646 . . . . 73.12 109.723 176.226 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . 0.415 ' O ' ' HA ' ' A' ' 106' ' ' GLN . 48.2 m-85 -103.04 134.5 46.38 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 115.065 -0.97 . . . . 74.5 109.317 177.631 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 18.6 m -118.19 101.63 8.37 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-O 121.023 0.439 . . . . 74.23 110.032 -179.263 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . 0.482 HG22 ' HA ' ' A' ' 114' ' ' ARG . 7.4 mm -99.29 129.2 50.12 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.755 0 CA-C-N 115.685 -0.689 . . . . 74.14 109.788 -179.52 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' SER . . . . . 0.514 ' HB2' ' HD3' ' A' ' 102' ' ' LYS . 1.7 p -108.07 131.55 54.48 Favored 'General case' 0 C--N 1.312 -1.046 0 CA-C-N 116.126 -0.488 . . . . 74.44 110.143 175.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . 0.514 ' HA ' ' O ' ' A' ' 77' ' ' ILE . 7.9 p -123.68 124.12 68.68 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.897 0 CA-C-O 121.273 0.559 . . . . 75.34 109.73 176.202 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 14.0 tt0 -97.98 108.22 20.87 Favored 'General case' 0 N--CA 1.437 -1.088 0 N-CA-C 109.311 -0.625 . . . . 72.1 109.311 179.228 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . 0.577 ' C ' ' H ' ' A' ' 100' ' ' GLY . 21.3 t -112.42 125.01 69.65 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.001 0 CA-C-N 115.538 -0.755 . . . . 72.12 109.78 -175.596 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 14.0 t70 69.49 -31.19 0.2 Allowed 'General case' 0 N--CA 1.472 0.657 0 O-C-N 123.992 0.807 . . . . 72.55 111.567 -174.805 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 100' ' ' GLY . . . . . 0.577 ' H ' ' C ' ' A' ' 98' ' ' VAL . . . 146.68 -12.13 1.51 Allowed Glycine 0 C--N 1.304 -1.201 0 N-CA-C 110.871 -0.892 . . . . 73.42 110.871 -175.275 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 101' ' ' GLN . . . . . 0.506 ' HB3' ' CE1' ' A' ' 103' ' ' TYR . 13.5 tp60 -87.89 133.45 33.91 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 109.005 -0.739 . . . . 73.04 109.005 176.566 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . 0.514 ' HD3' ' HB2' ' A' ' 95' ' ' SER . 0.5 OUTLIER -96.5 109.65 22.18 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 121.101 0.477 . . . . 71.35 110.241 -178.179 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 103' ' ' TYR . . . . . 0.506 ' CE1' ' HB3' ' A' ' 101' ' ' GLN . 76.2 m-85 -97.11 156.65 16.29 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.647 -0.706 . . . . 74.01 109.564 -179.629 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 12.0 tp -124.81 141.93 51.78 Favored 'General case' 0 C--N 1.321 -0.632 0 C-N-CA 120.847 -0.341 . . . . 74.22 111.003 -176.294 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . 0.426 ' HA3' ' N ' ' A' ' 117' ' ' ALA . . . -135.43 130.49 5.42 Favored Glycine 0 N--CA 1.444 -0.803 0 N-CA-C 111.279 -0.729 . . . . 54.33 111.279 175.881 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . 0.492 ' NE2' HD11 ' A' ' 91' ' ' LEU . 29.0 mt-30 -121.77 123.85 42.8 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-O 120.811 0.339 . . . . 74.0 110.423 -176.858 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -145.86 -179.5 22.13 Favored Glycine 0 N--CA 1.448 -0.564 0 C-N-CA 120.956 -0.64 . . . . 65.22 112.062 -177.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . 0.624 ' HA ' ' O ' ' A' ' 90' ' ' PRO . 25.2 mmt180 -83.91 -3.38 57.89 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.748 0.309 . . . . 73.2 111.709 -177.848 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 109' ' ' SER . . . . . 0.457 ' HB2' HG22 ' A' ' 112' ' ' VAL . 16.0 m -151.32 164.21 37.17 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 109.029 -0.73 . . . . 61.32 109.029 -178.244 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -59.66 -37.34 78.45 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.845 0.355 . . . . 74.23 110.334 179.203 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 79.7 tttt -66.75 -51.47 55.52 Favored 'General case' 0 N--CA 1.452 -0.335 0 CA-C-N 115.935 -0.575 . . . . 74.53 110.684 179.872 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . 0.457 HG22 ' HB2' ' A' ' 109' ' ' SER . 21.8 t -55.64 -51.26 60.5 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 CA-C-N 116.131 -0.486 . . . . 73.12 110.321 179.599 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -60.35 -38.73 84.75 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.779 -0.646 . . . . 73.12 111.235 -178.718 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 114' ' ' ARG . . . . . 0.482 ' HA ' HG22 ' A' ' 94' ' ' ILE . 17.7 ttm180 -63.43 -45.81 89.21 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.014 -0.539 . . . . 72.42 110.443 178.845 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 71.7 mt -62.76 -46.54 96.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-N 115.742 -0.663 . . . . 75.32 111.402 176.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -59.58 -37.93 79.82 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.824 0.345 . . . . 54.42 111.429 178.684 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . 0.504 ' HB2' HG11 ' A' ' 96' ' ' VAL . . . -62.62 -47.16 84.97 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.044 0.449 . . . . 72.2 110.733 176.858 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . 0.485 ' O ' ' HG ' ' A' ' 122' ' ' LEU . . . -66.45 -33.52 75.88 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.587 -0.733 . . . . 60.44 111.098 179.65 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -61.68 -42.11 98.48 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.296 -0.411 . . . . 73.51 110.882 179.386 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 120' ' ' THR . . . . . 0.898 ' HA ' ' HE ' ' A' ' 123' ' ' ARG . 62.7 m -66.94 -35.3 79.67 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.106 -0.497 . . . . 73.12 110.6 178.111 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -63.9 -45.83 87.55 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.149 -0.478 . . . . 74.34 110.467 176.48 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . 0.489 ' O ' HD13 ' A' ' 126' ' ' ILE . 62.4 mt -58.23 -51.72 68.56 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-N 116.33 -0.395 . . . . 73.55 111.253 -179.902 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 123' ' ' ARG . . . . . 0.898 ' HE ' ' HA ' ' A' ' 120' ' ' THR . 20.0 ptt180 -70.26 -9.43 55.9 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.207 -0.451 . . . . 73.1 111.595 -176.568 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 13.2 t -82.15 -28.82 31.94 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 109.252 -0.648 . . . . 74.43 109.252 174.255 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 29.6 m-85 -84.44 -55.17 4.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.722 -0.672 . . . . 74.31 110.073 179.731 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 126' ' ' ILE . . . . . 0.489 HD13 ' O ' ' A' ' 122' ' ' LEU . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.468 0 CA-C-O 121.258 0.551 . . . . 74.21 110.653 -179.862 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . 0.508 ' ND2' ' HB ' ' A' ' 66' ' ' VAL . 21.0 p-10 . . . . . 0 N--CA 1.452 -0.375 0 CA-C-O 121.793 0.806 . . . . 72.12 110.672 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' THR . . . . . 0.445 ' OG1' ' HB3' ' A' ' 118' ' ' ALA . 36.0 p -63.07 -21.81 66.42 Favored 'General case' 0 C--N 1.316 -0.855 0 CA-C-N 114.522 -1.217 . . . . 61.32 111.1 -179.125 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.508 ' HB ' ' ND2' ' A' ' 64' ' ' ASN . 48.3 t -61.86 -44.03 98.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 115.33 -0.85 . . . . 63.11 110.888 178.644 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -66.55 -38.99 88.32 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.203 0.525 . . . . 53.13 109.961 177.582 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 78.4 mmm -59.19 -42.46 90.92 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.336 -0.847 . . . . 73.41 110.662 178.35 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.714 ' HB3' HD12 ' A' ' 76' ' ' LEU . 3.2 mt -62.39 -36.95 83.91 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.768 -0.651 . . . . 74.13 111.384 179.179 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 25.5 m-80 -67.31 -21.63 65.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.33 -0.395 . . . . 73.15 110.999 -179.619 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 27.4 mt-10 -81.93 -27.09 33.52 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.867 0.365 . . . . 62.33 110.607 176.835 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 98.3 mt -87.01 -55.89 3.62 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.195 -0.457 . . . . 73.23 111.433 -176.734 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 30.7 mmt180 -137.39 177.38 7.91 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.96 0.41 . . . . 74.4 111.032 -175.579 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 29.0 p-80 -126.8 169.95 12.69 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.78 -0.645 . . . . 73.1 109.492 175.713 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 79.9 20.43 68.0 Favored Glycine 0 N--CA 1.449 -0.483 0 C-N-CA 120.791 -0.719 . . . . 75.23 111.902 -179.855 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . 0.828 HD21 ' H ' ' A' ' 76' ' ' LEU . 0.9 OUTLIER -78.92 95.42 5.44 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.353 0.597 . . . . 71.3 110.596 -179.216 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . 0.583 ' O ' ' HA ' ' A' ' 96' ' ' VAL . 4.7 mt -88.14 111.83 22.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 115.702 -0.681 . . . . 75.35 111.138 -178.261 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . 0.673 ' HH ' HD11 ' A' ' 69' ' ' LEU . 97.1 m-85 -91.96 116.0 28.55 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 109.842 -0.429 . . . . 74.33 109.842 173.527 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 27.2 pttt -132.79 142.49 49.02 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 115.974 -0.557 . . . . 70.31 110.291 -179.066 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.512 HD22 ' HE2' ' A' ' 110' ' ' LYS . 36.9 tp -83.52 104.63 13.81 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 109.419 -0.586 . . . . 65.35 109.419 177.787 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -88.21 -36.78 16.59 Favored 'General case' 0 C--N 1.321 -0.643 0 C-N-CA 120.414 -0.514 . . . . 62.41 111.163 -176.762 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' SER . . . . . 0.527 ' HB2' ' HB ' ' A' ' 93' ' ' THR . 19.4 m -139.26 152.09 47.01 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.394 -0.366 . . . . 74.43 110.865 -175.568 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 19.1 tm0? -157.06 125.75 5.77 Favored 'General case' 0 C--O 1.235 0.295 0 N-CA-C 110.072 -0.344 . . . . 71.33 110.072 179.162 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 3.3 p -150.03 -163.93 1.9 Allowed 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.905 -0.589 . . . . 74.21 109.903 178.896 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 105.45 174.67 24.11 Favored Glycine 0 N--CA 1.453 -0.197 0 C-N-CA 120.653 -0.784 . . . . 60.25 113.385 170.422 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo -70.98 173.64 11.76 Favored 'Trans proline' 0 C--N 1.345 0.358 0 C-N-CA 123.318 2.679 . . . . 75.4 112.024 178.182 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 33.8 m -85.48 -19.78 8.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 C-N-CA 120.878 -0.329 . . . . 63.44 111.558 -178.824 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 39.5 p-80 -80.88 -29.26 35.72 Favored 'General case' 0 C--N 1.331 -0.234 0 C-N-CA 120.884 -0.327 . . . . 62.32 110.257 178.014 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . 0.479 ' HB2' ' HD2' ' A' ' 108' ' ' ARG . . . -156.61 77.82 4.13 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 116.441 -0.345 . . . . 72.52 110.634 -179.151 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' PRO . . . . . 0.593 ' O ' ' HA ' ' A' ' 108' ' ' ARG . 3.3 Cg_exo -70.49 160.28 50.04 Favored 'Trans proline' 0 N--CA 1.455 -0.778 0 C-N-CA 121.866 1.71 . . . . 71.31 111.938 -178.271 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.445 HD22 ' HB3' ' A' ' 106' ' ' GLN . 3.2 tm? -106.01 118.28 36.2 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-N 115.891 -0.595 . . . . 73.22 109.628 -179.631 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 52.7 m-85 -105.67 137.11 44.07 Favored 'General case' 0 C--N 1.315 -0.893 0 CA-C-N 115.417 -0.81 . . . . 72.33 109.454 179.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' THR . . . . . 0.527 ' HB ' ' HB2' ' A' ' 82' ' ' SER . 18.5 m -119.81 99.89 6.91 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 121.189 0.518 . . . . 74.11 110.164 -177.653 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . 0.528 HG23 ' HA ' ' A' ' 114' ' ' ARG . 5.3 mm -96.23 130.42 44.93 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.739 0 CA-C-N 115.413 -0.812 . . . . 73.55 109.816 179.609 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' SER . . . . . 0.578 ' HB2' ' HD3' ' A' ' 102' ' ' LYS . 2.6 p -107.28 133.69 51.46 Favored 'General case' 0 C--N 1.312 -1.044 0 CA-C-N 115.908 -0.587 . . . . 52.1 109.531 175.646 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . 0.583 ' HA ' ' O ' ' A' ' 77' ' ' ILE . 7.2 p -120.48 125.16 73.83 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.816 0 CA-C-O 121.368 0.604 . . . . 74.11 109.794 178.217 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 21.4 tt0 -99.8 115.57 29.86 Favored 'General case' 0 C--N 1.311 -1.077 0 CA-C-N 115.541 -0.754 . . . . 73.24 109.585 -178.84 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 21.9 t -132.59 121.48 45.22 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.841 0 CA-C-N 116.039 -0.528 . . . . 72.21 110.342 -175.854 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 34.1 t70 61.69 14.44 6.1 Favored 'General case' 0 N--CA 1.469 0.514 0 CA-C-O 121.524 0.678 . . . . 72.11 111.031 179.311 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 103.7 -12.65 53.7 Favored Glycine 0 N--CA 1.449 -0.496 0 C-N-CA 120.735 -0.745 . . . . 62.32 112.144 -178.545 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 17.4 mm-40 -90.79 131.23 36.57 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.914 0.387 . . . . 74.21 110.554 178.838 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . 0.578 ' HD3' ' HB2' ' A' ' 95' ' ' SER . 0.7 OUTLIER -101.41 105.04 16.02 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-N 115.868 -0.606 . . . . 74.1 110.135 -178.108 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 72.3 m-85 -95.42 156.89 16.13 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.559 -0.746 . . . . 74.13 110.006 -178.544 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 11.4 tp -124.51 142.67 51.16 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.039 0.447 . . . . 73.44 111.44 -175.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . 0.487 ' HA3' ' N ' ' A' ' 117' ' ' ALA . . . -138.21 130.88 5.17 Favored Glycine 0 N--CA 1.447 -0.615 0 CA-C-N 115.835 -0.62 . . . . 63.45 111.648 175.825 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . 0.445 ' HB3' HD22 ' A' ' 91' ' ' LEU . 30.3 mt-30 -115.64 130.78 56.99 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 120.812 0.339 . . . . 74.22 110.927 -178.374 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -150.63 177.03 28.94 Favored Glycine 0 N--CA 1.449 -0.469 0 C-N-CA 121.02 -0.61 . . . . 72.41 111.985 -178.199 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . 0.593 ' HA ' ' O ' ' A' ' 90' ' ' PRO . 31.6 mmt180 -88.48 6.44 37.71 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.954 0.407 . . . . 64.44 111.494 -177.492 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 50.9 m -160.21 164.56 32.7 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 108.707 -0.849 . . . . 74.1 108.707 177.821 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . 0.512 ' HE2' HD22 ' A' ' 80' ' ' LEU . 94.8 mttt -62.08 -30.97 71.37 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 121.284 0.564 . . . . 72.2 109.826 178.18 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 69.3 tttt -60.89 -55.8 28.74 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.2 -0.909 . . . . 71.24 110.881 176.796 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . 0.476 ' O ' ' HG2' ' A' ' 116' ' ' GLU . 21.4 t -61.6 -49.21 85.3 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 115.903 -0.589 . . . . 75.11 110.476 -177.651 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -58.95 -36.63 75.12 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.696 -0.684 . . . . 65.11 111.836 -175.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 114' ' ' ARG . . . . . 0.528 ' HA ' HG23 ' A' ' 94' ' ' ILE . 18.0 ttm180 -63.42 -45.3 91.6 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 121.047 0.451 . . . . 72.32 110.389 178.488 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 61.6 mt -65.94 -45.71 90.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.032 -0.531 . . . . 74.35 110.98 178.205 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . 0.476 ' HG2' ' O ' ' A' ' 112' ' ' VAL . 39.0 mm-40 -58.88 -36.87 75.36 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.493 -0.321 . . . . 75.32 111.597 178.366 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . 0.487 ' N ' ' HA3' ' A' ' 105' ' ' GLY . . . -63.81 -46.72 83.84 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.01 0.433 . . . . 74.44 110.75 177.928 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . 0.478 ' O ' ' HG ' ' A' ' 122' ' ' LEU . . . -66.4 -30.17 70.48 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.765 -0.652 . . . . 74.3 111.103 -179.837 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -59.76 -46.34 89.47 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.289 -0.414 . . . . 73.32 110.79 176.653 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 120' ' ' THR . . . . . 0.449 ' O ' ' HG2' ' A' ' 123' ' ' ARG . 37.2 m -61.35 -38.83 88.35 Favored 'General case' 0 C--O 1.234 0.237 0 CA-C-O 121.296 0.57 . . . . 74.21 110.548 176.876 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -62.39 -51.39 67.78 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.793 -0.639 . . . . 74.04 110.915 179.179 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . 0.478 ' HG ' ' O ' ' A' ' 118' ' ' ALA . 58.7 mt -53.73 -47.65 70.39 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.299 -0.41 . . . . 74.33 111.618 -177.526 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 123' ' ' ARG . . . . . 0.449 ' HG2' ' O ' ' A' ' 120' ' ' THR . 4.9 ptp180 -68.41 -19.87 64.63 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.759 0.314 . . . . 73.25 111.401 -175.946 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 26.2 t -78.68 -24.31 45.14 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.652 0.263 . . . . 71.52 110.375 176.465 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 82.3 m-85 -85.96 -55.87 3.74 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 109.828 -0.434 . . . . 60.12 109.828 176.085 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 126' ' ' ILE . . . . . 0.413 ' O ' ' HA ' ' A' ' 123' ' ' ARG . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.464 0 CA-C-O 121.175 0.512 . . . . 64.2 110.629 178.532 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 6.8 m . . . . . 0 N--CA 1.476 0.872 0 N-CA-C 110.236 -0.283 . . . . 72.43 110.236 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . 0.617 ' HB3' ' HE2' ' A' ' 51' ' ' LYS . 62.3 m-20 65.67 90.55 0.09 OUTLIER Pre-proline 0 C--O 1.235 0.302 0 CA-C-N 116.019 -0.537 . . . . 65.45 110.957 179.851 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 57.6 Cg_endo -76.63 94.73 1.04 Allowed 'Trans proline' 0 N--CA 1.459 -0.531 0 C-N-CA 122.344 2.03 . . . . 65.42 111.248 175.293 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.617 ' HE2' ' HB3' ' A' ' 49' ' ' ASP . 73.1 mmtt -82.37 99.39 9.36 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.265 0.555 . . . . 74.1 111.449 -176.004 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 60.0 tttp -66.71 103.27 1.06 Allowed 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.012 -0.994 . . . . 74.41 109.679 174.889 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 31.9 mtmm -93.41 -23.58 18.36 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 116.07 -0.514 . . . . 72.51 110.82 -175.848 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' MET . . . . . 0.695 ' HG3' ' HG2' ' A' ' 57' ' ' GLU . 39.9 tpp -78.75 115.43 18.44 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.876 -0.602 . . . . 54.11 110.813 -179.607 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 8.0 p -121.24 10.06 10.55 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.932 -0.576 . . . . 70.02 110.787 178.902 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.489 ' HB2' ' SD ' ' A' ' 54' ' ' MET . 13.9 mptt -89.79 -10.98 43.5 Favored 'General case' 0 N--CA 1.462 0.149 0 CA-C-N 116.215 -0.448 . . . . 74.45 110.451 179.358 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.695 ' HG2' ' HG3' ' A' ' 54' ' ' MET . 7.0 pt-20 -82.98 129.6 35.05 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 109.391 -0.596 . . . . 73.32 109.391 175.166 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 12.7 mmt180 -87.97 -44.41 11.03 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 116.003 -0.544 . . . . 73.04 111.386 -170.487 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 40.1 mm 53.95 73.77 0.86 Allowed Pre-proline 0 C--O 1.235 0.335 0 N-CA-C 108.231 -1.025 . . . . 71.5 108.231 -168.627 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 38.6 Cg_exo -60.92 99.91 0.16 Allowed 'Trans proline' 0 C--N 1.344 0.319 0 C-N-CA 123.256 2.637 . . . . 73.02 113.303 -170.219 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 49.1 mt-30 -142.28 86.13 10.27 Favored Pre-proline 0 C--N 1.324 -0.519 0 CA-C-N 115.297 -0.865 . . . . 70.31 109.72 176.852 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 11.5 Cg_exo -72.36 -170.89 0.63 Allowed 'Trans proline' 0 N--CA 1.463 -0.28 0 C-N-CA 122.968 2.446 . . . . 72.34 111.329 174.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 61.0 mttm 67.54 22.63 9.16 Favored 'General case' 0 N--CA 1.467 0.42 0 CA-C-O 121.785 0.803 . . . . 72.02 109.721 -177.741 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . 0.535 ' ND2' HG23 ' A' ' 66' ' ' VAL . 9.2 p-10 -87.33 145.99 26.11 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 114.608 -1.178 . . . . 64.21 110.913 -178.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 24.1 p -61.16 -28.32 69.04 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 114.856 -1.066 . . . . 75.31 112.468 -175.049 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.535 HG23 ' ND2' ' A' ' 64' ' ' ASN . 1.9 m -65.39 -29.95 48.74 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.148 0 CA-C-O 121.032 0.444 . . . . 75.42 110.283 -177.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . 0.411 ' O ' ' HG2' ' A' ' 71' ' ' GLU . . . -73.26 -39.44 65.42 Favored 'General case' 0 N--CA 1.451 -0.412 0 N-CA-C 109.417 -0.586 . . . . 61.34 109.417 176.851 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 69.0 mmm -57.46 -46.52 83.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.116 -0.947 . . . . 72.22 110.651 176.562 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -59.18 -36.75 75.88 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.925 -0.579 . . . . 63.23 111.436 179.684 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 23.4 m-80 -70.56 -19.99 62.83 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.021 0.438 . . . . 72.25 110.711 -178.347 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.411 ' HG2' ' O ' ' A' ' 67' ' ' ALA . 5.7 mm-40 -84.52 -20.96 30.76 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.899 -0.591 . . . . 74.2 110.412 176.921 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 85.1 mt -90.88 -71.79 0.61 Allowed 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.816 -0.629 . . . . 74.32 111.377 -178.491 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 28.8 mmm180 -128.9 139.35 52.17 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.266 -0.424 . . . . 74.11 110.837 -172.529 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 5.0 p-80 -93.38 172.3 8.37 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 109.407 -0.59 . . . . 71.34 109.407 173.28 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 89.55 10.88 64.88 Favored Glycine 0 N--CA 1.447 -0.631 0 C-N-CA 120.506 -0.854 . . . . 72.31 111.058 -176.868 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.74 ' H ' HD23 ' A' ' 76' ' ' LEU . 2.0 pt? -84.99 117.45 23.98 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.219 0.533 . . . . 74.13 110.356 -178.931 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . 0.573 ' O ' ' HA ' ' A' ' 96' ' ' VAL . 3.8 mp -109.21 110.95 34.0 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 CA-C-N 116.105 -0.498 . . . . 73.15 110.573 179.69 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . 0.425 ' CD1' ' HG3' ' A' ' 114' ' ' ARG . 98.8 m-85 -88.46 108.96 19.65 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 109.862 -0.421 . . . . 74.15 109.862 174.132 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 30.8 pttt -127.56 134.9 49.71 Favored 'General case' 0 C--N 1.316 -0.878 0 CA-C-N 116.028 -0.533 . . . . 75.25 110.571 -176.119 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 45.1 tp -78.92 97.48 6.03 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 109.318 -0.623 . . . . 74.21 109.318 178.093 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . 0.511 ' HB3' ' HG ' ' A' ' 95' ' ' SER . 7.2 pt-20 -78.41 -28.73 46.89 Favored 'General case' 0 C--N 1.325 -0.476 0 C-N-CA 120.606 -0.437 . . . . 72.24 111.328 -174.446 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 49.1 m -152.46 142.82 22.55 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 120.679 0.276 . . . . 70.21 110.342 178.784 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 22.7 tm0? -131.67 124.05 29.05 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 109.445 -0.576 . . . . 73.51 109.445 176.782 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 9.5 p -146.83 -163.51 1.77 Allowed 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.918 -0.583 . . . . 64.1 110.176 -176.718 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 102.3 176.63 27.57 Favored Glycine 0 N--CA 1.449 -0.489 0 C-N-CA 121.078 -0.582 . . . . 54.1 113.086 170.753 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 62.9 Cg_endo -72.4 -173.6 1.18 Allowed 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 123.124 2.549 . . . . 74.02 112.091 175.367 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 14.1 p -95.92 -26.72 4.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-O 121.089 0.471 . . . . 71.12 110.252 178.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 43.7 p-80 -76.38 -23.16 54.08 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.02 -0.536 . . . . 71.44 110.352 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -165.62 75.91 1.3 Allowed Pre-proline 0 C--N 1.331 -0.211 0 CA-C-N 116.189 -0.459 . . . . 64.34 110.458 179.627 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . 0.654 ' O ' ' HA ' ' A' ' 108' ' ' ARG . 7.1 Cg_exo -65.39 164.62 25.21 Favored 'Trans proline' 0 N--CA 1.46 -0.496 0 C-N-CA 122.132 1.888 . . . . 62.33 112.168 -176.649 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.42 HD21 ' HA ' ' A' ' 91' ' ' LEU . 2.7 tm? -111.81 114.05 26.78 Favored 'General case' 0 C--N 1.317 -0.806 0 N-CA-C 109.309 -0.626 . . . . 72.34 109.309 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . 0.431 ' O ' ' HA ' ' A' ' 106' ' ' GLN . 25.4 m-85 -103.76 133.22 49.11 Favored 'General case' 0 C--N 1.315 -0.928 0 CA-C-N 115.101 -0.954 . . . . 74.42 109.198 179.327 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 37.8 m -115.45 101.07 8.56 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-O 121.214 0.531 . . . . 72.33 110.291 -177.471 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . 0.503 HG22 ' HA ' ' A' ' 114' ' ' ARG . 6.5 mm -97.35 128.74 48.34 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.717 0 CA-C-N 115.409 -0.814 . . . . 72.24 110.1 -179.726 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' SER . . . . . 0.571 ' CB ' ' HD3' ' A' ' 102' ' ' LYS . 2.3 p -109.79 122.7 48.1 Favored 'General case' 0 C--N 1.311 -1.095 0 CA-C-N 115.717 -0.674 . . . . 60.35 110.034 177.081 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . 0.573 ' HA ' ' O ' ' A' ' 77' ' ' ILE . 11.8 p -110.73 124.17 67.28 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.846 0 CA-C-O 121.368 0.604 . . . . 71.23 109.71 174.263 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 22.2 tt0 -100.57 116.69 33.08 Favored 'General case' 0 C--N 1.314 -0.969 0 CA-C-N 115.799 -0.637 . . . . 74.02 109.47 179.743 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 17.9 t -130.87 122.5 52.29 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.7 0 CA-C-N 116.027 -0.533 . . . . 72.31 110.301 -177.163 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 55.43 25.3 7.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.233 -0.894 . . . . 72.42 112.309 178.538 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 96.31 -4.98 65.03 Favored Glycine 0 N--CA 1.449 -0.465 0 C-N-CA 120.803 -0.713 . . . . 38.56 112.925 177.83 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' GLN . . . . . 0.463 ' HA ' ' NE2' ' A' ' 101' ' ' GLN . 10.3 mm-40 -106.27 124.95 50.38 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-O 121.075 0.464 . . . . 63.22 110.641 177.438 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . 0.571 ' HD3' ' CB ' ' A' ' 95' ' ' SER . 3.2 tmmm? -92.58 114.03 26.46 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 115.58 -0.736 . . . . 70.24 109.618 -179.606 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 59.6 m-85 -100.3 134.38 43.31 Favored 'General case' 0 C--N 1.316 -0.886 0 CA-C-N 115.655 -0.702 . . . . 74.34 109.16 177.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 13.2 tp -109.01 140.34 42.66 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 120.803 0.335 . . . . 73.42 111.005 -173.362 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -135.38 130.24 5.34 Favored Glycine 0 N--CA 1.445 -0.748 0 N-CA-C 111.281 -0.728 . . . . 71.05 111.281 177.091 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . 0.431 ' HA ' ' O ' ' A' ' 92' ' ' PHE . 32.1 mt-30 -122.23 112.43 18.16 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 121.167 0.508 . . . . 75.22 110.932 -176.328 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -132.71 -176.48 14.43 Favored Glycine 0 N--CA 1.447 -0.592 0 C-N-CA 120.879 -0.677 . . . . 74.21 111.657 -176.827 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . 0.654 ' HA ' ' O ' ' A' ' 90' ' ' PRO . 11.1 mmt180 -90.11 6.75 41.16 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.166 0.508 . . . . 75.01 111.186 -176.31 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 61.4 m -161.85 161.55 29.01 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 108.788 -0.819 . . . . 72.32 108.788 178.228 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 94.5 mttt -52.59 -42.98 65.02 Favored 'General case' 0 N--CA 1.467 0.419 0 CA-C-O 121.194 0.521 . . . . 71.42 110.613 177.529 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 42.1 tttp -61.59 -53.22 59.17 Favored 'General case' 0 N--CA 1.452 -0.333 0 CA-C-N 115.254 -0.885 . . . . 64.45 110.881 -177.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 22.0 t -57.83 -49.68 80.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 115.819 -0.628 . . . . 72.44 110.954 178.714 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -60.49 -38.08 83.15 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.067 -0.515 . . . . 75.01 111.279 -178.015 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' ARG . . . . . 0.503 ' HA ' HG22 ' A' ' 94' ' ' ILE . 40.0 ttm180 -62.94 -46.81 86.02 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.938 -0.574 . . . . 74.4 110.135 178.786 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 79.6 mt -56.09 -50.04 72.39 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.484 0 CA-C-N 115.623 -0.717 . . . . 73.52 111.172 174.281 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -56.78 -41.58 77.92 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.943 0.402 . . . . 51.15 111.416 -179.238 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . 0.498 ' HB1' HG12 ' A' ' 96' ' ' VAL . . . -62.14 -45.83 91.71 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.168 0.508 . . . . 71.21 111.046 179.61 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . 0.543 ' O ' ' HG ' ' A' ' 122' ' ' LEU . . . -69.14 -30.43 68.67 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.685 -0.689 . . . . 62.12 111.625 -176.771 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -59.78 -47.76 84.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.041 0.448 . . . . 74.55 110.605 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 25.8 m -58.84 -40.77 85.2 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.809 -0.632 . . . . 72.03 110.598 177.484 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -63.27 -42.15 99.1 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.832 -0.622 . . . . 51.54 111.226 -179.257 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . 0.543 ' HG ' ' O ' ' A' ' 118' ' ' ALA . 65.7 mt -57.77 -51.63 68.78 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.296 -0.411 . . . . 64.32 111.329 -177.085 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 2.5 ptm180 -68.31 -17.73 64.34 Favored 'General case' 0 CA--C 1.533 0.293 0 CA-C-O 121.125 0.488 . . . . 74.13 110.556 -176.707 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 22.8 t -72.86 -30.09 63.71 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.172 -0.467 . . . . 60.32 110.505 176.615 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 62.9 m-85 -89.28 -64.05 1.2 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.047 0.451 . . . . 74.01 110.332 179.511 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 126' ' ' ILE . . . . . 0.418 ' H ' HD12 ' A' ' 126' ' ' ILE . 0.2 OUTLIER -111.89 138.32 41.13 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-O 121.325 0.583 . . . . 73.33 109.827 178.77 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 127' ' ' GLN . . . . . 0.523 HE22 ' HB3' ' A' ' 130' ' ' ASP . 24.2 tp60 -143.49 103.81 4.15 Favored 'General case' 0 C--N 1.314 -0.943 0 CA-C-N 115.559 -0.746 . . . . 74.14 110.306 -172.779 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 21.4 m-85 -85.53 -168.44 2.23 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 115.155 -0.93 . . . . 74.12 109.126 178.078 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 15.6 tppt? -75.72 66.32 2.01 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.882 0.848 . . . . 74.54 109.858 176.409 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 130' ' ' ASP . . . . . 0.523 ' HB3' HE22 ' A' ' 127' ' ' GLN . 4.2 t70 -88.39 -57.63 2.85 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 114.769 -1.105 . . . . 73.12 109.45 176.917 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 48.93 32.45 11.65 Favored Glycine 0 CA--C 1.518 0.23 0 CA-C-N 115.039 -0.982 . . . . 61.13 113.657 179.323 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -86.18 136.35 33.23 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 117.179 0.489 . . . . 70.01 110.824 -178.413 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 28.3 m -93.56 17.71 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 115.871 -0.604 . . . . 75.1 110.439 -178.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 4.7 tt -80.38 87.79 5.61 Favored 'General case' 0 C--N 1.32 -0.691 0 N-CA-C 108.444 -0.947 . . . . 62.31 108.444 177.719 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 31.2 m -153.02 100.42 2.69 Favored Pre-proline 0 C--N 1.322 -0.629 0 CA-C-N 115.728 -0.669 . . . . 70.02 109.848 -178.486 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 136' ' ' PRO . . . . . . . . . . . . . 16.0 Cg_exo -68.11 111.43 2.46 Favored 'Trans proline' 0 N--CA 1.462 -0.342 0 C-N-CA 122.745 2.297 . . . . 73.11 111.763 -179.879 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 91.8 mt -96.82 90.53 5.28 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 116.124 -0.489 . . . . 72.53 110.423 178.884 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 48.8 mtmt 53.23 75.06 0.67 Allowed Pre-proline 0 N--CA 1.464 0.257 0 CA-C-N 115.553 -0.748 . . . . 74.31 111.878 -178.357 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 58.4 Cg_endo -90.04 102.88 0.32 Allowed 'Trans proline' 0 N--CA 1.451 -0.988 0 C-N-CA 122.835 2.357 . . . . 63.22 112.211 179.765 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.046 0 CA-C-O 118.298 -0.858 . . . . 73.01 110.438 179.568 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 19.3 t . . . . . 0 N--CA 1.475 0.779 0 N-CA-C 109.883 -0.414 . . . . 72.03 109.883 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -81.01 113.48 41.13 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.356 -0.383 . . . . 61.01 110.227 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 90.1 Cg_endo -88.88 89.69 0.42 Allowed 'Trans proline' 0 N--CA 1.452 -0.925 0 C-N-CA 122.971 2.448 . . . . 63.34 113.174 -174.402 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 15.8 mmtp -88.88 91.83 8.98 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 121.264 0.554 . . . . 71.14 110.416 174.849 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.531 ' HA ' ' HE2' ' A' ' 52' ' ' LYS . 9.9 mmpt? -75.29 133.16 41.37 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.176 -0.92 . . . . 72.15 109.507 178.849 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 46.9 mtpt -93.95 133.53 37.29 Favored 'General case' 0 C--N 1.32 -0.708 0 N-CA-C 109.705 -0.48 . . . . 65.14 109.705 177.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 64.4 mtt -104.72 125.57 50.93 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.171 0.51 . . . . 73.44 111.305 -175.497 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 67.2 m -121.2 112.86 19.17 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.61 -0.723 . . . . 74.22 109.908 174.411 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 3.1 tppp? -111.26 20.26 17.51 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 122.183 0.992 . . . . 74.14 108.564 178.106 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -132.4 134.48 45.19 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 114.622 -1.172 . . . . 73.15 110.293 -176.853 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 61.7 ttt180 -118.76 128.66 54.7 Favored 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 109.925 -0.398 . . . . 70.01 109.925 174.406 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 69.2 mt -78.58 123.54 85.5 Favored Pre-proline 0 C--N 1.321 -0.663 0 CA-C-N 116.301 -0.409 . . . . 72.45 110.053 179.501 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_exo -53.66 124.99 17.15 Favored 'Trans proline' 0 C--O 1.235 0.334 0 C-N-CA 122.728 2.285 . . . . 74.23 112.016 178.836 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . 0.539 ' N ' ' HD2' ' A' ' 62' ' ' PRO . 53.1 mt-30 -77.71 -44.41 2.45 Favored Pre-proline 0 C--N 1.325 -0.488 0 CA-C-N 115.578 -0.737 . . . . 73.21 112.688 -176.71 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . 0.539 ' HD2' ' N ' ' A' ' 61' ' ' GLN . 37.0 Cg_endo -66.19 178.31 2.58 Favored 'Trans proline' 0 C--N 1.354 0.825 0 C-N-CA 121.695 1.597 . . . . 75.33 112.409 175.237 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 29.0 mmmt -71.2 83.36 0.73 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.206 0.527 . . . . 63.12 110.748 176.73 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . 0.661 ' ND2' ' HB ' ' A' ' 66' ' ' VAL . 11.9 p-10 -75.22 149.86 38.78 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.29 -0.868 . . . . 70.22 110.563 177.089 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 32.5 p -57.24 -29.33 63.7 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.226 -0.897 . . . . 73.11 110.853 178.272 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.661 ' HB ' ' ND2' ' A' ' 64' ' ' ASN . 29.6 t -56.66 -48.31 80.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 115.257 -0.883 . . . . 75.34 110.599 176.888 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . 0.554 ' O ' ' HG3' ' A' ' 71' ' ' GLU . . . -65.86 -36.79 84.43 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.942 -0.572 . . . . 74.34 110.271 178.798 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' MET . . . . . 0.446 ' HB2' HD12 ' A' ' 122' ' ' LEU . 70.9 mmm -59.49 -45.38 91.85 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.746 -0.661 . . . . 72.34 110.752 177.68 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.574 ' HB3' HD11 ' A' ' 76' ' ' LEU . 1.1 mt -62.32 -33.35 74.51 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.924 -0.58 . . . . 75.53 110.958 179.787 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 27.1 m-80 -69.93 -21.09 63.31 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.217 -0.447 . . . . 72.42 110.594 178.843 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.554 ' HG3' ' O ' ' A' ' 67' ' ' ALA . 30.7 mt-10 -85.04 -20.36 30.55 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.056 -0.52 . . . . 73.31 110.226 178.18 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 93.5 mt -94.92 -66.29 0.92 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.128 -0.487 . . . . 74.31 111.622 -178.192 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 10.7 mmt180 -117.16 172.94 6.95 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.167 0.508 . . . . 74.32 111.502 -176.063 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 6.7 p-80 -125.75 164.55 20.41 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.469 -0.787 . . . . 75.04 109.328 174.548 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 80.42 21.15 65.11 Favored Glycine 0 N--CA 1.448 -0.559 0 C-N-CA 120.209 -0.996 . . . . 60.03 111.191 -179.039 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.83 ' H ' HD23 ' A' ' 76' ' ' LEU . 1.4 pt? -85.52 102.2 13.31 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.357 0.598 . . . . 74.5 110.075 179.631 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . 0.534 ' O ' ' HA ' ' A' ' 96' ' ' VAL . 3.4 mp -93.99 112.05 26.17 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.768 0 CA-C-N 115.837 -0.62 . . . . 71.43 110.85 -178.181 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . 0.516 ' CZ ' HG13 ' A' ' 66' ' ' VAL . 97.9 m-85 -89.32 108.92 19.9 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 109.609 -0.515 . . . . 75.33 109.609 173.016 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . 0.433 ' HG3' ' OG ' ' A' ' 95' ' ' SER . 31.5 pttt -127.95 128.38 44.99 Favored 'General case' 0 C--N 1.314 -0.949 0 CA-C-N 115.806 -0.634 . . . . 64.41 110.408 -175.236 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 43.8 tp -74.13 99.49 3.39 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.029 -0.532 . . . . 73.32 109.656 179.096 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . 0.423 ' OE1' ' HB3' ' A' ' 95' ' ' SER . 6.1 pt-20 -82.44 -29.0 30.96 Favored 'General case' 0 C--N 1.323 -0.582 0 C-N-CA 120.449 -0.501 . . . . 74.52 111.136 -174.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 24.9 m -151.78 149.6 29.21 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.796 0.331 . . . . 72.11 111.403 -178.676 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 22.8 tm0? -149.82 117.55 6.22 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 109.346 -0.613 . . . . 74.01 109.346 173.735 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 2.7 p -151.63 154.81 37.13 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.09 -0.504 . . . . 74.31 110.047 -179.876 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 139.56 176.08 14.62 Favored Glycine 0 N--CA 1.448 -0.525 0 C-N-CA 120.457 -0.878 . . . . 44.24 112.811 175.887 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -68.23 171.78 12.14 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.924 2.416 . . . . 73.24 111.899 179.355 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 14.6 p -80.81 -27.86 11.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-O 120.74 0.305 . . . . 74.42 110.987 -178.474 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 35.8 p-80 -75.11 -26.99 59.68 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 120.817 0.341 . . . . 74.3 110.624 179.529 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -153.41 77.14 6.06 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 116.229 -0.441 . . . . 64.21 110.623 178.667 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . 0.441 ' O ' ' HA ' ' A' ' 108' ' ' ARG . 57.8 Cg_endo -78.49 142.65 18.66 Favored 'Trans proline' 0 N--CA 1.458 -0.592 0 C-N-CA 122.234 1.956 . . . . 75.31 111.456 178.677 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 22.0 tp -99.29 131.61 45.19 Favored 'General case' 0 C--N 1.316 -0.858 0 CA-C-O 121.426 0.632 . . . . 74.34 110.767 -178.235 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . 0.405 ' O ' ' HA ' ' A' ' 106' ' ' GLN . 11.0 m-85 -114.33 135.6 53.9 Favored 'General case' 0 C--N 1.313 -1.008 0 CA-C-N 115.093 -0.958 . . . . 73.15 108.654 177.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' THR . . . . . 0.429 HG22 HD12 ' A' ' 104' ' ' LEU . 24.7 m -120.19 100.83 7.42 Favored 'General case' 0 C--N 1.313 -0.99 0 CA-C-O 121.314 0.578 . . . . 55.33 110.388 -176.223 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . 0.433 HG23 ' HA ' ' A' ' 114' ' ' ARG . 7.4 mm -97.45 127.82 49.36 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.792 0 CA-C-N 115.308 -0.86 . . . . 74.21 109.888 -178.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' SER . . . . . 0.54 ' HB2' ' HD3' ' A' ' 102' ' ' LYS . 6.4 p -106.92 123.28 47.94 Favored 'General case' 0 C--N 1.312 -1.03 0 CA-C-N 115.634 -0.712 . . . . 71.12 109.753 178.36 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . 0.534 ' HA ' ' O ' ' A' ' 77' ' ' ILE . 12.6 p -116.28 128.23 73.65 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 CA-C-O 121.401 0.619 . . . . 70.14 109.883 175.938 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 12.0 tt0 -101.64 111.91 24.3 Favored 'General case' 0 C--N 1.315 -0.921 0 CA-C-N 115.79 -0.641 . . . . 74.45 109.648 -177.788 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . 0.411 HG23 HG22 ' A' ' 96' ' ' VAL . 62.0 t -132.47 124.0 50.83 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.784 0 CA-C-N 116.113 -0.494 . . . . 64.12 110.46 -175.523 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 2.1 t70 60.57 21.99 11.78 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-N 115.723 -0.671 . . . . 75.21 111.06 177.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 93.72 -13.88 66.51 Favored Glycine 0 C--N 1.331 0.297 0 C-N-CA 120.941 -0.647 . . . . 74.2 112.204 -179.294 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 16.1 mm-40 -93.03 127.87 38.71 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 121.192 0.52 . . . . 72.31 110.289 178.214 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . 0.54 ' HD3' ' HB2' ' A' ' 95' ' ' SER . 2.5 tmmm? -93.85 106.07 18.06 Favored 'General case' 0 C--N 1.315 -0.911 0 CA-C-N 115.58 -0.736 . . . . 71.22 109.549 179.183 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' TYR . . . . . 0.468 ' HB3' ' HB ' ' A' ' 120' ' ' THR . 79.5 m-85 -93.76 130.85 39.59 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-N 115.376 -0.829 . . . . 75.01 109.594 179.656 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . 0.602 HD21 ' HG2' ' A' ' 139' ' ' PRO . 13.3 tp -104.43 139.07 39.9 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-O 120.982 0.42 . . . . 70.42 110.752 -176.11 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . 0.426 ' HA3' ' N ' ' A' ' 117' ' ' ALA . . . -128.89 125.67 5.01 Favored Glycine 0 N--CA 1.44 -1.075 0 N-CA-C 111.329 -0.708 . . . . 72.42 111.329 177.081 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . 0.405 ' HA ' ' O ' ' A' ' 92' ' ' PHE . 21.2 mt-30 -120.04 122.97 42.3 Favored 'General case' 0 C--N 1.317 -0.812 0 N-CA-C 109.919 -0.4 . . . . 71.34 109.919 -177.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -143.11 -176.39 17.12 Favored Glycine 0 N--CA 1.447 -0.619 0 N-CA-C 111.575 -0.61 . . . . 53.54 111.575 -178.745 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . 0.441 ' HA ' ' O ' ' A' ' 90' ' ' PRO . 24.8 mmt180 -88.04 2.91 50.74 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.133 0.492 . . . . 73.22 110.873 -176.84 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 35.6 m -160.87 165.48 30.07 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 109.317 -0.623 . . . . 74.11 109.317 -179.762 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 91.7 mttt -56.68 -42.8 79.69 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-O 121.199 0.523 . . . . 72.41 109.852 176.203 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 43.3 tttt -52.92 -54.57 32.9 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-N 114.707 -1.133 . . . . 73.41 110.913 178.375 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . 0.485 ' O ' ' HG2' ' A' ' 116' ' ' GLU . 26.3 t -64.64 -51.18 70.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 115.476 -0.784 . . . . 74.41 110.729 -178.066 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -57.8 -39.95 78.77 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.949 -0.569 . . . . 63.1 111.962 -176.11 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' ARG . . . . . 0.48 ' HG3' ' CD1' ' A' ' 78' ' ' TYR . 41.0 ttm180 -65.51 -44.37 87.21 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.872 0.367 . . . . 71.22 110.617 179.908 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 72.8 mt -60.19 -49.03 85.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 115.938 -0.574 . . . . 75.12 110.784 174.588 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . 0.485 ' HG2' ' O ' ' A' ' 112' ' ' VAL . 29.7 mm-40 -57.54 -40.38 78.69 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.463 -0.335 . . . . 74.15 111.545 179.091 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . 0.426 ' N ' ' HA3' ' A' ' 105' ' ' GLY . . . -61.56 -47.44 85.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.117 0.484 . . . . 44.41 110.5 178.749 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . 0.449 ' O ' ' HG ' ' A' ' 122' ' ' LEU . . . -67.91 -32.23 72.56 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.67 -0.696 . . . . 65.34 110.915 179.806 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -64.16 -38.12 89.93 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.167 -0.47 . . . . 75.11 110.373 177.88 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 120' ' ' THR . . . . . 0.468 ' HB ' ' HB3' ' A' ' 103' ' ' TYR . 27.3 m -62.56 -40.69 97.65 Favored 'General case' 0 N--CA 1.452 -0.351 0 CA-C-O 121.336 0.589 . . . . 71.04 110.045 176.426 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -64.9 -52.14 58.14 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.54 -0.754 . . . . 74.25 111.155 178.659 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . 0.449 ' HG ' ' O ' ' A' ' 118' ' ' ALA . 62.0 mt -56.33 -47.87 77.89 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.328 -0.396 . . . . 73.04 111.518 -177.887 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 14.8 ptp180 -69.48 -16.09 63.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.354 -0.385 . . . . 74.32 110.94 -177.036 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 21.7 t -81.98 -28.16 32.81 Favored 'General case' 0 N--CA 1.453 -0.31 0 N-CA-C 109.879 -0.415 . . . . 75.21 109.879 176.542 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 25.0 m-85 -80.72 -56.16 4.33 Favored 'General case' 0 N--CA 1.451 -0.408 0 CA-C-N 116.015 -0.539 . . . . 74.12 110.201 179.52 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -131.93 149.12 32.36 Favored 'Isoleucine or valine' 0 C--O 1.233 0.196 0 CA-C-N 116.264 -0.425 . . . . 74.53 111.16 -176.892 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 15.6 mm-40 -142.4 148.06 37.21 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.851 -0.613 . . . . 74.15 110.283 174.298 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 81.5 m-85 -103.12 26.92 7.65 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.885 -0.598 . . . . 73.22 110.568 -177.363 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 82.2 tttt -165.37 167.08 18.08 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 109.282 -0.636 . . . . 74.25 109.282 -179.339 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 1.7 p30 -61.62 -41.59 97.69 Favored 'General case' 0 C--N 1.33 -0.259 0 O-C-N 123.285 0.366 . . . . 73.21 111.146 177.734 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 67.85 30.57 74.48 Favored Glycine 0 N--CA 1.448 -0.534 0 C-N-CA 120.87 -0.681 . . . . 62.31 111.55 -178.283 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -67.39 142.58 56.68 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 110.466 -0.198 . . . . 71.31 110.466 -179.766 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 38.8 t 61.95 69.03 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 121.765 0.793 . . . . 65.14 109.392 -173.441 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 60.8 tp -99.03 116.12 30.53 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.159 -0.928 . . . . 75.23 110.629 -178.388 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 135' ' ' SER . . . . . 0.442 ' O ' ' HG ' ' A' ' 137' ' ' LEU . 8.2 t -76.77 141.02 67.97 Favored Pre-proline 0 C--N 1.32 -0.69 0 N-CA-C 109.006 -0.738 . . . . 73.5 109.006 176.707 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 136' ' ' PRO . . . . . . . . . . . . . 35.2 Cg_exo -60.83 94.4 0.11 Allowed 'Trans proline' 0 C--N 1.344 0.295 0 C-N-CA 122.291 1.994 . . . . 74.23 111.916 178.19 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 137' ' ' LEU . . . . . 0.442 ' HG ' ' O ' ' A' ' 135' ' ' SER . 65.4 mt -92.65 117.35 29.88 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.775 -0.648 . . . . 71.44 110.032 -178.499 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 138' ' ' LYS . . . . . 0.467 ' HD2' ' N ' ' A' ' 138' ' ' LYS . 0.2 OUTLIER 71.43 121.37 0.03 OUTLIER Pre-proline 0 N--CA 1.464 0.247 0 O-C-N 124.098 0.874 . . . . 75.02 110.388 -177.951 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 139' ' ' PRO . . . . . 0.602 ' HG2' HD21 ' A' ' 104' ' ' LEU . 10.3 Cg_endo -53.89 106.56 0.17 Allowed 'Trans proline' 0 C--N 1.344 0.339 0 C-N-CA 123.381 2.721 . . . . 73.42 113.294 -176.855 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.047 0 CA-C-O 118.383 -0.817 . . . . 50.02 109.53 176.983 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 17.4 m . . . . . 0 N--CA 1.476 0.83 0 N-CA-C 110.348 -0.241 . . . . 52.01 110.348 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . 0.459 ' HA ' ' HD3' ' A' ' 50' ' ' PRO . 21.7 t70 65.21 120.84 0.02 OUTLIER Pre-proline 0 N--CA 1.472 0.639 0 C-N-CA 123.504 0.721 . . . . 74.43 112.367 176.617 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . 0.459 ' HD3' ' HA ' ' A' ' 49' ' ' ASP . 2.0 Cg_endo -84.47 16.96 1.82 Allowed 'Trans proline' 0 CA--C 1.534 0.486 0 C-N-CA 123.361 2.707 . . . . 73.4 114.39 -174.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 30.6 mtmm -84.86 114.27 21.98 Favored 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 120.206 -0.598 . . . . 72.41 109.762 175.616 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.644 ' HB3' ' SG ' ' A' ' 55' ' ' CYS . 21.7 tptm -88.14 123.39 32.75 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.863 -0.608 . . . . 72.42 109.482 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.479 ' HG3' ' HG2' ' A' ' 54' ' ' MET . 22.2 tptm -51.1 -50.91 57.86 Favored 'General case' 0 C--N 1.331 -0.207 0 O-C-N 123.634 0.584 . . . . 64.33 111.764 -177.305 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' MET . . . . . 0.55 ' HB3' ' HE2' ' A' ' 56' ' ' LYS . 22.8 mmt -123.24 88.35 2.91 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 121.06 0.457 . . . . 71.03 110.958 -179.156 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . 0.644 ' SG ' ' HB3' ' A' ' 52' ' ' LYS . 39.2 m -81.67 90.31 6.31 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 108.971 -0.751 . . . . 70.4 108.971 174.056 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.55 ' HE2' ' HB3' ' A' ' 54' ' ' MET . 75.5 mmtt -84.48 79.1 9.69 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 116.136 -0.484 . . . . 74.31 110.389 -176.668 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 41.4 tt0 -95.61 86.98 4.58 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.768 -0.651 . . . . 73.35 109.592 179.087 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 4.3 mmp_? -113.04 3.55 16.22 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.413 -0.812 . . . . 74.54 109.551 179.447 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.409 ' HA ' ' HD3' ' A' ' 60' ' ' PRO . 31.5 pt -66.62 148.32 98.72 Favored Pre-proline 0 C--N 1.326 -0.425 0 CA-C-N 115.451 -0.795 . . . . 74.34 110.792 179.354 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . 0.409 ' HD3' ' HA ' ' A' ' 59' ' ' ILE . 14.8 Cg_exo -68.73 101.85 0.81 Allowed 'Trans proline' 0 N--CA 1.459 -0.514 0 C-N-CA 122.625 2.216 . . . . 74.33 110.964 176.39 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . 0.476 ' HG3' ' ND2' ' A' ' 64' ' ' ASN . 9.2 tp-100 -101.21 112.52 65.13 Favored Pre-proline 0 C--N 1.321 -0.656 0 CA-C-N 116.244 -0.435 . . . . 72.22 110.215 -177.111 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 85.9 Cg_endo -97.46 172.56 0.7 Allowed 'Trans proline' 0 N--CA 1.45 -1.086 0 C-N-CA 123.349 2.699 . . . . 73.23 112.95 178.708 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 35.4 mmtp 56.41 44.33 24.61 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-N 115.515 -0.766 . . . . 75.41 112.4 173.687 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . 0.631 ' OD1' ' HB ' ' A' ' 66' ' ' VAL . 8.5 p30 -139.26 152.34 47.21 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 122.194 0.997 . . . . 63.34 111.691 179.056 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 25.2 p -72.7 -16.81 61.67 Favored 'General case' 0 C--N 1.313 -1.007 0 CA-C-N 114.182 -1.372 . . . . 73.24 110.805 -179.763 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.631 ' HB ' ' OD1' ' A' ' 64' ' ' ASN . 65.3 t -60.75 -48.86 86.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 115.589 -0.732 . . . . 75.02 110.177 177.253 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . 0.525 ' O ' ' HG3' ' A' ' 71' ' ' GLU . . . -63.69 -40.21 96.22 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.798 -0.637 . . . . 74.34 109.957 176.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 77.5 mmm -56.68 -42.18 78.6 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.527 -0.761 . . . . 75.21 111.381 177.539 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.723 HD11 ' HH ' ' A' ' 78' ' ' TYR . 2.9 mt -63.07 -37.33 86.77 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.477 -0.329 . . . . 75.53 111.026 -179.784 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 27.3 m-80 -64.78 -24.32 67.52 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.091 0.472 . . . . 75.14 110.514 179.103 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.525 ' HG3' ' O ' ' A' ' 67' ' ' ALA . 29.9 mt-10 -86.45 -18.73 30.96 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.776 -0.647 . . . . 71.32 110.862 179.743 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 55.7 mt -96.67 -65.08 0.99 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.858 0.361 . . . . 74.33 111.602 -178.062 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -134.83 117.07 15.52 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 120.873 0.368 . . . . 72.44 111.1 -173.433 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 11.4 p-80 -73.72 159.8 32.45 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.899 -0.591 . . . . 74.32 110.14 174.275 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 93.07 30.5 9.3 Favored Glycine 0 N--CA 1.446 -0.638 0 C-N-CA 120.37 -0.919 . . . . 45.32 111.131 -175.636 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.765 ' H ' HD23 ' A' ' 76' ' ' LEU . 1.3 pt? -98.25 114.82 27.21 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.01 0.434 . . . . 75.33 110.454 -179.57 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . 0.471 ' O ' ' HA ' ' A' ' 96' ' ' VAL . 4.2 mp -114.77 110.37 31.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-N 116.146 -0.479 . . . . 71.41 110.589 -178.609 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . 0.723 ' HH ' HD11 ' A' ' 69' ' ' LEU . 90.9 m-85 -90.16 123.08 33.69 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 110.274 -0.269 . . . . 74.0 110.274 177.665 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 16.8 ptpt -132.27 144.08 50.35 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 116.139 -0.482 . . . . 75.31 110.287 179.098 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 49.1 tp -87.48 100.61 12.89 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 109.1 -0.704 . . . . 72.21 109.1 177.728 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -85.82 -27.24 25.25 Favored 'General case' 0 C--N 1.325 -0.483 0 C-N-CA 120.519 -0.472 . . . . 72.23 111.7 -173.215 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 70.7 m -156.86 153.48 28.3 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.943 0.401 . . . . 75.33 111.074 -178.793 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 23.2 tm0? -149.98 116.57 5.82 Favored 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 108.592 -0.892 . . . . 75.4 108.592 178.266 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 22.5 p -147.62 157.4 43.54 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 116.324 -0.398 . . . . 63.55 110.854 -174.064 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 129.22 -165.06 22.04 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.253 -0.975 . . . . 53.25 112.825 172.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -75.15 177.04 9.14 Favored 'Trans proline' 0 N--CA 1.462 -0.373 0 C-N-CA 122.932 2.421 . . . . 64.24 111.887 177.314 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 13.2 p -92.21 -27.13 4.77 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-O 120.898 0.38 . . . . 75.3 110.319 -179.317 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 49.7 p-80 -75.91 -23.85 55.56 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.254 -0.43 . . . . 75.44 110.358 -179.682 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . 0.422 ' HB2' ' HD2' ' A' ' 108' ' ' ARG . . . -155.59 72.59 5.43 Favored Pre-proline 0 C--N 1.328 -0.359 0 CA-C-N 116.326 -0.397 . . . . 65.24 110.537 178.611 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . 0.525 ' O ' ' HA ' ' A' ' 108' ' ' ARG . 5.5 Cg_exo -71.54 146.29 49.2 Favored 'Trans proline' 0 N--CA 1.454 -0.795 0 C-N-CA 121.998 1.799 . . . . 64.23 111.786 -178.305 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.412 HD11 ' HB3' ' A' ' 106' ' ' GLN . 2.8 tm? -98.21 115.91 29.33 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-O 121.364 0.602 . . . . 64.51 109.569 -179.582 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 21.0 m-85 -100.82 136.19 41.08 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 115.259 -0.882 . . . . 74.12 109.121 179.216 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 15.5 m -119.17 103.05 9.17 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 121.03 0.443 . . . . 75.53 110.591 -176.755 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . 0.524 HG23 ' HA ' ' A' ' 114' ' ' ARG . 7.1 mm -100.38 128.64 52.19 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 CA-C-N 115.667 -0.697 . . . . 73.22 109.766 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' SER . . . . . 0.569 ' HB2' ' HD3' ' A' ' 102' ' ' LYS . 0.6 OUTLIER -110.14 137.64 47.61 Favored 'General case' 0 C--N 1.314 -0.962 0 CA-C-N 116.016 -0.538 . . . . 54.23 110.431 175.651 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . 0.498 HG11 ' HB1' ' A' ' 117' ' ' ALA . 7.1 p -133.34 128.1 54.89 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.818 0 CA-C-N 115.822 -0.626 . . . . 72.24 110.14 176.149 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 26.7 tt0 -96.7 115.72 27.91 Favored 'General case' 0 C--N 1.316 -0.867 0 N-CA-C 109.353 -0.61 . . . . 73.1 109.353 176.489 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 18.6 t -124.34 120.92 60.48 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.792 0 CA-C-N 115.868 -0.605 . . . . 74.13 109.763 -176.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 22.1 t70 67.27 1.73 2.55 Favored 'General case' 0 N--CA 1.47 0.556 0 O-C-N 123.739 0.649 . . . . 64.14 111.142 179.708 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 120.33 -19.05 9.36 Favored Glycine 0 N--CA 1.446 -0.669 0 C-N-CA 120.944 -0.646 . . . . 74.22 112.298 -178.695 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' GLN . . . . . 0.487 ' HA ' ' NE2' ' A' ' 101' ' ' GLN . 13.6 mm-40 -91.99 133.57 35.6 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.991 0.424 . . . . 63.52 111.249 -179.873 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . 0.569 ' HD3' ' HB2' ' A' ' 95' ' ' SER . 0.5 OUTLIER -98.03 100.29 11.61 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.826 -0.624 . . . . 74.14 109.809 -176.195 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 70.6 m-85 -89.84 147.74 23.6 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.553 -0.749 . . . . 74.54 109.974 -178.813 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 13.3 tp -118.47 137.13 53.39 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 120.877 0.37 . . . . 73.41 110.853 -177.172 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . 0.403 ' HA3' ' N ' ' A' ' 117' ' ' ALA . . . -130.98 131.15 6.32 Favored Glycine 0 N--CA 1.446 -0.681 0 N-CA-C 111.456 -0.658 . . . . 72.23 111.456 178.909 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . 0.412 ' HB3' HD11 ' A' ' 91' ' ' LEU . 23.8 mt-30 -122.67 125.25 45.21 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 120.867 0.365 . . . . 75.34 110.691 -175.378 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -145.28 179.69 22.19 Favored Glycine 0 N--CA 1.448 -0.505 0 C-N-CA 120.811 -0.709 . . . . 65.04 112.188 -178.13 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . 0.525 ' HA ' ' O ' ' A' ' 90' ' ' PRO . 29.0 mmt180 -88.75 6.92 36.42 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.176 0.513 . . . . 72.52 111.309 -177.309 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 49.3 m -160.57 165.94 29.88 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 108.665 -0.865 . . . . 52.11 108.665 178.283 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 55.3 mttp -59.07 -39.62 82.7 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.188 0.518 . . . . 71.03 110.343 -179.27 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 82.2 tttt -62.55 -53.81 49.15 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.248 -0.887 . . . . 74.55 111.056 -179.491 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . 0.455 ' O ' ' HG2' ' A' ' 116' ' ' GLU . 22.5 t -53.79 -50.95 48.68 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 115.923 -0.58 . . . . 74.41 110.248 179.517 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -60.9 -41.54 96.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.841 -0.618 . . . . 62.03 111.744 -177.035 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' ARG . . . . . 0.524 ' HA ' HG23 ' A' ' 94' ' ' ILE . 22.5 ttm180 -63.03 -41.98 99.66 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.897 0.38 . . . . 72.22 110.57 179.635 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 115' ' ' ILE . . . . . 0.519 HG12 ' HB2' ' A' ' 64' ' ' ASN . 73.4 mt -65.74 -47.92 84.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 116.026 -0.533 . . . . 63.34 111.044 176.576 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . 0.455 ' HG2' ' O ' ' A' ' 112' ' ' VAL . 42.8 mm-40 -57.84 -38.57 75.9 Favored 'General case' 0 C--O 1.236 0.349 0 CA-C-O 120.927 0.394 . . . . 65.02 111.642 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . 0.498 ' HB1' HG11 ' A' ' 96' ' ' VAL . . . -62.49 -44.89 95.27 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.257 -0.429 . . . . 74.31 110.382 177.315 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . 0.509 ' O ' ' HG ' ' A' ' 122' ' ' LEU . . . -67.13 -35.72 80.34 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.709 -0.678 . . . . 74.43 111.274 -179.844 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -61.65 -38.57 88.22 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.137 0.494 . . . . 72.32 110.584 179.89 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 120' ' ' THR . . . . . 0.467 ' O ' ' HG2' ' A' ' 123' ' ' ARG . 21.4 m -67.44 -41.88 84.04 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.669 -0.696 . . . . 70.32 110.287 178.567 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -59.39 -47.11 86.69 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.767 -0.651 . . . . 70.11 110.738 178.333 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . 0.509 ' HG ' ' O ' ' A' ' 118' ' ' ALA . 37.4 mt -53.25 -49.65 66.42 Favored 'General case' 0 N--CA 1.462 0.152 0 CA-C-N 115.97 -0.559 . . . . 71.24 111.542 -177.556 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 123' ' ' ARG . . . . . 0.47 ' HA ' ' O ' ' A' ' 126' ' ' ILE . 23.9 ptt180 -66.39 -24.92 66.56 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.466 -0.334 . . . . 73.53 111.011 -175.376 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 4.7 t -73.38 -24.06 60.26 Favored 'General case' 0 N--CA 1.453 -0.311 0 CA-C-O 121.122 0.487 . . . . 53.22 110.156 179.682 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 63.7 m-85 -87.54 -54.72 4.13 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.048 -0.524 . . . . 74.34 110.333 175.721 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 126' ' ' ILE . . . . . 0.47 ' O ' ' HA ' ' A' ' 123' ' ' ARG . 0.2 OUTLIER -137.83 149.2 25.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.135 -0.484 . . . . 74.43 110.619 -178.592 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -137.92 77.99 1.66 Allowed 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.592 0.71 . . . . 75.42 110.211 175.206 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 128' ' ' PHE . . . . . 0.449 ' CD1' ' HB ' ' A' ' 126' ' ' ILE . 45.1 m-85 -104.86 177.45 4.85 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.37 -0.832 . . . . 75.13 110.187 -177.532 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 18.7 ptpt 47.88 26.7 0.98 Allowed 'General case' 0 N--CA 1.474 0.731 0 O-C-N 124.395 1.06 . . . . 74.4 112.19 179.605 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -110.44 -42.39 4.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.16 0.505 . . . . 74.02 109.901 179.141 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 89.12 13.62 61.76 Favored Glycine 0 N--CA 1.448 -0.527 0 N-CA-C 110.765 -0.934 . . . . 72.04 110.765 -175.259 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -56.24 135.91 53.23 Favored 'General case' 0 C--O 1.235 0.335 0 CA-C-N 114.936 -0.632 . . . . 72.33 111.325 -179.005 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 35.1 m -110.52 141.64 25.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 116.07 -0.514 . . . . 73.15 111.296 -175.722 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 3.6 pp -121.18 11.26 10.84 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 121.789 0.804 . . . . 74.15 109.336 173.867 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 68.8 m -87.39 151.61 51.18 Favored Pre-proline 0 C--N 1.318 -0.767 0 CA-C-N 114.509 -1.223 . . . . 75.02 110.508 -179.811 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 136' ' ' PRO . . . . . . . . . . . . . 39.6 Cg_endo -68.3 108.3 1.76 Allowed 'Trans proline' 0 N--CA 1.463 -0.31 0 C-N-CA 122.579 2.186 . . . . 62.41 112.003 177.594 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 4.5 pp -101.28 144.33 30.26 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.156 -0.474 . . . . 71.33 110.123 177.08 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 138' ' ' LYS . . . . . 0.498 ' HD2' ' HD2' ' A' ' 139' ' ' PRO . 13.4 tptm -89.65 125.49 61.06 Favored Pre-proline 0 C--N 1.322 -0.621 0 CA-C-N 116.119 -0.492 . . . . 74.52 110.842 -179.487 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 139' ' ' PRO . . . . . 0.498 ' HD2' ' HD2' ' A' ' 138' ' ' LYS . 93.2 Cg_endo -80.73 -155.5 0.06 OUTLIER 'Trans proline' 0 CA--C 1.531 0.35 0 C-N-CA 122.89 2.393 . . . . 73.52 111.352 172.06 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.083 0 CA-C-O 118.788 -0.625 . . . . 53.54 110.493 176.154 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 19.3 m . . . . . 0 N--CA 1.474 0.753 0 CA-C-O 120.637 0.256 . . . . 64.3 110.661 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -69.6 117.25 51.26 Favored Pre-proline 0 C--N 1.33 -0.244 0 N-CA-C 109.937 -0.394 . . . . 75.44 109.937 178.121 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 37.9 Cg_endo -88.51 113.16 0.71 Allowed 'Trans proline' 0 N--CA 1.45 -1.045 0 C-N-CA 122.658 2.238 . . . . 73.42 112.293 -179.375 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 53.2 tptt -69.0 108.87 3.7 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 109.689 -0.486 . . . . 73.32 109.689 175.471 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 15.2 tppt? -93.7 115.51 27.96 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.153 -0.476 . . . . 60.42 109.814 -177.318 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.41 ' HD2' ' N ' ' A' ' 53' ' ' LYS . 0.1 OUTLIER -82.53 -42.65 18.11 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.067 0.46 . . . . 74.04 110.305 -177.869 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 27.0 ptt? -153.46 130.16 10.81 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.018 -0.537 . . . . 63.11 110.521 178.503 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 26.6 t -148.73 89.69 1.71 Allowed 'General case' 0 C--N 1.318 -0.765 0 N-CA-C 108.933 -0.765 . . . . 44.5 108.933 176.137 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 46.1 mttp -86.71 93.14 9.16 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.846 -0.616 . . . . 75.42 110.765 -177.479 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -146.35 55.51 1.15 Allowed 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 121.474 0.654 . . . . 71.44 110.064 179.084 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.485 ' O ' ' HD3' ' A' ' 60' ' ' PRO . 48.6 mtm180 -81.65 102.24 10.56 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 109.416 -0.587 . . . . 72.52 109.416 174.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 11.3 pt -113.32 85.9 9.15 Favored Pre-proline 0 C--N 1.322 -0.591 0 CA-C-N 116.2 -0.455 . . . . 71.32 111.089 179.545 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . 0.881 ' HA ' ' HB3' ' A' ' 67' ' ' ALA . 9.8 Cg_endo -90.65 19.04 1.22 Allowed 'Trans proline' 0 N--CA 1.456 -0.691 0 C-N-CA 123.429 2.753 . . . . 73.44 111.726 178.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -77.51 -52.16 1.78 Allowed Pre-proline 0 C--N 1.325 -0.481 0 CA-C-N 115.466 -0.788 . . . . 74.41 111.542 -177.648 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 6.2 Cg_exo -74.89 -177.41 3.42 Favored 'Trans proline' 0 C--N 1.354 0.823 0 C-N-CA 121.948 1.765 . . . . 71.3 112.032 178.038 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 44.4 mmtm -101.8 9.95 40.34 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.086 0.47 . . . . 70.14 110.474 -179.047 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 17.0 p-10 -59.66 142.32 53.23 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.426 -0.806 . . . . 73.35 110.648 176.264 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 34.1 p -56.77 -27.68 59.99 Favored 'General case' 0 C--N 1.315 -0.913 0 CA-C-N 114.848 -1.069 . . . . 73.05 111.392 -179.816 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 38.4 t -57.21 -44.92 84.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 115.584 -0.735 . . . . 71.33 110.405 176.306 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . 0.881 ' HB3' ' HA ' ' A' ' 60' ' ' PRO . . . -62.32 -42.92 99.78 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.756 -0.656 . . . . 74.53 110.09 178.463 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 69.0 mmm -58.44 -44.3 89.1 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.22 -0.9 . . . . 73.32 110.727 178.782 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.567 ' HB3' HD11 ' A' ' 76' ' ' LEU . 0.9 OUTLIER -62.04 -37.27 84.29 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.062 -0.517 . . . . 55.04 111.491 179.498 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . 0.462 ' OD1' ' HG2' ' A' ' 58' ' ' ARG . 20.3 m-80 -69.04 -20.27 64.12 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-O 121.178 0.514 . . . . 74.34 110.732 -178.045 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 -86.91 -26.67 23.8 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.598 -0.728 . . . . 74.33 110.955 178.612 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 80.3 mt -86.35 -61.09 1.82 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.054 -0.521 . . . . 72.04 112.027 -175.369 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . 0.404 HH11 ' HD3' ' A' ' 73' ' ' ARG . 6.3 mmt-85 -125.29 173.57 8.73 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.939 0.399 . . . . 72.24 111.311 -175.763 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 10.3 p-80 -121.64 160.3 24.71 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.611 -0.722 . . . . 73.01 109.284 174.582 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 78.42 38.11 25.89 Favored Glycine 0 N--CA 1.446 -0.672 0 C-N-CA 120.317 -0.945 . . . . 62.22 111.508 -177.666 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.69 HD21 ' H ' ' A' ' 76' ' ' LEU . 0.7 OUTLIER -95.39 88.67 5.18 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.344 0.592 . . . . 51.23 110.008 178.205 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 4.3 mp -89.28 108.46 19.16 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-N 115.958 -0.564 . . . . 74.32 110.524 -177.322 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . 0.49 ' HH ' HD12 ' A' ' 69' ' ' LEU . 94.1 m-85 -82.63 119.66 24.57 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 109.533 -0.543 . . . . 74.35 109.533 174.843 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . 0.618 ' HG2' ' O ' ' A' ' 95' ' ' SER . 14.3 ptpt -127.47 133.9 49.86 Favored 'General case' 0 C--N 1.318 -0.8 0 N-CA-C 109.807 -0.442 . . . . 75.02 109.807 -179.256 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.507 HD23 ' HE2' ' A' ' 110' ' ' LYS . 34.0 tp -81.49 116.07 21.1 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 109.189 -0.671 . . . . 73.31 109.189 177.336 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -93.35 -29.84 15.42 Favored 'General case' 0 C--N 1.322 -0.603 0 C-N-CA 120.292 -0.563 . . . . 71.11 111.631 -177.581 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 3.0 p -156.93 144.92 19.32 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.055 0.455 . . . . 71.21 111.749 -179.275 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 20.9 tm0? -125.48 124.46 41.42 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 109.025 -0.732 . . . . 72.52 109.025 174.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 7.2 p -146.41 -164.6 2.01 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.006 -0.543 . . . . 74.25 110.334 -176.653 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 95.11 175.37 37.77 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 121.164 -0.541 . . . . 72.23 113.095 171.711 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -68.25 -174.83 0.71 Allowed 'Trans proline' 0 C--N 1.345 0.36 0 C-N-CA 123.125 2.55 . . . . 73.21 111.738 176.525 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 9.9 p -97.75 -25.35 4.13 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.754 0 C-N-CA 120.514 -0.474 . . . . 74.35 110.401 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 43.1 p-80 -76.86 -24.91 52.61 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.998 0.428 . . . . 71.52 110.022 179.353 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -160.62 74.25 2.79 Favored Pre-proline 0 C--N 1.327 -0.37 0 CA-C-N 115.804 -0.635 . . . . 75.31 110.108 179.076 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . 0.619 ' O ' ' HA ' ' A' ' 108' ' ' ARG . 11.5 Cg_exo -65.42 166.86 18.21 Favored 'Trans proline' 0 N--CA 1.454 -0.802 0 C-N-CA 121.886 1.724 . . . . 73.51 112.115 -176.254 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.452 HD13 ' NE2' ' A' ' 106' ' ' GLN . 2.9 tm? -113.35 112.19 23.26 Favored 'General case' 0 C--N 1.314 -0.96 0 CA-C-N 115.475 -0.784 . . . . 71.13 109.26 179.713 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . 0.473 ' O ' ' HA ' ' A' ' 106' ' ' GLN . 34.0 m-85 -104.14 131.74 51.1 Favored 'General case' 0 C--N 1.314 -0.958 0 CA-C-N 115.1 -0.954 . . . . 72.14 108.958 179.489 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 19.7 m -113.27 104.85 12.74 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-O 121.313 0.578 . . . . 72.42 110.923 -178.183 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 5.7 mm -99.6 130.11 49.13 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.674 0 CA-C-N 115.336 -0.847 . . . . 62.03 110.055 179.124 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' SER . . . . . 0.622 ' CB ' ' HD3' ' A' ' 102' ' ' LYS . 0.1 OUTLIER -107.96 120.77 43.23 Favored 'General case' 0 C--N 1.312 -1.038 0 CA-C-N 115.537 -0.756 . . . . 73.32 109.616 175.507 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . 0.434 ' HB ' ' CD1' ' A' ' 78' ' ' TYR . 10.1 p -110.14 124.81 67.19 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.822 0 C-N-CA 120.347 -0.541 . . . . 73.33 110.316 178.324 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 15.5 tt0 -95.47 113.57 25.24 Favored 'General case' 0 C--N 1.315 -0.9 0 N-CA-C 108.991 -0.744 . . . . 63.43 108.991 179.895 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . 0.404 HG22 HG23 ' A' ' 96' ' ' VAL . 32.7 t -134.29 123.51 43.43 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.775 0 CA-C-N 116.288 -0.414 . . . . 75.32 110.492 -175.885 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 20.1 t70 63.71 16.71 9.94 Favored 'General case' 0 CA--C 1.532 0.284 0 CA-C-O 121.46 0.648 . . . . 73.04 110.469 176.659 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 96.83 -11.68 66.13 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.873 -0.679 . . . . 71.44 112.208 -179.162 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 7.4 mm-40 -96.99 132.98 42.26 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.852 0.358 . . . . 72.14 110.34 177.266 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . 0.622 ' HD3' ' CB ' ' A' ' 95' ' ' SER . 2.0 tmmm? -94.97 113.4 25.1 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 121.055 0.455 . . . . 73.12 109.824 178.606 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' TYR . . . . . 0.406 ' HB3' ' HB ' ' A' ' 120' ' ' THR . 63.5 m-85 -100.63 141.84 32.93 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.79 -0.641 . . . . 71.24 109.656 177.519 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . 0.801 HD21 ' HE2' ' A' ' 138' ' ' LYS . 13.7 tp -114.02 144.67 42.72 Favored 'General case' 0 C--N 1.32 -0.683 0 C-N-CA 120.731 -0.387 . . . . 75.23 110.905 -174.682 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . 0.555 ' HA3' ' N ' ' A' ' 117' ' ' ALA . . . -142.52 136.21 7.05 Favored Glycine 0 N--CA 1.446 -0.672 0 N-CA-C 111.559 -0.616 . . . . 74.03 111.559 177.882 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . 0.473 ' HA ' ' O ' ' A' ' 92' ' ' PHE . 26.4 mt-30 -124.4 112.17 16.61 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.899 0.38 . . . . 73.14 110.408 -175.773 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -125.58 -172.64 13.46 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.965 -0.636 . . . . 72.5 112.371 -175.785 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . 0.619 ' HA ' ' O ' ' A' ' 90' ' ' PRO . 45.3 mmt-85 -90.33 -3.7 57.58 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.213 0.53 . . . . 72.42 110.939 -178.239 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' SER . . . . . 0.417 ' HB2' HG22 ' A' ' 112' ' ' VAL . 48.8 m -155.64 165.74 35.65 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 108.265 -1.013 . . . . 54.43 108.265 -178.882 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . 0.507 ' HE2' HD23 ' A' ' 80' ' ' LEU . 99.0 mttt -57.53 -43.28 84.23 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.293 0.568 . . . . 75.4 110.121 178.327 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 74.1 tttt -61.83 -48.84 78.75 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.2 -0.909 . . . . 75.12 110.752 179.469 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . 0.629 ' O ' ' HG2' ' A' ' 116' ' ' GLU . 45.1 t -61.86 -47.26 94.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 115.696 -0.684 . . . . 75.31 110.231 179.925 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -59.97 -38.33 82.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.09 -0.505 . . . . 75.52 111.105 179.685 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 16.8 ttm180 -60.3 -42.65 95.98 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.885 -0.598 . . . . 74.12 110.219 176.836 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 68.8 mt -61.49 -51.83 68.27 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.281 0 CA-C-N 115.762 -0.654 . . . . 72.54 110.722 175.041 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . 0.629 ' HG2' ' O ' ' A' ' 112' ' ' VAL . 5.2 mm-40 -57.96 -39.16 77.45 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 120.891 0.377 . . . . 72.04 111.268 -178.911 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . 0.555 ' N ' ' HA3' ' A' ' 105' ' ' GLY . . . -63.21 -44.99 93.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.133 0.492 . . . . 63.45 110.813 178.332 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . 0.55 ' O ' ' HG ' ' A' ' 122' ' ' LEU . . . -66.35 -30.22 70.57 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.538 -0.756 . . . . 75.24 110.934 179.522 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -60.43 -42.82 96.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.121 -0.491 . . . . 54.1 110.731 178.372 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 120' ' ' THR . . . . . 0.482 ' O ' ' HG2' ' A' ' 123' ' ' ARG . 31.6 m -63.04 -42.01 99.65 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.21 0.529 . . . . 70.12 110.657 177.796 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -61.45 -44.86 96.37 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.995 -0.548 . . . . 70.2 110.994 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . 0.55 ' HG ' ' O ' ' A' ' 118' ' ' ALA . 65.3 mt -57.88 -45.22 86.7 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.145 -0.479 . . . . 72.54 111.39 -177.779 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 123' ' ' ARG . . . . . 0.482 ' HG2' ' O ' ' A' ' 120' ' ' THR . 13.0 ptt180 -67.95 -20.27 65.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.76 0.314 . . . . 74.31 110.777 -175.689 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 27.1 m -78.71 -27.64 44.95 Favored 'General case' 0 N--CA 1.441 -0.879 0 CA-C-O 120.723 0.297 . . . . 61.3 111.545 176.308 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 27.1 m-85 -89.6 -57.95 2.69 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.961 0.41 . . . . 64.54 111.299 -177.47 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 126' ' ' ILE . . . . . 0.406 HD13 ' H ' ' A' ' 126' ' ' ILE . 0.2 OUTLIER -117.21 150.64 19.2 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-O 120.788 0.327 . . . . 71.43 110.193 -178.339 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -130.04 156.66 44.13 Favored 'General case' 0 C--N 1.319 -0.725 0 N-CA-C 109.694 -0.484 . . . . 73.53 109.694 177.8 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 61.0 m-85 -116.19 133.83 55.59 Favored 'General case' 0 C--N 1.318 -0.767 0 N-CA-C 109.922 -0.399 . . . . 75.23 109.922 -177.67 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 53.7 mtpt -87.0 89.31 7.95 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 109.352 -0.61 . . . . 72.43 109.352 178.225 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 54.0 p-10 -115.16 -23.4 9.0 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.168 -0.923 . . . . 74.21 111.561 -174.157 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 64.94 23.68 69.57 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.862 -0.685 . . . . 62.24 111.922 -177.25 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -103.08 168.38 9.22 Favored 'General case' 0 N--CA 1.451 -0.38 0 CA-C-O 121.023 0.44 . . . . 74.11 111.088 -176.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 21.3 m -119.14 29.29 2.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-N 115.95 -0.568 . . . . 74.14 110.988 -179.265 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 58.7 tp -97.34 100.21 11.66 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.963 -0.562 . . . . 73.21 110.45 -177.884 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 37.5 t -152.23 81.81 5.49 Favored Pre-proline 0 C--N 1.326 -0.455 0 CA-C-N 116.007 -0.542 . . . . 74.11 110.329 177.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 136' ' ' PRO . . . . . . . . . . . . . 3.5 Cg_exo -76.29 95.53 1.04 Allowed 'Trans proline' 0 N--CA 1.461 -0.404 0 C-N-CA 122.866 2.377 . . . . 74.3 111.455 178.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 94.9 mt -84.89 168.09 15.38 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.115 -0.493 . . . . 65.4 110.709 -179.325 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 138' ' ' LYS . . . . . 0.801 ' HE2' HD21 ' A' ' 104' ' ' LEU . 18.0 pttp -82.05 164.84 46.46 Favored Pre-proline 0 C--N 1.325 -0.49 0 CA-C-N 116.023 -0.535 . . . . 73.45 110.125 -179.431 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 139' ' ' PRO . . . . . 0.431 ' O ' ' HG3' ' A' ' 138' ' ' LYS . 15.6 Cg_endo -59.48 153.21 56.1 Favored 'Trans proline' 0 C--O 1.234 0.306 0 C-N-CA 122.171 1.914 . . . . 74.42 110.772 170.03 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.032 0 CA-C-O 118.732 -0.652 . . . . 74.12 111.014 -176.093 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 16.8 m . . . . . 0 N--CA 1.478 0.957 0 N-CA-C 109.705 -0.48 . . . . 62.12 109.705 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . 0.775 ' HB3' ' HD2' ' A' ' 50' ' ' PRO . 6.3 m-20 72.08 174.74 0.08 OUTLIER Pre-proline 0 CA--C 1.534 0.363 0 O-C-N 123.609 0.568 . . . . 64.1 111.637 166.475 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . 0.775 ' HD2' ' HB3' ' A' ' 49' ' ' ASP . 95.1 Cg_endo -77.83 -0.71 10.91 Favored 'Trans proline' 0 C--N 1.347 0.479 0 C-N-CA 122.336 2.024 . . . . 72.12 112.903 179.743 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.408 ' H ' ' HD3' ' A' ' 51' ' ' LYS . 0.0 OUTLIER -132.41 117.55 18.22 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.325 0.583 . . . . 75.44 110.231 179.124 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.427 ' HE2' ' HB2' ' A' ' 52' ' ' LYS . 2.3 mppt? -114.6 93.57 4.39 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.752 -0.658 . . . . 70.45 109.493 177.633 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 14.3 mmmm -78.2 106.67 10.26 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 121.257 0.551 . . . . 74.23 110.508 -179.33 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' MET . . . . . 0.42 ' SD ' ' N ' ' A' ' 54' ' ' MET . 0.0 OUTLIER -74.15 108.07 6.73 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.386 -0.825 . . . . 73.33 110.519 179.016 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 57.8 m -81.72 136.48 35.46 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.829 -0.623 . . . . 73.01 109.419 178.284 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 31.3 mmtp -85.44 94.13 8.92 Favored 'General case' 0 C--N 1.321 -0.652 0 C-N-CA 120.788 -0.365 . . . . 75.12 110.333 179.364 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -63.18 104.27 0.57 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.963 -0.562 . . . . 61.44 110.171 176.178 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 13.1 mmm180 -95.59 131.23 42.02 Favored 'General case' 0 C--N 1.317 -0.839 0 CA-C-N 115.651 -0.704 . . . . 73.44 109.715 -177.811 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 23.8 pt -52.23 107.0 0.73 Allowed Pre-proline 0 CA--C 1.533 0.31 0 O-C-N 123.834 0.709 . . . . 75.32 112.266 -175.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 86.5 Cg_endo -96.12 -170.52 0.17 Allowed 'Trans proline' 0 N--CA 1.448 -1.153 0 C-N-CA 123.322 2.681 . . . . 65.44 112.135 -178.216 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 24.5 mp0 -84.05 131.04 52.43 Favored Pre-proline 0 C--N 1.32 -0.715 0 CA-C-N 115.931 -0.577 . . . . 60.22 109.657 176.427 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 31.1 Cg_exo -59.69 92.54 0.08 OUTLIER 'Trans proline' 0 C--O 1.234 0.308 0 C-N-CA 123.127 2.551 . . . . 63.23 113.048 -176.666 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 50.6 mtmt -132.18 -2.51 3.55 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.497 -0.774 . . . . 73.44 109.587 174.526 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . 0.504 ' ND2' ' HB ' ' A' ' 66' ' ' VAL . 15.8 p-10 -107.82 150.82 26.54 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.081 -0.963 . . . . 64.54 110.869 -176.663 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 33.8 p -65.8 -24.07 66.84 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 115.078 -0.964 . . . . 73.13 110.908 -179.393 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.504 ' HB ' ' ND2' ' A' ' 64' ' ' ASN . 38.8 t -56.85 -46.17 83.46 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 CA-C-N 115.442 -0.799 . . . . 65.32 110.353 176.512 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . 0.539 ' O ' ' HG2' ' A' ' 71' ' ' GLU . . . -65.12 -39.68 93.42 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.417 -0.811 . . . . 73.12 110.217 178.488 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 82.6 mmm -58.93 -40.31 84.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.438 -0.801 . . . . 74.13 111.055 179.067 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.743 HD13 ' HH ' ' A' ' 78' ' ' TYR . 3.6 mt -65.58 -33.16 75.27 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.178 -0.464 . . . . 73.55 111.359 -179.849 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 26.1 m-80 -71.04 -19.97 62.43 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.181 0.515 . . . . 72.44 110.241 179.871 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.539 ' HG2' ' O ' ' A' ' 67' ' ' ALA . 19.2 mm-40 -84.23 -25.44 29.44 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.552 -0.749 . . . . 63.55 110.59 177.229 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 71.4 mt -96.26 -47.02 6.19 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 112.291 0.478 . . . . 74.24 112.291 -174.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 75.1 mmt-85 -130.89 161.13 32.53 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.259 0.552 . . . . 65.14 111.318 -179.615 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 5.5 p-80 -122.5 153.79 38.71 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 115.259 -0.882 . . . . 62.31 109.194 173.207 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 92.74 17.72 43.64 Favored Glycine 0 N--CA 1.445 -0.721 0 C-N-CA 120.341 -0.933 . . . . 75.25 111.651 -177.866 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.854 ' H ' HD23 ' A' ' 76' ' ' LEU . 1.3 pt? -85.01 133.26 34.25 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 110.032 -0.359 . . . . 64.22 110.032 179.03 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 2.6 mp -126.28 109.72 21.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 116.506 -0.316 . . . . 74.42 110.532 -178.689 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . 0.743 ' HH ' HD13 ' A' ' 69' ' ' LEU . 96.7 m-85 -86.81 119.41 27.01 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 109.864 -0.421 . . . . 74.31 109.864 176.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 16.6 ptpt -132.43 136.02 46.47 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-O 121.027 0.441 . . . . 72.33 110.749 -179.021 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 47.1 tp -79.23 100.33 7.45 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 109.308 -0.627 . . . . 64.43 109.308 175.845 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -92.48 -21.06 20.36 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 120.881 0.372 . . . . 72.44 111.739 -174.167 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' SER . . . . . 0.535 ' HB2' ' HB ' ' A' ' 93' ' ' THR . 25.1 m -148.36 141.12 24.62 Favored 'General case' 0 C--N 1.319 -0.742 0 N-CA-C 109.95 -0.389 . . . . 71.04 109.95 178.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 21.3 tm0? -148.88 103.44 3.36 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 108.842 -0.799 . . . . 71.05 108.842 177.295 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 20.0 p -148.2 164.2 34.66 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.829 -0.623 . . . . 73.3 110.473 -175.516 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 129.78 -165.92 22.1 Favored Glycine 0 N--CA 1.445 -0.753 0 C-N-CA 120.277 -0.963 . . . . 71.44 112.517 174.493 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -75.24 172.24 16.73 Favored 'Trans proline' 0 N--CA 1.462 -0.354 0 C-N-CA 123.046 2.497 . . . . 73.45 111.668 177.755 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 10.5 p -90.21 -18.97 7.44 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 C-N-CA 120.842 -0.343 . . . . 70.22 110.566 -179.791 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 35.4 p-80 -79.2 -23.64 43.7 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-O 120.871 0.367 . . . . 74.41 110.413 178.039 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . 0.528 ' HB1' ' HD2' ' A' ' 108' ' ' ARG . . . -159.91 75.9 2.95 Favored Pre-proline 0 C--N 1.327 -0.391 0 CA-C-N 116.105 -0.498 . . . . 71.21 110.475 179.561 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . 0.526 ' O ' ' HA ' ' A' ' 108' ' ' ARG . 3.7 Cg_exo -69.31 146.27 62.4 Favored 'Trans proline' 0 N--CA 1.455 -0.753 0 C-N-CA 122.127 1.884 . . . . 72.32 111.35 -179.249 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -98.92 114.9 27.73 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-O 121.476 0.655 . . . . 73.44 109.668 -179.573 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . 0.451 ' O ' ' HA ' ' A' ' 106' ' ' GLN . 10.3 m-85 -101.37 134.67 44.09 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 115.085 -0.961 . . . . 64.14 108.673 178.345 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' THR . . . . . 0.535 ' HB ' ' HB2' ' A' ' 82' ' ' SER . 19.6 m -119.37 103.25 9.3 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-O 120.992 0.425 . . . . 73.11 110.296 -177.514 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 8.5 mm -100.58 129.15 51.85 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.712 0 CA-C-N 115.619 -0.719 . . . . 75.03 109.547 179.242 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' SER . . . . . 0.527 ' HB2' ' HD3' ' A' ' 102' ' ' LYS . 3.3 p -113.53 134.86 54.45 Favored 'General case' 0 C--N 1.314 -0.936 0 CA-C-O 120.968 0.413 . . . . 74.24 110.239 175.38 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . 0.433 HG13 ' HB1' ' A' ' 117' ' ' ALA . 7.7 p -132.17 128.51 59.05 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.876 0 CA-C-N 115.814 -0.63 . . . . 72.13 109.89 176.152 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 20.6 tt0 -97.12 112.3 24.14 Favored 'General case' 0 C--N 1.314 -0.942 0 N-CA-C 109.523 -0.547 . . . . 64.25 109.523 178.634 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 59.3 t -123.07 123.6 68.29 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.891 0 CA-C-N 115.513 -0.767 . . . . 74.34 110.408 -175.591 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 20.0 t70 68.84 2.66 3.61 Favored 'General case' 0 CA--C 1.533 0.291 0 CA-C-N 115.782 -0.645 . . . . 70.22 111.222 175.132 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 116.35 -17.68 14.16 Favored Glycine 0 N--CA 1.449 -0.465 0 C-N-CA 121.095 -0.574 . . . . 62.42 111.921 -177.502 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' GLN . . . . . 0.415 ' HA ' ' NE2' ' A' ' 101' ' ' GLN . 13.9 mm-40 -97.56 138.66 34.64 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 120.819 0.342 . . . . 74.44 110.8 179.5 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . 0.527 ' HD3' ' HB2' ' A' ' 95' ' ' SER . 3.2 tmmm? -100.42 109.08 21.22 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 121.106 0.479 . . . . 74.1 109.774 -177.338 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' TYR . . . . . 0.421 ' CE1' ' HA ' ' A' ' 121' ' ' ALA . 67.5 m-85 -97.82 129.56 44.79 Favored 'General case' 0 C--N 1.315 -0.931 0 CA-C-N 115.561 -0.745 . . . . 74.23 109.844 -179.038 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . 0.478 ' CD1' ' HB3' ' A' ' 95' ' ' SER . 14.2 tp -106.8 136.29 46.87 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.096 -0.502 . . . . 73.02 110.166 -176.598 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -127.02 129.86 6.69 Favored Glycine 0 N--CA 1.447 -0.582 0 C-N-CA 120.931 -0.652 . . . . 74.03 111.719 -179.323 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . 0.451 ' HA ' ' O ' ' A' ' 92' ' ' PHE . 22.2 mt-30 -124.09 114.74 20.1 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-O 120.814 0.34 . . . . 73.43 110.73 -176.094 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -137.04 -171.8 12.31 Favored Glycine 0 N--CA 1.449 -0.469 0 CA-C-N 115.969 -0.559 . . . . 73.31 112.195 -177.399 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . 0.528 ' HD2' ' HB1' ' A' ' 89' ' ' ALA . 36.0 mmt180 -91.69 0.71 57.47 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.993 0.425 . . . . 75.44 111.315 -176.843 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 39.7 m -158.57 165.13 35.25 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 108.999 -0.741 . . . . 75.23 108.999 179.37 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 88.7 mttt -53.37 -43.22 67.63 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-O 121.245 0.545 . . . . 64.32 110.146 177.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 79.6 tttt -61.75 -53.13 60.19 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 114.909 -1.042 . . . . 75.12 111.176 -178.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 24.0 t -58.14 -49.4 81.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.045 -0.525 . . . . 75.12 110.704 -179.599 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -62.89 -37.71 88.02 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.97 -0.559 . . . . 72.14 111.5 -177.794 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 10.0 ttm180 -64.09 -50.53 67.96 Favored 'General case' 0 C--N 1.323 -0.543 0 CA-C-N 115.703 -0.68 . . . . 75.42 110.295 179.371 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 77.2 mt -56.24 -45.15 81.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 115.257 -0.883 . . . . 75.34 111.321 174.099 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -57.91 -45.21 86.85 Favored 'General case' 0 C--O 1.236 0.348 0 CA-C-O 120.783 0.325 . . . . 63.42 111.475 178.163 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . 0.433 ' HB1' HG13 ' A' ' 96' ' ' VAL . . . -61.32 -44.72 96.73 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.099 0.476 . . . . 73.54 110.631 178.776 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . 0.444 ' O ' ' HG ' ' A' ' 122' ' ' LEU . . . -67.82 -36.89 81.18 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.844 -0.616 . . . . 65.43 111.155 -179.616 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -62.67 -37.48 86.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.051 0.453 . . . . 74.23 110.495 178.687 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 29.6 m -64.0 -40.03 95.44 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.603 -0.726 . . . . 74.12 110.313 177.735 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . 0.421 ' HA ' ' CE1' ' A' ' 103' ' ' TYR . . . -64.92 -48.31 74.6 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.887 -0.597 . . . . 63.35 110.822 178.311 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . 0.444 ' HG ' ' O ' ' A' ' 118' ' ' ALA . 61.7 mt -57.78 -46.33 84.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.976 -0.556 . . . . 74.44 111.093 -178.922 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 123' ' ' ARG . . . . . 0.427 HH11 ' HD3' ' A' ' 123' ' ' ARG . 13.6 ptt180 -73.14 -10.91 60.28 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.426 -0.352 . . . . 75.34 111.162 -177.308 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 12.7 t -84.22 -26.3 28.81 Favored 'General case' 0 N--CA 1.449 -0.505 0 N-CA-C 109.647 -0.501 . . . . 72.34 109.647 174.619 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 28.9 m-85 -86.26 -60.46 2.0 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.969 -0.559 . . . . 75.41 110.169 178.47 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -128.5 -174.92 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 115.766 -0.652 . . . . 64.41 110.934 -173.731 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 127' ' ' GLN . . . . . 0.444 ' HB2' ' H ' ' A' ' 128' ' ' PHE . 4.0 pt20 -126.88 -146.86 0.34 Allowed 'General case' 0 C--N 1.318 -0.786 0 CA-C-N 115.794 -0.639 . . . . 71.02 110.498 178.864 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 128' ' ' PHE . . . . . 0.444 ' H ' ' HB2' ' A' ' 127' ' ' GLN . 61.3 m-85 70.58 81.9 0.16 Allowed 'General case' 0 N--CA 1.466 0.352 0 CA-C-O 121.561 0.696 . . . . 64.51 109.611 -174.811 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 51.9 mttm -98.26 120.69 39.11 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.326 -0.852 . . . . 75.32 111.465 -171.224 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -72.06 -55.37 7.49 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 109.667 -0.494 . . . . 73.12 109.667 174.077 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 80.48 10.04 85.76 Favored Glycine 0 N--CA 1.453 -0.201 0 C-N-CA 120.951 -0.642 . . . . 63.4 113.8 171.569 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -68.17 154.21 42.18 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 117.025 0.413 . . . . 72.45 110.98 178.659 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 45.3 t -84.64 96.15 4.5 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 CA-C-O 121.191 0.52 . . . . 72.23 110.537 -177.822 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 33.7 tp -92.83 -14.56 27.59 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.942 0.877 . . . . 71.32 109.678 175.776 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 58.1 m -163.92 161.59 16.8 Favored Pre-proline 0 C--N 1.31 -1.121 0 CA-C-N 114.17 -1.377 . . . . 73.22 108.751 -178.203 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 136' ' ' PRO . . . . . . . . . . . . . 30.8 Cg_endo -65.77 87.42 0.23 Allowed 'Trans proline' 0 C--O 1.235 0.371 0 C-N-CA 122.155 1.903 . . . . 74.13 111.536 174.795 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 3.9 pp -160.45 164.22 32.4 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.836 -0.62 . . . . 72.5 110.549 -177.89 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 138' ' ' LYS . . . . . 0.41 ' HA ' ' HD3' ' A' ' 139' ' ' PRO . 44.8 mmtm -120.0 110.32 36.59 Favored Pre-proline 0 C--N 1.323 -0.574 0 CA-C-N 116.288 -0.415 . . . . 72.42 110.105 176.823 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 139' ' ' PRO . . . . . 0.41 ' HD3' ' HA ' ' A' ' 138' ' ' LYS . 14.3 Cg_endo -83.87 128.84 4.58 Favored 'Trans proline' 0 N--CA 1.45 -1.03 0 C-N-CA 122.726 2.284 . . . . 74.2 112.093 -178.584 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.872 0 CA-C-O 118.622 -0.704 . . . . 73.22 110.1 178.045 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' SER . . . . . 0.533 ' O ' ' HD3' ' A' ' 50' ' ' PRO . 16.7 m . . . . . 0 N--CA 1.476 0.853 0 CA-C-O 120.7 0.286 . . . . 65.21 110.539 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -107.09 100.89 35.12 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 120.724 0.297 . . . . 75.34 111.611 -176.514 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . 0.533 ' HD3' ' O ' ' A' ' 48' ' ' SER . 5.3 Cg_endo -88.06 18.18 1.56 Allowed 'Trans proline' 0 N--CA 1.455 -0.792 0 C-N-CA 123.303 2.669 . . . . 63.51 111.167 174.479 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -69.71 143.99 52.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.752 -0.658 . . . . 72.32 110.415 -179.354 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.677 ' HE3' ' HA ' ' A' ' 52' ' ' LYS . 0.0 OUTLIER -130.31 42.42 3.26 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.883 -0.598 . . . . 64.34 110.514 179.782 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.409 ' O ' HG12 ' A' ' 77' ' ' ILE . 66.8 mttm -74.79 53.79 0.6 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.87 -0.605 . . . . 72.14 111.046 178.23 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 26.4 ptt? -91.27 150.64 21.24 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 120.95 0.405 . . . . 71.51 110.151 -178.672 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 61.2 m -87.86 100.22 12.71 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 116.063 -0.517 . . . . 73.21 110.262 -178.18 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 76.3 tttt -75.99 87.27 2.92 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 109.823 -0.436 . . . . 74.13 109.823 177.43 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -106.49 109.95 22.02 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.966 -0.561 . . . . 63.44 110.203 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 21.2 mmt180 -128.43 102.76 6.78 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.942 -0.572 . . . . 75.24 110.356 179.009 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 33.9 pt -118.64 156.28 51.6 Favored Pre-proline 0 C--N 1.32 -0.682 0 CA-C-N 115.823 -0.626 . . . . 73.21 109.868 178.265 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 19.7 Cg_exo -66.77 161.56 41.4 Favored 'Trans proline' 0 N--CA 1.464 -0.255 0 C-N-CA 122.711 2.274 . . . . 63.32 111.547 174.616 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . 0.784 ' HB3' ' HE2' ' A' ' 63' ' ' LYS . 18.1 mm-40 66.81 86.74 0.13 Allowed Pre-proline 0 N--CA 1.465 0.284 0 O-C-N 123.605 0.565 . . . . 73.33 111.137 179.89 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 6.6 Cg_exo -74.94 45.58 1.36 Allowed 'Trans proline' 0 CA--C 1.532 0.376 0 C-N-CA 123.398 2.732 . . . . 63.01 112.757 -179.18 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.784 ' HE2' ' HB3' ' A' ' 61' ' ' GLN . 47.0 mtmt -83.57 -17.38 41.94 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.376 0.608 . . . . 72.32 110.049 179.367 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . 0.577 ' ND2' ' HB ' ' A' ' 66' ' ' VAL . 20.3 p-10 -93.14 141.43 28.43 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.37 -0.832 . . . . 73.11 110.743 179.538 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 40.8 p -59.81 -23.53 63.41 Favored 'General case' 0 C--N 1.316 -0.876 0 CA-C-N 114.674 -1.148 . . . . 74.43 111.328 179.215 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.577 ' HB ' ' ND2' ' A' ' 64' ' ' ASN . 65.7 t -57.6 -49.19 81.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 115.398 -0.819 . . . . 71.44 110.872 176.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . 0.644 ' HA ' ' OD1' ' A' ' 70' ' ' ASN . . . -66.64 -32.41 73.72 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.079 0.466 . . . . 72.32 110.379 -179.786 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 78.7 mmm -60.71 -41.74 95.85 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.731 -0.668 . . . . 74.3 110.258 175.79 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.876 HD12 ' HH ' ' A' ' 78' ' ' TYR . 7.3 mt -64.14 -33.08 74.96 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.061 -0.518 . . . . 70.32 110.998 176.851 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . 0.644 ' OD1' ' HA ' ' A' ' 67' ' ' ALA . 12.1 m120 -62.45 -33.18 74.32 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.298 0.57 . . . . 74.22 109.949 -177.415 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -83.46 -24.51 31.78 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.173 -0.921 . . . . 74.51 110.759 -176.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 69.5 mt -85.85 -70.41 0.6 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.35 -0.386 . . . . 63.21 111.792 -177.107 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 7.0 mmm180 -133.21 141.27 47.98 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.64 -0.255 . . . . 74.02 110.619 -171.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 2.5 p-80 -94.57 176.88 6.12 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.483 -0.326 . . . . 72.45 110.141 175.657 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 85.76 9.12 78.68 Favored Glycine 0 N--CA 1.448 -0.511 0 C-N-CA 120.777 -0.725 . . . . 63.12 111.534 -177.117 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.756 ' H ' HD23 ' A' ' 76' ' ' LEU . 1.9 pt? -77.1 120.61 22.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.386 0.613 . . . . 72.13 111.152 -178.066 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . 0.697 ' O ' ' HA ' ' A' ' 96' ' ' VAL . 2.9 mt -114.37 111.28 35.27 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-N 115.911 -0.586 . . . . 71.24 110.784 179.52 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . 0.876 ' HH ' HD12 ' A' ' 69' ' ' LEU . 98.8 m-85 -89.88 110.6 21.54 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.836 0.351 . . . . 74.11 110.086 174.525 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 38.8 pttt -132.91 130.14 39.26 Favored 'General case' 0 C--N 1.316 -0.875 0 CA-C-N 116.251 -0.431 . . . . 64.21 110.806 -179.21 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.527 HD23 ' HB2' ' A' ' 83' ' ' GLN . 28.2 tp -72.22 107.13 4.7 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 109.218 -0.66 . . . . 75.54 109.218 175.721 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -91.09 -22.26 20.81 Favored 'General case' 0 C--N 1.319 -0.721 0 C-N-CA 120.479 -0.488 . . . . 75.13 111.253 -176.82 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 49.2 m -151.95 141.73 21.92 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.724 -0.216 . . . . 74.35 110.64 179.35 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . 0.527 ' HB2' HD23 ' A' ' 80' ' ' LEU . 0.5 OUTLIER -135.64 104.82 5.93 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 109.405 -0.591 . . . . 74.15 109.405 177.499 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 3.6 p -135.52 -163.88 1.46 Allowed 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.695 -0.684 . . . . 71.14 110.527 -176.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 104.19 -174.43 22.2 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.898 -0.668 . . . . 41.1 112.99 171.08 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 59.1 Cg_endo -72.25 -178.58 3.35 Favored 'Trans proline' 0 N--CA 1.462 -0.327 0 C-N-CA 122.752 2.302 . . . . 74.4 111.824 177.11 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 13.4 p -95.98 -23.91 4.77 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 C-N-CA 120.535 -0.466 . . . . 62.24 110.553 179.212 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 36.5 p-80 -75.45 -25.54 57.54 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-O 120.801 0.334 . . . . 75.41 110.364 178.036 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -162.08 75.98 2.2 Favored Pre-proline 0 CA--C 1.518 -0.286 0 CA-C-N 116.151 -0.477 . . . . 74.11 110.168 -178.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . 0.558 ' O ' ' HA ' ' A' ' 108' ' ' ARG . 6.6 Cg_exo -64.13 151.23 86.21 Favored 'Trans proline' 0 N--CA 1.453 -0.907 0 C-N-CA 121.86 1.706 . . . . 70.22 111.971 -176.769 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -95.17 115.2 27.12 Favored 'General case' 0 N--CA 1.441 -0.917 0 N-CA-C 109.071 -0.715 . . . . 74.25 109.071 -179.537 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . 0.411 ' O ' ' HA ' ' A' ' 106' ' ' GLN . 17.4 m-85 -101.95 132.15 47.93 Favored 'General case' 0 C--N 1.311 -1.072 0 CA-C-N 115.38 -0.827 . . . . 75.21 108.991 179.211 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 23.7 m -113.63 96.99 6.15 Favored 'General case' 0 N--CA 1.442 -0.867 0 CA-C-O 121.035 0.445 . . . . 74.14 109.988 -177.563 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . 0.54 HG23 ' HA ' ' A' ' 114' ' ' ARG . 7.1 mm -95.07 127.77 46.77 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.862 0 CA-C-N 115.56 -0.746 . . . . 73.34 109.348 179.39 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' SER . . . . . 0.505 ' HB2' ' HD3' ' A' ' 102' ' ' LYS . 19.0 p -107.42 121.91 45.54 Favored 'General case' 0 C--N 1.306 -1.306 0 CA-C-N 115.453 -0.794 . . . . 72.44 109.344 177.747 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . 0.697 ' HA ' ' O ' ' A' ' 77' ' ' ILE . 9.6 p -113.6 115.79 50.73 Favored 'Isoleucine or valine' 0 N--CA 1.439 -0.983 0 CA-C-O 121.821 0.82 . . . . 74.15 109.876 175.559 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . 0.54 ' HA ' ' HA ' ' A' ' 102' ' ' LYS . 5.4 tt0 -92.37 110.11 21.51 Favored 'General case' 0 C--N 1.307 -1.27 0 CA-C-N 115.336 -0.847 . . . . 74.41 109.391 -179.82 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 24.6 t -119.22 123.62 71.64 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.684 0 CA-C-N 115.493 -0.776 . . . . 71.24 110.491 -174.444 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 1.2 t70 59.72 17.29 6.2 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.468 -0.787 . . . . 71.11 111.402 178.896 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 104.92 -12.17 49.41 Favored Glycine 0 N--CA 1.449 -0.452 0 C-N-CA 121.007 -0.616 . . . . 75.13 112.685 -179.203 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' GLN . . . . . 0.441 ' HB3' ' CE2' ' A' ' 103' ' ' TYR . 3.4 tp60 -100.44 124.91 46.58 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 109.766 -0.457 . . . . 63.23 109.766 -179.781 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . 0.54 ' HA ' ' HA ' ' A' ' 97' ' ' GLU . 5.2 tmmm? -88.44 109.26 19.88 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 121.119 0.485 . . . . 73.55 110.656 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' TYR . . . . . 0.441 ' CE2' ' HB3' ' A' ' 101' ' ' GLN . 86.2 m-85 -95.55 135.25 37.45 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.482 -0.781 . . . . 74.32 109.563 178.055 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 12.1 tp -105.32 137.03 43.77 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 120.995 0.426 . . . . 73.31 111.031 -175.441 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . 0.508 ' HA3' ' N ' ' A' ' 117' ' ' ALA . . . -131.6 129.26 5.61 Favored Glycine 0 N--CA 1.445 -0.717 0 N-CA-C 111.415 -0.674 . . . . 53.41 111.415 178.055 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . 0.411 ' HA ' ' O ' ' A' ' 92' ' ' PHE . 25.9 mt-30 -120.46 116.13 24.83 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-O 120.911 0.386 . . . . 54.34 110.797 -175.038 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -133.67 -169.22 12.04 Favored Glycine 0 N--CA 1.446 -0.672 0 CA-C-N 115.697 -0.683 . . . . 71.43 111.792 -177.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . 0.558 ' HA ' ' O ' ' A' ' 90' ' ' PRO . 11.1 mmt180 -100.5 6.13 44.24 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.275 0.56 . . . . 73.23 110.866 -176.932 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' SER . . . . . 0.435 ' HB2' HG23 ' A' ' 112' ' ' VAL . 16.0 m -159.56 163.71 34.89 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 108.169 -1.049 . . . . 63.52 108.169 176.455 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 86.8 mttt -57.06 -41.15 78.23 Favored 'General case' 0 C--N 1.331 -0.222 0 N-CA-C 109.405 -0.591 . . . . 75.53 109.405 174.89 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 72.1 tttt -55.36 -53.53 55.0 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-N 114.982 -1.008 . . . . 72.55 110.544 177.859 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . 0.702 ' O ' ' HG2' ' A' ' 116' ' ' GLU . 24.6 t -62.17 -55.57 23.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 115.278 -0.874 . . . . 74.23 110.532 -178.946 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -56.68 -36.65 69.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.863 -0.608 . . . . 74.32 111.859 -175.405 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' ARG . . . . . 0.54 ' HA ' HG23 ' A' ' 94' ' ' ILE . 34.9 ttp180 -61.2 -48.07 83.22 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.956 -0.565 . . . . 74.11 110.227 178.294 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 69.4 mt -62.4 -46.41 96.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 115.452 -0.795 . . . . 72.13 111.402 175.238 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . 0.702 ' HG2' ' O ' ' A' ' 112' ' ' VAL . 12.8 mm-40 -60.08 -36.59 77.72 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.975 0.417 . . . . 75.11 111.34 -179.512 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . 0.508 ' N ' ' HA3' ' A' ' 105' ' ' GLY . . . -63.04 -49.48 74.41 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.844 -0.617 . . . . 73.21 110.653 176.757 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . 0.511 ' O ' ' HG ' ' A' ' 122' ' ' LEU . . . -63.7 -31.96 73.29 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.373 -0.83 . . . . 72.12 110.922 179.58 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -60.82 -41.51 95.86 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.159 -0.473 . . . . 54.12 110.818 177.832 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 120' ' ' THR . . . . . 0.741 ' HA ' ' HE ' ' A' ' 123' ' ' ARG . 85.8 m -68.33 -38.62 81.72 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.034 0.445 . . . . 74.34 110.586 177.787 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -57.88 -50.51 73.08 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.937 -0.574 . . . . 72.41 110.859 177.009 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . 0.511 ' HG ' ' O ' ' A' ' 118' ' ' ALA . 75.8 mt -56.41 -52.62 63.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.994 -0.548 . . . . 75.53 111.089 -179.193 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 123' ' ' ARG . . . . . 0.741 ' HE ' ' HA ' ' A' ' 120' ' ' THR . 14.2 ptt180 -70.14 -6.26 32.91 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.266 -0.424 . . . . 65.44 111.862 -175.361 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -94.41 -21.24 19.06 Favored 'General case' 0 N--CA 1.448 -0.563 0 N-CA-C 109.658 -0.497 . . . . 74.12 109.658 175.488 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 28.7 m-85 -85.43 -44.54 12.66 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 63.4 110.455 177.753 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 126' ' ' ILE . . . . . 0.492 HD13 ' O ' ' A' ' 122' ' ' LEU . 0.2 OUTLIER -128.18 145.95 34.49 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-O 121.131 0.491 . . . . 72.35 110.327 176.826 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 9.1 mm-40 -123.13 142.13 51.22 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 115.728 -0.669 . . . . 74.03 110.607 178.658 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 128' ' ' PHE . . . . . 0.401 ' O ' ' HB3' ' A' ' 129' ' ' LYS . 38.0 m-85 -97.66 -79.28 0.47 Allowed 'General case' 0 C--N 1.319 -0.738 0 N-CA-C 108.948 -0.76 . . . . 74.01 108.948 178.217 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . 0.401 ' HB3' ' O ' ' A' ' 128' ' ' PHE . 9.3 ptpp? 175.7 146.79 0.08 Allowed 'General case' 0 CA--C 1.519 -0.241 0 CA-C-N 115.611 -0.722 . . . . 74.1 109.808 173.887 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -97.32 -31.53 12.36 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 108.817 -0.808 . . . . 75.14 108.817 175.263 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 83.88 -33.03 3.13 Favored Glycine 0 N--CA 1.449 -0.49 0 CA-C-N 115.461 -0.791 . . . . 72.24 111.956 -179.37 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -97.55 143.24 28.44 Favored 'General case' 0 N--CA 1.445 -0.707 0 N-CA-C 110.006 -0.368 . . . . 74.42 110.006 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 24.2 m -86.4 134.44 27.37 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 CA-C-O 121.099 0.476 . . . . 74.43 110.8 -179.154 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -111.1 95.76 5.73 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.888 -0.596 . . . . 74.45 110.162 178.271 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 1.1 m -77.63 118.55 72.78 Favored Pre-proline 0 C--N 1.321 -0.638 0 CA-C-N 115.662 -0.699 . . . . 61.01 110.51 -175.317 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 136' ' ' PRO . . . . . . . . . . . . . 16.5 Cg_exo -68.32 101.38 0.72 Allowed 'Trans proline' 0 C--O 1.235 0.343 0 C-N-CA 122.595 2.196 . . . . 75.43 111.016 174.678 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 53.7 mt -126.25 169.27 13.05 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.159 -0.473 . . . . 74.13 110.113 -175.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 138' ' ' LYS . . . . . 0.692 ' HB3' ' HD3' ' A' ' 139' ' ' PRO . 3.9 tmtp? -92.92 -56.44 0.24 Allowed Pre-proline 0 C--N 1.322 -0.591 0 N-CA-C 109.757 -0.46 . . . . 75.21 109.757 175.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 139' ' ' PRO . . . . . 0.692 ' HD3' ' HB3' ' A' ' 138' ' ' LYS . 84.2 Cg_endo -90.56 54.57 1.2 Allowed 'Trans proline' 0 C--N 1.353 0.808 0 C-N-CA 122.204 1.936 . . . . 63.53 111.355 175.159 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.073 0 CA-C-N 115.529 -0.76 . . . . 65.3 111.046 -176.793 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 28.8 m . . . . . 0 N--CA 1.476 0.843 0 CA-C-O 120.555 0.217 . . . . 43.15 111.183 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . 0.481 ' OD2' ' HB2' ' A' ' 51' ' ' LYS . 7.6 p-10 -153.49 164.24 21.14 Favored Pre-proline 0 C--N 1.329 -0.292 0 N-CA-C 109.76 -0.459 . . . . 61.3 109.76 -177.174 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo -53.25 -73.09 0.04 OUTLIER 'Trans proline' 0 C--N 1.35 0.631 0 C-N-CA 122.525 2.15 . . . . 75.32 111.907 177.863 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.481 ' HB2' ' OD2' ' A' ' 49' ' ' ASP . 1.7 tppp? 64.18 1.83 1.32 Allowed 'General case' 0 N--CA 1.47 0.571 0 N-CA-C 112.571 0.582 . . . . 75.22 112.571 172.368 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 2.9 ptpp? -92.28 77.72 5.17 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.394 0.616 . . . . 71.33 111.241 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 24.1 ttmm -90.62 126.06 35.84 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 108.643 -0.873 . . . . 62.42 108.643 173.854 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 52.4 ttm -54.31 -37.91 65.35 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.043 0.449 . . . . 73.32 111.466 -175.652 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 19.3 p -170.21 149.82 3.54 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.916 -0.584 . . . . 70.24 109.44 178.729 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 11.1 mptt -81.51 92.24 6.46 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 109.086 -0.709 . . . . 75.35 109.086 174.717 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -74.52 100.01 3.76 Favored 'General case' 0 N--CA 1.446 -0.668 0 N-CA-C 109.676 -0.49 . . . . 70.4 109.676 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 40.0 ttt180 -66.3 110.08 2.92 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.202 -0.908 . . . . 72.25 111.117 -177.134 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 35.5 pt -100.71 128.95 28.65 Favored Pre-proline 0 C--N 1.322 -0.618 0 CA-C-N 115.894 -0.594 . . . . 75.44 110.807 -179.635 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 7.7 Cg_exo -73.33 -33.7 6.81 Favored 'Trans proline' 0 C--O 1.234 0.276 0 C-N-CA 122.584 2.19 . . . . 72.12 111.282 176.294 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . 0.415 ' CD ' ' HD2' ' A' ' 62' ' ' PRO . 55.3 tp60 -164.97 129.31 1.81 Allowed Pre-proline 0 C--N 1.324 -0.523 0 CA-C-N 115.214 -0.903 . . . . 60.22 108.941 -178.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . 0.46 ' HA ' ' HB2' ' A' ' 67' ' ' ALA . 58.3 Cg_endo -72.01 41.13 0.46 Allowed 'Trans proline' 0 CA--C 1.533 0.449 0 C-N-CA 122.707 2.271 . . . . 71.22 112.708 178.023 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.627 ' HB2' ' HZ2' ' A' ' 63' ' ' LYS . 0.1 OUTLIER -78.58 -21.73 48.18 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.202 0.525 . . . . 75.21 109.712 178.288 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 25.3 p-10 -90.61 140.34 29.85 Favored 'General case' 0 CA--C 1.511 -0.547 0 N-CA-C 108.924 -0.769 . . . . 73.33 108.924 171.785 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 41.5 p -64.07 -21.97 66.74 Favored 'General case' 0 C--N 1.311 -1.084 0 CA-C-N 114.991 -1.004 . . . . 74.31 111.436 -175.491 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 38.6 t -59.04 -46.69 91.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 115.653 -0.703 . . . . 73.35 110.471 177.812 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . 0.46 ' HB2' ' HA ' ' A' ' 62' ' ' PRO . . . -66.89 -38.72 86.79 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.737 -0.665 . . . . 72.04 110.26 178.403 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' MET . . . . . 0.452 ' HB2' HD12 ' A' ' 122' ' ' LEU . 85.1 mmm -58.64 -44.01 89.93 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.576 -0.738 . . . . 73.53 111.053 178.686 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.731 ' HB3' HD13 ' A' ' 76' ' ' LEU . 1.0 OUTLIER -62.22 -35.64 79.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.98 -0.554 . . . . 73.52 111.245 -179.368 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . 0.437 ' ND2' HD12 ' A' ' 76' ' ' LEU . 22.8 m-80 -70.07 -22.69 63.03 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.284 0.564 . . . . 64.51 110.357 -178.768 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -81.13 -34.47 32.49 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.587 -0.733 . . . . 62.25 110.349 178.191 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 67.8 mt -81.4 -59.95 2.45 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.904 -0.589 . . . . 74.32 111.572 -177.584 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 27.2 mmm180 -129.85 164.98 22.95 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 110.219 -0.289 . . . . 74.12 110.219 -174.254 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 12.6 p-80 -119.78 164.37 16.08 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 109.541 -0.54 . . . . 74.43 109.541 175.217 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 85.79 31.53 20.79 Favored Glycine 0 N--CA 1.442 -0.937 0 C-N-CA 120.38 -0.914 . . . . 70.12 111.08 -177.755 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.768 ' H ' HD23 ' A' ' 76' ' ' LEU . 1.3 pt? -98.06 101.67 13.21 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.203 0.525 . . . . 75.33 110.397 -179.518 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 4.6 mp -102.01 110.8 29.71 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 CA-C-N 116.254 -0.43 . . . . 74.24 110.551 -178.349 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . 0.46 ' HH ' HD11 ' A' ' 69' ' ' LEU . 81.5 m-85 -86.22 129.3 34.89 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.286 -0.416 . . . . 74.21 109.902 176.133 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 13.8 ptpt -139.91 147.21 40.25 Favored 'General case' 0 C--N 1.32 -0.716 0 N-CA-C 110.008 -0.368 . . . . 75.23 110.008 179.224 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.473 HD21 ' HE2' ' A' ' 110' ' ' LYS . 44.9 tp -86.06 104.63 15.83 Favored 'General case' 0 C--N 1.319 -0.738 0 N-CA-C 109.327 -0.62 . . . . 74.13 109.327 175.677 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -90.39 -23.29 21.11 Favored 'General case' 0 C--N 1.325 -0.486 0 C-N-CA 120.187 -0.605 . . . . 74.3 111.71 -176.235 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 48.8 m -153.56 143.87 22.31 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.732 0.301 . . . . 73.51 110.829 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 22.1 tm0? -146.32 111.24 5.29 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 109.406 -0.59 . . . . 75.14 109.406 177.251 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 18.5 p -144.26 146.57 32.73 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.197 -0.456 . . . . 65.31 110.755 -178.404 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 137.05 -179.99 17.41 Favored Glycine 0 N--CA 1.448 -0.525 0 C-N-CA 120.177 -1.011 . . . . 61.42 113.3 173.376 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 40.0 Cg_endo -67.81 -178.2 1.54 Allowed 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 123.208 2.605 . . . . 74.1 112.336 177.467 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 7.6 p -89.33 -30.97 5.25 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-O 120.832 0.348 . . . . 74.0 111.115 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 32.3 p-80 -72.89 -28.08 62.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.048 0.452 . . . . 75.01 110.246 179.373 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -148.68 75.01 10.27 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-N 115.841 -0.618 . . . . 72.25 110.597 178.367 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . 0.576 ' O ' ' HA ' ' A' ' 108' ' ' ARG . 1.8 Cg_endo -78.5 134.56 12.54 Favored 'Trans proline' 0 N--CA 1.454 -0.798 0 C-N-CA 122.443 2.095 . . . . 74.53 111.087 177.932 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.414 HD11 ' NE2' ' A' ' 106' ' ' GLN . 3.2 tm? -92.63 113.89 26.3 Favored 'General case' 0 C--N 1.315 -0.909 0 CA-C-O 121.519 0.676 . . . . 70.53 109.997 -178.334 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . 0.481 ' CE1' ' HB2' ' A' ' 90' ' ' PRO . 26.2 m-85 -100.85 134.34 43.97 Favored 'General case' 0 C--N 1.315 -0.911 0 CA-C-N 114.996 -1.002 . . . . 74.15 109.252 177.861 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' THR . . . . . 0.412 HG22 HD13 ' A' ' 104' ' ' LEU . 13.8 m -117.54 98.67 6.51 Favored 'General case' 0 N--CA 1.443 -0.823 0 N-CA-C 109.898 -0.408 . . . . 75.32 109.898 -178.297 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . 0.441 HG21 ' HA ' ' A' ' 114' ' ' ARG . 7.5 mm -96.3 128.78 47.18 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.757 0 CA-C-N 115.684 -0.689 . . . . 73.4 109.927 -179.226 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' SER . . . . . 0.547 ' HB2' ' HD3' ' A' ' 102' ' ' LYS . 1.9 p -109.4 130.09 55.51 Favored 'General case' 0 C--N 1.311 -1.098 0 CA-C-N 115.664 -0.698 . . . . 74.52 110.382 177.827 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . 0.465 HG11 ' HB2' ' A' ' 117' ' ' ALA . 7.7 p -122.96 124.93 71.43 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.843 0 CA-C-O 121.284 0.564 . . . . 72.02 109.939 176.642 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 7.4 tt0 -97.29 111.72 23.84 Favored 'General case' 0 C--N 1.313 -0.981 0 CA-C-N 115.915 -0.584 . . . . 75.52 109.499 -178.857 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 38.2 t -124.64 125.37 69.92 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 CA-C-N 115.941 -0.572 . . . . 72.34 110.605 -174.88 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 12.9 t70 61.21 7.47 1.66 Allowed 'General case' 0 N--CA 1.47 0.537 0 CA-C-N 115.649 -0.705 . . . . 74.12 111.895 178.676 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 113.55 -13.09 23.06 Favored Glycine 0 N--CA 1.447 -0.573 0 C-N-CA 120.732 -0.747 . . . . 74.13 112.317 -179.045 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' GLN . . . . . 0.522 ' HB3' ' CE2' ' A' ' 103' ' ' TYR . 8.7 tp60 -96.89 133.79 41.07 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 109.205 -0.665 . . . . 75.44 109.205 179.449 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . 0.547 ' HD3' ' HB2' ' A' ' 95' ' ' SER . 0.8 OUTLIER -96.62 106.2 18.43 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 121.205 0.526 . . . . 74.01 109.911 179.765 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' TYR . . . . . 0.522 ' CE2' ' HB3' ' A' ' 101' ' ' GLN . 86.8 m-85 -92.4 151.6 20.16 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.563 -0.744 . . . . 75.54 110.222 -178.799 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . 0.412 HD13 HG22 ' A' ' 93' ' ' THR . 12.2 tp -123.16 139.16 54.35 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 120.881 0.372 . . . . 73.32 111.147 -175.03 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . 0.434 ' HA3' ' N ' ' A' ' 117' ' ' ALA . . . -133.87 133.26 6.81 Favored Glycine 0 N--CA 1.445 -0.743 0 N-CA-C 111.554 -0.618 . . . . 73.34 111.554 177.422 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . 0.448 ' HA ' ' O ' ' A' ' 92' ' ' PHE . 25.5 mt-30 -124.19 124.07 41.65 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 120.951 0.405 . . . . 73.42 110.96 -175.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -144.72 -179.75 21.32 Favored Glycine 0 C--O 1.227 -0.286 0 N-CA-C 111.022 -0.831 . . . . 72.42 111.022 -179.738 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . 0.576 ' HA ' ' O ' ' A' ' 90' ' ' PRO . 38.6 mmt-85 -83.76 4.53 28.55 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-N 117.539 0.669 . . . . 74.03 110.668 -179.048 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 67.1 m -160.83 161.33 31.89 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 109.406 -0.59 . . . . 65.34 109.406 -179.885 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . 0.473 ' HE2' HD21 ' A' ' 80' ' ' LEU . 97.0 mttt -54.02 -41.56 68.14 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-O 120.787 0.327 . . . . 71.32 110.466 177.074 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 81.0 tttt -54.64 -56.24 21.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.557 -0.747 . . . . 75.42 111.098 -179.776 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 48.0 t -65.19 -44.69 95.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 115.917 -0.583 . . . . 75.31 110.935 -178.094 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -61.43 -37.07 82.18 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.179 -0.464 . . . . 74.11 111.065 -178.477 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' ARG . . . . . 0.441 ' HA ' HG21 ' A' ' 94' ' ' ILE . 26.3 ttm180 -64.79 -46.28 82.72 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.968 -0.56 . . . . 72.31 110.296 178.658 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 82.6 mt -61.43 -48.75 87.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 115.567 -0.742 . . . . 75.32 110.882 177.007 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 14.1 mm-40 -59.92 -36.79 77.76 Favored 'General case' 0 C--N 1.321 -0.639 0 O-C-N 122.186 -0.321 . . . . 73.12 111.43 178.86 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . 0.465 ' HB2' HG11 ' A' ' 96' ' ' VAL . . . -61.51 -48.5 80.76 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.123 0.487 . . . . 64.42 110.275 176.038 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . 0.45 ' O ' ' HG ' ' A' ' 122' ' ' LEU . . . -66.47 -36.27 82.34 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.559 -0.746 . . . . 75.45 111.384 179.731 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -61.88 -38.39 88.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 74.04 110.441 178.62 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 22.8 m -64.01 -38.47 91.2 Favored 'General case' 0 N--CA 1.45 -0.436 0 CA-C-N 115.757 -0.656 . . . . 71.25 110.337 178.352 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -67.09 -47.35 71.49 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.084 -0.507 . . . . 72.4 110.716 177.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . 0.452 HD12 ' HB2' ' A' ' 68' ' ' MET . 42.6 mt -55.64 -49.65 72.3 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-N 116.179 -0.464 . . . . 74.13 111.089 -179.711 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 12.9 ptm180 -71.77 -13.14 61.62 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.907 -0.588 . . . . 74.2 111.53 -175.315 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 52.5 m -81.16 -29.91 34.56 Favored 'General case' 0 N--CA 1.438 -1.066 0 CA-C-O 121.043 0.449 . . . . 72.32 110.549 174.829 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 20.6 m-85 -81.6 -55.69 4.49 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.805 -0.634 . . . . 70.53 110.063 -178.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -130.3 159.14 42.6 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.409 0 CA-C-O 121.333 0.587 . . . . 71.12 110.96 -177.811 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 127' ' ' GLN . . . . . 0.428 ' HG3' ' H ' ' A' ' 129' ' ' LYS . 8.6 tp-100 -139.27 146.05 39.92 Favored 'General case' 0 C--N 1.315 -0.912 0 CA-C-N 115.342 -0.845 . . . . 72.24 109.463 -178.873 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 68.3 m-85 -109.6 25.64 11.56 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.283 0.563 . . . . 73.11 110.49 -175.224 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . 0.49 ' HA ' ' HE3' ' A' ' 129' ' ' LYS . 0.0 OUTLIER -139.96 -72.51 0.37 Allowed 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.597 -0.728 . . . . 71.11 110.085 -179.305 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 60.37 25.48 15.01 Favored 'General case' 0 N--CA 1.467 0.411 0 CA-C-N 115.608 -0.724 . . . . 44.21 111.72 178.351 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . -80.66 55.67 4.71 Favored Glycine 0 N--CA 1.449 -0.473 0 N-CA-C 111.27 -0.732 . . . . 54.43 111.27 176.108 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -106.32 164.71 11.81 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 120.946 0.403 . . . . 74.41 110.885 -175.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 9.9 p -95.23 10.9 4.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-O 122.342 1.068 . . . . 74.54 109.68 178.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 47.8 tp -120.29 122.09 40.09 Favored 'General case' 0 C--N 1.315 -0.901 0 CA-C-N 114.575 -1.193 . . . . 72.04 110.482 -176.528 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 41.4 m -77.07 159.23 78.77 Favored Pre-proline 0 C--N 1.319 -0.756 0 CA-C-N 115.826 -0.625 . . . . 74.33 109.883 175.307 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 136' ' ' PRO . . . . . . . . . . . . . 22.6 Cg_exo -64.67 84.49 0.17 Allowed 'Trans proline' 0 C--N 1.347 0.451 0 C-N-CA 122.507 2.138 . . . . 72.13 111.542 175.87 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 87.0 mt -77.37 85.95 3.77 Favored 'General case' 0 N--CA 1.452 -0.356 0 CA-C-O 121.221 0.534 . . . . 74.2 110.759 -177.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 138' ' ' LYS . . . . . 0.778 ' HZ2' ' HB2' ' A' ' 138' ' ' LYS . 0.0 OUTLIER -90.54 116.86 67.35 Favored Pre-proline 0 C--N 1.32 -0.706 0 CA-C-N 115.678 -0.692 . . . . 73.23 110.245 177.93 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 27.4 Cg_endo -65.04 -47.02 5.18 Favored 'Trans proline' 0 N--CA 1.464 -0.246 0 C-N-CA 122.47 2.113 . . . . 74.42 112.08 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.0 0 CA-C-O 118.438 -0.791 . . . . 53.45 110.256 179.128 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 20.2 m . . . . . 0 N--CA 1.478 0.931 0 CA-C-O 121.269 0.556 . . . . 74.43 110.401 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 18.8 p-10 -109.1 148.89 38.87 Favored Pre-proline 0 C--N 1.323 -0.568 0 CA-C-N 115.752 -0.658 . . . . 72.3 110.114 -178.884 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 88.6 Cg_endo -80.43 -172.72 1.6 Allowed 'Trans proline' 0 N--CA 1.462 -0.33 0 C-N-CA 122.545 2.163 . . . . 61.43 112.257 -178.692 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -76.88 65.76 2.63 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.638 0.732 . . . . 74.13 109.799 174.881 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 57.6 tptt -85.09 -26.13 27.12 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 114.697 -1.138 . . . . 73.43 109.719 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 11.1 ptmm? -121.44 124.14 43.77 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.231 -0.895 . . . . 72.4 110.448 -176.642 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' MET . . . . . 0.417 ' HE2' ' HB3' ' A' ' 57' ' ' GLU . 26.4 ptm -138.35 154.17 48.96 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.125 -0.489 . . . . 65.21 110.214 179.741 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 51.3 t -126.14 -40.82 1.97 Allowed 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.3 -0.409 . . . . 75.31 110.542 -178.613 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 58.1 tttp -96.41 132.79 41.58 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.111 -0.495 . . . . 73.12 110.085 178.463 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.417 ' HB3' ' HE2' ' A' ' 54' ' ' MET . 12.8 pt-20 -143.38 -176.6 5.01 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 116.263 -0.426 . . . . 73.2 110.059 -179.294 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.461 ' O ' ' HD3' ' A' ' 60' ' ' PRO . 36.8 mtm180 -122.74 128.34 50.39 Favored 'General case' 0 C--N 1.32 -0.713 0 N-CA-C 110.029 -0.36 . . . . 73.02 110.029 179.354 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 56.0 mt -114.08 87.67 13.44 Favored Pre-proline 0 C--N 1.323 -0.55 0 CA-C-N 116.251 -0.431 . . . . 75.31 110.265 178.402 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . 0.461 ' HD3' ' O ' ' A' ' 58' ' ' ARG . 1.9 Cg_endo -82.83 -49.56 0.04 OUTLIER 'Trans proline' 0 N--CA 1.458 -0.605 0 C-N-CA 123.005 2.47 . . . . 75.21 111.753 176.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . 0.453 ' HA ' ' HD3' ' A' ' 62' ' ' PRO . 16.4 mm100 -113.49 149.31 41.39 Favored Pre-proline 0 C--N 1.323 -0.552 0 CA-C-N 115.628 -0.714 . . . . 75.21 110.485 -178.916 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . 0.453 ' HD3' ' HA ' ' A' ' 61' ' ' GLN . 10.0 Cg_exo -72.6 52.5 2.06 Favored 'Trans proline' 0 CA--C 1.531 0.343 0 C-N-CA 123.364 2.71 . . . . 75.3 112.464 178.904 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.756 ' HA ' ' HE3' ' A' ' 63' ' ' LYS . 0.8 OUTLIER -79.38 -23.58 43.22 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.279 0.562 . . . . 73.43 110.02 177.985 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . 0.408 ' OD1' ' HB2' ' A' ' 67' ' ' ALA . 17.8 p30 -92.3 150.85 20.61 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.81 0.814 . . . . 72.11 110.821 177.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' THR . . . . . 0.508 ' HA ' ' HG3' ' A' ' 68' ' ' MET . 23.2 p -66.48 -25.08 66.53 Favored 'General case' 0 C--N 1.312 -1.045 0 CA-C-N 114.697 -1.138 . . . . 64.14 111.14 -179.686 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.447 HG12 ' HD2' ' A' ' 114' ' ' ARG . 4.1 m -66.65 -32.16 56.79 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-N 116.04 -0.527 . . . . 71.51 110.696 -178.931 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . 0.408 ' HB2' ' OD1' ' A' ' 64' ' ' ASN . . . -76.0 -33.44 59.7 Favored 'General case' 0 N--CA 1.449 -0.477 0 N-CA-C 109.882 -0.414 . . . . 51.55 109.882 177.557 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' MET . . . . . 0.508 ' HG3' ' HA ' ' A' ' 65' ' ' THR . 21.6 mtp -63.52 -35.29 80.0 Favored 'General case' 0 C--N 1.332 -0.177 0 N-CA-C 109.707 -0.479 . . . . 64.3 109.707 176.697 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.739 HD11 ' HH ' ' A' ' 78' ' ' TYR . 6.2 mt -63.94 -38.88 92.7 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.072 -0.513 . . . . 74.55 110.967 175.649 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 28.6 m-80 -68.73 -20.94 64.41 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-O 121.381 0.61 . . . . 74.21 110.417 -179.253 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 27.7 mm-40 -80.04 -26.58 39.69 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.393 -0.821 . . . . 74.41 110.392 175.527 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.403 ' HG ' ' O ' ' A' ' 68' ' ' MET . 86.1 mt -95.82 -68.51 0.8 Allowed 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.753 -0.658 . . . . 72.25 111.537 -175.135 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 31.0 mmm180 -133.61 137.47 45.45 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.215 -0.448 . . . . 74.33 110.94 -170.618 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 2.1 p-80 -88.21 174.54 8.15 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 110.042 -0.355 . . . . 72.2 110.042 175.446 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 79.52 32.66 37.16 Favored Glycine 0 N--CA 1.446 -0.693 0 C-N-CA 120.326 -0.94 . . . . 72.14 111.676 -178.432 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.747 ' H ' HD23 ' A' ' 76' ' ' LEU . 1.1 pt? -95.22 89.95 5.69 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.469 0.652 . . . . 74.15 110.344 179.842 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . 0.464 ' O ' ' HA ' ' A' ' 96' ' ' VAL . 4.3 mp -92.48 105.94 17.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 116.066 -0.515 . . . . 62.45 110.839 -177.788 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . 0.739 ' HH ' HD11 ' A' ' 69' ' ' LEU . 92.1 m-85 -84.9 142.12 29.93 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 109.546 -0.539 . . . . 74.45 109.546 174.462 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 7.3 ptpp? -154.52 141.26 19.04 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 110.238 -0.282 . . . . 74.11 110.238 177.197 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.436 HD23 ' HE2' ' A' ' 110' ' ' LYS . 45.0 tp -80.15 99.39 7.75 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 109.243 -0.651 . . . . 75.11 109.243 175.88 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 2.6 pt-20 -87.79 -33.31 18.69 Favored 'General case' 0 C--N 1.323 -0.578 0 C-N-CA 120.701 -0.399 . . . . 73.14 111.12 -176.55 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' SER . . . . . 0.526 ' HB2' ' HB ' ' A' ' 93' ' ' THR . 18.1 m -139.07 142.2 38.18 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.309 -0.405 . . . . 75.3 110.261 -177.08 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 22.3 tm0? -149.07 112.17 4.91 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 109.53 -0.544 . . . . 71.12 109.53 177.003 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 24.4 p -141.53 160.03 41.0 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.124 -0.489 . . . . 72.13 110.794 -177.509 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 124.35 -179.96 15.96 Favored Glycine 0 N--CA 1.45 -0.431 0 C-N-CA 120.607 -0.806 . . . . 75.31 112.473 173.901 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 56.9 Cg_endo -70.94 176.21 7.98 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.934 2.423 . . . . 74.4 111.669 178.099 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 7.3 p -90.77 -19.89 7.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-O 121.097 0.475 . . . . 75.44 110.827 -178.666 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 26.2 p-80 -80.28 -24.23 40.19 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.039 0.447 . . . . 74.41 109.996 177.88 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -155.72 75.14 5.09 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-N 116.068 -0.514 . . . . 73.24 110.648 178.32 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 0.9 OUTLIER -77.91 164.09 27.91 Favored 'Trans proline' 0 N--CA 1.453 -0.871 0 C-N-CA 122.219 1.946 . . . . 64.31 112.042 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.47 ' HB2' ' HB2' ' A' ' 140' ' ' ALA . 2.6 tm? -118.59 117.07 27.99 Favored 'General case' 0 C--N 1.315 -0.929 0 CA-C-N 116.012 -0.54 . . . . 73.24 109.759 179.679 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . 0.471 ' O ' ' HA ' ' A' ' 106' ' ' GLN . 18.4 m-85 -102.77 134.95 45.32 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-N 115.468 -0.787 . . . . 74.42 109.275 178.431 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' THR . . . . . 0.526 ' HB ' ' HB2' ' A' ' 82' ' ' SER . 27.7 m -118.47 107.52 13.9 Favored 'General case' 0 C--N 1.316 -0.864 0 CA-C-O 120.981 0.42 . . . . 72.1 110.631 -178.124 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 7.4 mm -100.54 127.2 53.85 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 CA-C-N 115.65 -0.704 . . . . 71.43 110.114 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' SER . . . . . 0.509 ' HB2' ' HD3' ' A' ' 102' ' ' LYS . 15.5 p -107.17 119.44 39.39 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-O 120.977 0.418 . . . . 72.43 110.313 175.684 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . 0.481 HG11 ' HB3' ' A' ' 117' ' ' ALA . 7.8 p -113.75 132.63 62.18 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 N-CA-C 109.667 -0.494 . . . . 74.23 109.667 176.714 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 16.2 tt0 -110.82 112.73 24.78 Favored 'General case' 0 C--N 1.316 -0.867 0 N-CA-C 109.857 -0.423 . . . . 74.43 109.857 -176.828 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . 0.402 ' HB ' ' HE2' ' A' ' 103' ' ' TYR . 40.3 t -125.8 123.29 64.0 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.67 0 CA-C-N 115.771 -0.649 . . . . 72.31 110.535 -175.711 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 57.18 27.79 14.07 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.029 -0.987 . . . . 74.23 111.731 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 93.46 -14.67 64.75 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.789 -0.719 . . . . 72.52 112.556 179.779 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 2.2 mm100 -94.14 121.1 35.28 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.801 0.334 . . . . 73.24 110.162 179.227 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . 0.755 ' HZ3' ' HB3' ' A' ' 102' ' ' LYS . 0.0 OUTLIER -91.19 115.7 28.23 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-N 116.401 -0.363 . . . . 74.45 110.042 178.707 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' TYR . . . . . 0.402 ' HE2' ' HB ' ' A' ' 98' ' ' VAL . 60.1 m-85 -101.08 138.29 38.31 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 115.598 -0.728 . . . . 72.35 109.524 178.678 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 12.6 tp -109.95 141.35 42.83 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 116.563 -0.29 . . . . 74.34 110.505 -176.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -136.62 137.57 9.16 Favored Glycine 0 N--CA 1.45 -0.381 0 N-CA-C 111.404 -0.679 . . . . 73.42 111.404 177.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . 0.471 ' HA ' ' O ' ' A' ' 92' ' ' PHE . 15.9 mt-30 -124.9 126.05 44.91 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.829 0.314 . . . . 74.25 110.688 -176.245 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -146.87 -175.41 19.78 Favored Glycine 0 C--O 1.225 -0.416 0 C-N-CA 120.726 -0.749 . . . . 38.65 112.466 -177.559 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 26.0 mmt180 -84.2 -3.05 57.91 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-O 120.908 0.385 . . . . 75.53 111.884 -178.644 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 66.8 m -159.64 166.94 29.62 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 108.749 -0.834 . . . . 73.21 108.749 179.025 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . 0.436 ' HE2' HD23 ' A' ' 80' ' ' LEU . 96.3 mttt -55.0 -39.64 69.29 Favored 'General case' 0 C--N 1.332 -0.184 0 O-C-N 123.483 0.49 . . . . 74.0 110.206 177.102 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 78.3 tttt -60.32 -53.51 56.76 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.312 -0.858 . . . . 75.53 111.273 -179.582 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . 0.48 ' O ' ' HG2' ' A' ' 116' ' ' GLU . 35.0 t -60.22 -49.47 84.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 115.963 -0.562 . . . . 71.52 110.307 -178.829 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -62.64 -35.54 79.93 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.026 -0.534 . . . . 63.31 111.483 -177.887 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' ARG . . . . . 0.447 ' HD2' HG12 ' A' ' 66' ' ' VAL . 26.2 ttm180 -60.87 -47.94 84.06 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.122 -0.49 . . . . 73.05 109.908 176.783 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 64.5 mt -61.67 -47.66 92.28 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.349 0 CA-C-N 115.671 -0.695 . . . . 74.22 111.19 176.768 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . 0.48 ' HG2' ' O ' ' A' ' 112' ' ' VAL . 15.9 mm-40 -57.28 -43.46 83.12 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 121.012 0.434 . . . . 70.53 111.05 178.7 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . 0.481 ' HB3' HG11 ' A' ' 96' ' ' VAL . . . -61.8 -45.04 95.59 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-N 116.159 -0.473 . . . . 63.1 110.801 178.697 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . 0.476 ' O ' ' HG ' ' A' ' 122' ' ' LEU . . . -67.58 -30.6 70.26 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.958 -0.565 . . . . 70.55 111.168 -179.669 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -62.57 -41.44 98.93 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.078 0.465 . . . . 61.35 110.201 177.275 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 37.5 m -66.66 -35.03 79.18 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.664 -0.698 . . . . 73.13 110.533 176.779 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -64.33 -47.6 78.78 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.198 -0.455 . . . . 73.24 110.58 176.888 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . 0.476 ' HG ' ' O ' ' A' ' 118' ' ' ALA . 60.0 mt -57.76 -50.0 74.7 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.162 -0.472 . . . . 72.45 111.188 -179.58 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 123' ' ' ARG . . . . . 0.453 ' HA ' ' O ' ' A' ' 126' ' ' ILE . 16.6 ptm180 -67.21 -14.21 62.69 Favored 'General case' 0 N--CA 1.466 0.35 0 CA-C-N 116.262 -0.426 . . . . 73.25 111.327 -176.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 32.5 t -79.05 -31.9 44.68 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.171 -0.468 . . . . 54.41 110.14 176.103 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 59.5 m-85 -86.16 -49.19 7.93 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.078 -0.51 . . . . 74.12 110.212 -179.34 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 126' ' ' ILE . . . . . 0.453 ' O ' ' HA ' ' A' ' 123' ' ' ARG . 0.2 OUTLIER -135.27 146.04 30.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 115.853 -0.612 . . . . 74.15 109.922 179.883 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -109.66 129.54 55.59 Favored 'General case' 0 C--N 1.32 -0.69 0 N-CA-C 109.88 -0.415 . . . . 71.33 109.88 -177.493 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 128' ' ' PHE . . . . . 0.439 ' HE1' HG13 ' A' ' 126' ' ' ILE . 27.4 m-85 -129.01 177.71 6.92 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.415 0.626 . . . . 75.02 111.47 -178.847 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 62.5 tttp -126.93 112.72 15.61 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.429 -0.805 . . . . 65.4 109.566 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -105.64 -36.74 6.99 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.158 0.504 . . . . 72.02 110.399 -178.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 101.93 -31.7 8.39 Favored Glycine 0 N--CA 1.447 -0.584 0 N-CA-C 111.175 -0.77 . . . . 62.12 111.175 -176.008 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -64.57 130.91 45.44 Favored 'General case' 0 N--CA 1.45 -0.473 0 CA-C-N 115.339 -0.431 . . . . 70.43 110.613 177.335 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 46.8 t -84.16 118.25 31.13 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.662 0 CA-C-N 116.252 -0.431 . . . . 74.21 110.218 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 49.2 tp -107.0 94.4 5.08 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.188 0.518 . . . . 73.51 110.236 -179.785 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 31.8 p -153.68 159.05 32.54 Favored Pre-proline 0 C--N 1.322 -0.594 0 CA-C-N 115.546 -0.752 . . . . 54.4 109.446 -179.569 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 136' ' ' PRO . . . . . . . . . . . . . 58.4 Cg_endo -72.53 70.35 3.34 Favored 'Trans proline' 0 C--N 1.344 0.326 0 C-N-CA 122.381 2.054 . . . . 62.33 112.602 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 78.8 mt -72.44 -41.27 66.35 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 109.426 -0.583 . . . . 74.05 109.426 176.46 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 29.0 mtpp -108.84 107.08 59.79 Favored Pre-proline 0 C--N 1.325 -0.473 0 CA-C-N 115.36 -0.836 . . . . 74.13 109.819 173.77 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 1.3 Cg_endo -82.86 -158.37 0.09 OUTLIER 'Trans proline' 0 N--CA 1.456 -0.712 0 C-N-CA 123.109 2.539 . . . . 72.51 111.352 178.254 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 140' ' ' ALA . . . . . 0.47 ' HB2' ' HB2' ' A' ' 91' ' ' LEU . . . . . . . . 0 C--O 1.246 0.906 0 CA-C-O 118.913 -0.565 . . . . 71.33 109.875 176.26 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 19.8 m . . . . . 0 N--CA 1.478 0.967 0 CA-C-O 120.85 0.357 . . . . 72.44 110.071 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 7.7 p-10 -127.37 117.58 21.55 Favored Pre-proline 0 C--N 1.325 -0.483 0 CA-C-O 121.097 0.475 . . . . 73.24 111.173 -178.539 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 8.0 Cg_exo -72.83 96.57 0.85 Allowed 'Trans proline' 0 N--CA 1.46 -0.481 0 C-N-CA 123.074 2.516 . . . . 72.43 111.044 174.11 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.735 ' HB3' ' HZ2' ' A' ' 51' ' ' LYS . 6.2 ttpm? -126.0 106.88 9.93 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.646 -0.706 . . . . 71.23 110.33 -172.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 37.5 mtmt -88.13 48.72 1.68 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.169 -0.469 . . . . 71.01 111.64 -176.194 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.437 ' HE2' ' HB2' ' A' ' 53' ' ' LYS . 21.0 ttmm -78.82 106.01 10.53 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 108.773 -0.825 . . . . 55.22 108.773 175.536 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 64.2 mtt -67.08 111.82 4.07 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.245 -0.889 . . . . 64.14 111.867 -169.402 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 21.2 p -110.4 146.32 36.04 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.476 -0.784 . . . . 71.24 109.784 174.643 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.405 ' HB2' ' HE3' ' A' ' 56' ' ' LYS . 35.1 ttmt -76.9 121.16 23.03 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 108.352 -0.981 . . . . 73.53 108.352 174.372 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.731 ' HB3' HG12 ' A' ' 59' ' ' ILE . 71.4 mm-40 -48.28 -65.69 0.53 Allowed 'General case' 0 C--O 1.235 0.3 0 O-C-N 123.784 0.677 . . . . 53.52 112.134 -170.924 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 5.4 tpt180 61.11 26.49 16.4 Favored 'General case' 0 C--O 1.234 0.259 0 O-C-N 123.458 0.474 . . . . 72.22 110.232 178.116 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.731 HG12 ' HB3' ' A' ' 57' ' ' GLU . 49.2 mm -62.76 127.87 91.04 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 115.364 -0.835 . . . . 74.34 111.843 -173.583 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 39.7 Cg_endo -68.08 137.06 39.74 Favored 'Trans proline' 0 C--O 1.236 0.424 0 C-N-CA 122.649 2.232 . . . . 75.31 111.726 174.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 4.2 mp0 65.76 98.09 0.04 OUTLIER Pre-proline 0 C--O 1.236 0.361 0 O-C-N 123.647 0.592 . . . . 70.2 111.086 -178.672 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 7.0 Cg_exo -74.73 -142.27 0.02 OUTLIER 'Trans proline' 0 C--N 1.345 0.369 0 C-N-CA 123.786 2.991 . . . . 71.44 112.397 -178.737 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 38.2 mtpt 68.86 30.5 4.67 Favored 'General case' 0 N--CA 1.467 0.385 0 CA-C-O 121.263 0.554 . . . . 75.5 110.334 178.199 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . 0.418 ' ND2' ' HB ' ' A' ' 66' ' ' VAL . 17.9 p-10 -102.84 142.06 34.6 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 122.185 0.993 . . . . 70.33 112.394 -174.898 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 40.0 p -63.23 -21.75 66.42 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 114.099 -1.41 . . . . 71.12 111.137 178.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.418 ' HB ' ' ND2' ' A' ' 64' ' ' ASN . 60.9 t -59.73 -44.17 93.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 115.42 -0.809 . . . . 43.02 110.812 177.412 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -65.54 -40.43 92.89 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.194 0.521 . . . . 72.02 109.864 177.821 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' MET . . . . . 0.415 ' HB2' HD12 ' A' ' 122' ' ' LEU . 76.1 mmm -56.78 -47.32 80.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.295 -0.866 . . . . 73.3 110.761 176.32 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.518 ' HB3' HD13 ' A' ' 76' ' ' LEU . 0.7 OUTLIER -59.39 -37.42 77.93 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.764 -0.653 . . . . 74.23 111.778 -179.421 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 15.0 m-80 -67.5 -21.58 65.49 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.941 0.4 . . . . 73.32 110.893 -178.688 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 61.9 mt-10 -79.91 -32.68 40.19 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.095 -0.502 . . . . 75.11 110.566 175.453 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 79.8 mt -85.72 -67.36 0.81 Allowed 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.137 -0.483 . . . . 72.13 112.071 -174.347 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 6.8 tpp180 -136.59 108.88 7.29 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.339 -0.392 . . . . 74.22 110.348 -175.112 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . 0.526 ' HA ' HD23 ' A' ' 76' ' ' LEU . 2.8 p-80 -81.92 170.68 15.34 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.973 -0.558 . . . . 74.45 109.759 176.196 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 90.72 23.75 29.83 Favored Glycine 0 N--CA 1.443 -0.891 0 N-CA-C 109.956 -1.258 . . . . 64.4 109.956 -169.232 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.826 ' H ' HD22 ' A' ' 76' ' ' LEU . 1.8 pt? -96.88 107.98 20.59 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 114.604 -0.798 . . . . 74.52 110.283 -178.368 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 4.7 mp -103.36 110.18 29.09 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.744 0 CA-C-N 116.144 -0.48 . . . . 74.14 110.503 -179.133 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . 0.46 ' CD2' ' HB ' ' A' ' 96' ' ' VAL . 93.8 m-85 -85.0 124.77 32.08 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.24 -0.436 . . . . 72.54 109.836 176.237 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 13.7 ptpt -131.98 131.5 42.63 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 120.917 0.389 . . . . 74.41 110.328 -178.438 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 50.1 tp -79.43 101.02 7.94 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 109.027 -0.731 . . . . 72.3 109.027 176.492 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -89.24 -31.4 17.91 Favored 'General case' 0 C--N 1.322 -0.629 0 C-N-CA 120.755 -0.378 . . . . 74.31 111.799 -173.799 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 32.5 m -145.84 130.96 18.36 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 120.852 0.358 . . . . 65.13 110.865 -176.423 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 21.6 tm0? -132.99 108.69 9.05 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 109.531 -0.544 . . . . 74.33 109.531 174.287 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 18.7 p -142.92 141.53 31.5 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.068 -0.514 . . . . 73.3 110.595 -178.079 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 139.63 160.93 8.52 Favored Glycine 0 N--CA 1.445 -0.714 0 C-N-CA 120.824 -0.703 . . . . 71.11 111.919 177.36 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 33.1 Cg_endo -64.78 170.26 10.32 Favored 'Trans proline' 0 C--O 1.225 -0.143 0 C-N-CA 123.136 2.557 . . . . 73.1 112.22 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 12.6 p -71.41 -25.93 25.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-O 120.765 0.316 . . . . 73.42 111.156 -178.615 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 34.0 p-80 -83.02 -26.2 31.43 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 120.734 0.302 . . . . 75.1 110.833 -178.882 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -148.69 72.79 10.6 Favored Pre-proline 0 C--N 1.326 -0.44 0 CA-C-O 120.837 0.351 . . . . 73.05 110.963 179.302 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . 0.464 ' O ' ' HA ' ' A' ' 108' ' ' ARG . 66.2 Cg_endo -82.59 144.93 12.85 Favored 'Trans proline' 0 N--CA 1.456 -0.73 0 C-N-CA 122.333 2.022 . . . . 74.13 112.177 178.531 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -107.48 118.15 35.97 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.86 -0.609 . . . . 64.34 109.551 179.767 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . 0.415 ' O ' ' HA ' ' A' ' 106' ' ' GLN . 46.0 m-85 -103.89 133.21 49.25 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 115.361 -0.836 . . . . 73.21 109.277 178.411 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 18.4 m -119.02 105.21 11.21 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-O 120.904 0.383 . . . . 71.25 110.639 -177.853 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 5.9 mm -104.21 125.23 58.99 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.666 0 CA-C-N 115.716 -0.675 . . . . 72.03 109.585 178.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' SER . . . . . 0.473 ' CB ' ' HD3' ' A' ' 102' ' ' LYS . 0.3 OUTLIER -105.12 128.7 53.49 Favored 'General case' 0 C--N 1.314 -0.954 0 N-CA-C 109.955 -0.387 . . . . 72.3 109.955 174.539 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . 0.501 HG11 ' HB3' ' A' ' 117' ' ' ALA . 11.8 p -116.29 128.23 73.67 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.844 0 CA-C-O 121.416 0.627 . . . . 75.45 110.004 177.462 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 18.5 tt0 -100.36 112.28 24.61 Favored 'General case' 0 C--N 1.313 -1.015 0 CA-C-N 115.642 -0.708 . . . . 63.43 109.277 179.488 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . 0.445 ' C ' ' H ' ' A' ' 100' ' ' GLY . 15.3 t -124.37 123.43 66.31 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.772 0 CA-C-N 115.537 -0.756 . . . . 72.42 110.041 -174.193 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 18.2 t70 66.73 -9.79 0.33 Allowed 'General case' 0 N--CA 1.474 0.771 0 CA-C-O 121.345 0.593 . . . . 74.42 111.918 -178.389 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . 0.445 ' H ' ' C ' ' A' ' 98' ' ' VAL . . . 118.22 -2.3 16.52 Favored Glycine 0 C--N 1.317 -0.504 0 N-CA-C 111.427 -0.669 . . . . 52.35 111.427 -173.73 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' GLN . . . . . 0.485 ' HB3' ' CE2' ' A' ' 103' ' ' TYR . 4.4 tp60 -99.48 135.6 40.65 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 108.829 -0.804 . . . . 64.53 108.829 175.277 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . 0.473 ' HD3' ' CB ' ' A' ' 95' ' ' SER . 0.0 OUTLIER -102.63 113.92 27.7 Favored 'General case' 0 C--N 1.315 -0.893 0 CA-C-O 121.199 0.523 . . . . 75.43 110.289 -177.404 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' TYR . . . . . 0.485 ' CE2' ' HB3' ' A' ' 101' ' ' GLN . 63.4 m-85 -104.94 139.32 39.83 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.573 -0.739 . . . . 75.33 109.977 178.786 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 13.3 tp -108.1 143.03 37.39 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.824 0.345 . . . . 74.43 110.869 -176.313 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -132.52 128.35 5.16 Favored Glycine 0 N--CA 1.447 -0.615 0 N-CA-C 111.375 -0.69 . . . . 37.24 111.375 176.785 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . 0.415 ' HA ' ' O ' ' A' ' 92' ' ' PHE . 24.5 mt-30 -124.14 113.36 18.24 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 121.122 0.487 . . . . 73.53 110.666 -176.093 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -135.47 -177.3 14.87 Favored Glycine 0 N--CA 1.45 -0.422 0 CA-C-N 115.784 -0.644 . . . . 60.42 112.013 -177.148 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . 0.464 ' HA ' ' O ' ' A' ' 90' ' ' PRO . 11.5 mmt85 -92.38 6.71 45.92 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.469 0.652 . . . . 75.5 110.743 -176.806 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' SER . . . . . 0.515 ' HB2' HG22 ' A' ' 112' ' ' VAL . 15.9 m -156.44 162.29 40.01 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 108.671 -0.863 . . . . 73.05 108.671 178.829 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -61.98 -37.58 85.31 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.13 0.49 . . . . 74.51 110.458 -179.407 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 79.9 tttt -66.67 -49.93 64.53 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.621 -0.718 . . . . 74.41 110.446 179.552 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . 0.515 HG22 ' HB2' ' A' ' 109' ' ' SER . 46.7 t -54.87 -51.34 53.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 115.817 -0.629 . . . . 75.13 110.629 177.497 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -59.29 -41.48 89.08 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.873 -0.603 . . . . 71.43 111.337 -178.215 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 11.2 ttm180 -61.57 -42.89 99.51 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.154 -0.475 . . . . 73.42 110.47 178.222 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 65.2 mt -66.91 -44.34 88.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-N 115.819 -0.628 . . . . 74.14 111.563 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -60.21 -37.35 80.01 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.79 0.328 . . . . 75.03 111.16 178.136 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . 0.501 ' HB3' HG11 ' A' ' 96' ' ' VAL . . . -64.53 -43.19 94.8 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.174 0.512 . . . . 72.34 110.367 177.422 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . 0.467 ' O ' ' HG ' ' A' ' 122' ' ' LEU . . . -69.67 -35.55 75.25 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.759 -0.655 . . . . 73.52 111.343 -179.693 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -61.62 -40.83 96.25 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.115 0.483 . . . . 74.12 110.477 179.562 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 120' ' ' THR . . . . . 0.422 ' O ' ' HG2' ' A' ' 123' ' ' ARG . 32.0 m -63.86 -38.64 91.86 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.548 -0.751 . . . . 73.54 110.686 177.448 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -65.68 -47.92 73.81 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.244 -0.435 . . . . 60.21 110.932 177.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . 0.467 ' HG ' ' O ' ' A' ' 118' ' ' ALA . 61.7 mt -55.18 -49.89 70.75 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.299 -0.409 . . . . 73.33 111.196 -179.226 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 123' ' ' ARG . . . . . 0.422 ' HG2' ' O ' ' A' ' 120' ' ' THR . 25.1 ptt180 -66.92 -19.11 65.67 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.134 -0.484 . . . . 75.01 110.977 -176.016 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 74.1 m -80.67 -25.09 38.46 Favored 'General case' 0 N--CA 1.438 -1.026 0 CA-C-N 116.062 -0.517 . . . . 71.44 111.032 178.031 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 18.6 m-85 -87.49 -51.17 6.07 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 109.534 -0.543 . . . . 74.34 109.534 177.508 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -134.63 134.68 54.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.039 -0.528 . . . . 74.4 109.745 176.349 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 3.9 pm0 -106.77 117.94 35.37 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-O 121.599 0.714 . . . . 65.12 110.824 -176.796 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 5.5 m-85 -109.82 14.44 23.21 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 121.672 0.748 . . . . 75.11 109.024 173.352 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 14.1 mmmt -150.07 158.06 43.77 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 114.574 -1.194 . . . . 71.11 109.776 -179.1 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -49.3 -39.27 30.49 Favored 'General case' 0 C--N 1.327 -0.371 0 O-C-N 123.763 0.664 . . . . 70.51 111.729 173.394 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 85.79 20.27 56.28 Favored Glycine 0 N--CA 1.443 -0.87 0 N-CA-C 111.201 -0.76 . . . . 62.14 111.201 -179.04 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -87.83 119.6 28.33 Favored 'General case' 0 N--CA 1.448 -0.543 0 CA-C-O 121.42 0.629 . . . . 75.23 110.649 -179.804 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 48.9 t -127.22 140.19 49.8 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.813 0 CA-C-N 115.371 -0.831 . . . . 72.54 109.529 -177.209 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 45.0 tp -80.58 90.46 5.73 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 121.221 0.534 . . . . 72.32 110.178 178.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 135' ' ' SER . . . . . 0.412 ' HA ' ' HD3' ' A' ' 136' ' ' PRO . 45.1 m -62.77 140.07 97.19 Favored Pre-proline 0 C--N 1.317 -0.812 0 CA-C-N 115.491 -0.777 . . . . 72.45 109.877 174.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 136' ' ' PRO . . . . . 0.412 ' HD3' ' HA ' ' A' ' 135' ' ' SER . 19.9 Cg_exo -65.49 97.72 0.32 Allowed 'Trans proline' 0 N--CA 1.463 -0.323 0 C-N-CA 122.433 2.089 . . . . 75.1 111.897 179.535 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 137' ' ' LEU . . . . . 0.514 ' O ' ' HD3' ' A' ' 139' ' ' PRO . 76.9 mt -84.75 99.05 10.6 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 109.308 -0.627 . . . . 71.22 109.308 179.263 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 23.6 tptm -112.57 92.45 19.89 Favored Pre-proline 0 C--N 1.323 -0.546 0 CA-C-N 116.257 -0.429 . . . . 74.33 111.129 -172.683 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 139' ' ' PRO . . . . . 0.514 ' HD3' ' O ' ' A' ' 137' ' ' LEU . 96.7 Cg_endo -98.19 -167.37 0.1 OUTLIER 'Trans proline' 0 N--CA 1.448 -1.169 0 C-N-CA 123.422 2.748 . . . . 73.43 111.587 175.599 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.052 0 CA-C-O 118.965 -0.541 . . . . 71.33 110.118 177.345 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 22.0 t . . . . . 0 N--CA 1.478 0.963 0 CA-C-O 120.842 0.353 . . . . 54.1 110.424 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 25.8 t0 -85.64 105.9 8.15 Favored Pre-proline 0 CA--C 1.532 0.276 0 N-CA-C 109.353 -0.61 . . . . 73.2 109.353 -179.77 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 69.6 Cg_endo -88.47 30.13 0.44 Allowed 'Trans proline' 0 CA--C 1.531 0.334 0 C-N-CA 123.322 2.681 . . . . 75.31 114.741 -166.81 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 11.9 mtpt -81.13 81.36 7.36 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.271 0.558 . . . . 72.34 109.555 172.644 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 19.1 ptmt -86.01 92.15 8.61 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.735 0.779 . . . . 74.31 111.876 -173.61 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 3.5 ptmm? -104.72 99.3 8.96 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.532 -0.758 . . . . 74.21 109.74 173.746 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 26.2 ptt? -72.14 -24.93 61.53 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.992 -0.549 . . . . 73.41 111.329 -176.047 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 48.0 t -147.39 154.82 41.34 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.846 0.355 . . . . 64.34 110.916 -177.238 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 26.3 tttm -95.42 -66.13 0.93 Allowed 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.665 -0.698 . . . . 74.31 109.344 178.864 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -139.02 144.16 38.75 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 109.625 -0.509 . . . . 53.31 109.625 168.874 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.513 ' HG2' HG13 ' A' ' 59' ' ' ILE . 0.0 OUTLIER -138.08 -31.42 0.77 Allowed 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.221 -0.445 . . . . 75.33 110.929 -176.809 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.513 HG13 ' HG2' ' A' ' 58' ' ' ARG . 69.7 mt -104.76 128.01 27.69 Favored Pre-proline 0 C--N 1.325 -0.463 0 N-CA-C 109.732 -0.47 . . . . 75.2 109.732 178.439 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 20.1 Cg_endo -59.87 178.14 0.41 Allowed 'Trans proline' 0 C--N 1.347 0.454 0 C-N-CA 123.461 2.774 . . . . 75.1 112.551 179.018 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . 0.74 ' HG2' HD12 ' A' ' 115' ' ' ILE . 31.7 tp60 -145.56 112.81 4.66 Favored Pre-proline 0 C--N 1.326 -0.445 0 CA-C-O 120.677 0.275 . . . . 75.25 111.509 -176.579 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . 0.439 ' HD2' ' HA ' ' A' ' 61' ' ' GLN . 18.2 Cg_endo -61.62 148.17 93.66 Favored 'Trans proline' 0 C--O 1.234 0.286 0 C-N-CA 122.43 2.087 . . . . 50.43 111.243 169.829 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.41 ' HE3' ' HB2' ' A' ' 63' ' ' LYS . 20.4 ptmt 43.88 51.07 6.94 Favored 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 124.04 0.936 . . . . 74.02 112.194 -176.821 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 50.1 t-20 -57.73 117.8 4.62 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.44 -0.8 . . . . 62.31 110.435 177.563 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 43.1 p -71.41 -27.98 63.68 Favored 'General case' 0 C--N 1.315 -0.893 0 CA-C-N 115.436 -0.802 . . . . 74.43 111.449 -178.282 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 58.2 t -64.96 -42.11 93.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-O 121.39 0.614 . . . . 73.21 109.578 177.396 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . 0.568 ' O ' ' HG3' ' A' ' 71' ' ' GLU . . . -63.17 -40.03 96.35 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.224 -0.898 . . . . 72.04 109.88 176.193 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' MET . . . . . 0.408 ' HE1' ' HB3' ' A' ' 68' ' ' MET . 58.4 mmm -60.46 -46.08 91.36 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.591 -0.731 . . . . 75.01 110.786 177.468 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.575 ' HB3' HD13 ' A' ' 76' ' ' LEU . 0.9 OUTLIER -60.62 -38.03 83.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.073 -0.512 . . . . 74.02 111.491 -178.054 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 25.0 m-80 -65.5 -28.21 69.03 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.068 0.461 . . . . 73.12 110.445 179.862 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.568 ' HG3' ' O ' ' A' ' 67' ' ' ALA . 30.3 mt-10 -77.33 -41.46 40.41 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.858 -0.61 . . . . 75.22 110.336 177.881 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 75.8 mt -68.13 -59.49 3.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.923 -0.58 . . . . 72.43 111.573 -178.49 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 24.6 mmm180 -131.1 170.77 14.08 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.149 0.5 . . . . 74.24 111.409 -174.178 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 7.6 p-80 -122.76 155.02 37.37 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.612 -0.722 . . . . 72.43 109.167 173.55 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 92.72 36.91 5.94 Favored Glycine 0 N--CA 1.444 -0.781 0 C-N-CA 120.199 -1.0 . . . . 65.22 111.094 -177.331 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.626 ' H ' HD23 ' A' ' 76' ' ' LEU . 1.1 pt? -106.71 106.17 16.56 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.341 0.591 . . . . 74.33 110.088 179.36 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . 0.487 ' O ' ' HA ' ' A' ' 96' ' ' VAL . 4.8 mp -105.78 115.82 48.3 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 CA-C-N 115.788 -0.642 . . . . 74.34 110.402 -178.011 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . 0.481 ' CE1' HD11 ' A' ' 76' ' ' LEU . 87.4 m-85 -95.56 125.34 40.09 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.396 -0.366 . . . . 75.13 110.15 178.697 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 17.2 ptpt -136.85 144.22 43.48 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 120.719 0.295 . . . . 72.31 110.308 179.463 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.46 HD21 ' HE2' ' A' ' 110' ' ' LYS . 33.8 tp -82.76 111.46 18.71 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 109.348 -0.612 . . . . 71.42 109.348 177.572 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -94.8 -24.33 17.11 Favored 'General case' 0 C--N 1.323 -0.55 0 C-N-CA 120.273 -0.571 . . . . 73.31 111.48 -179.348 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 69.5 m -154.99 145.68 22.36 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.919 0.39 . . . . 73.41 111.526 -178.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 22.7 tm0? -142.41 115.27 8.7 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 108.809 -0.811 . . . . 72.33 108.809 174.577 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 20.8 p -148.1 140.67 24.5 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.244 -0.435 . . . . 75.22 110.855 -174.829 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 144.03 -178.98 21.7 Favored Glycine 0 N--CA 1.449 -0.481 0 C-N-CA 120.156 -1.021 . . . . 62.14 112.663 174.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 55.8 Cg_endo -69.67 167.12 25.23 Favored 'Trans proline' 0 C--O 1.223 -0.261 0 C-N-CA 122.944 2.43 . . . . 64.31 111.656 178.636 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 10.1 p -78.45 -25.15 13.67 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 C-N-CA 120.84 -0.344 . . . . 75.41 111.022 -178.489 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 33.3 p-80 -79.33 -25.9 42.25 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-O 120.847 0.356 . . . . 75.23 110.85 -178.884 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -151.74 69.04 7.77 Favored Pre-proline 0 C--N 1.327 -0.384 0 CA-C-N 116.314 -0.403 . . . . 70.4 110.671 178.436 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . 0.606 ' O ' ' HA ' ' A' ' 108' ' ' ARG . 46.4 Cg_endo -71.6 143.99 43.58 Favored 'Trans proline' 0 N--CA 1.461 -0.406 0 C-N-CA 122.356 2.038 . . . . 73.14 111.769 -178.368 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 21.3 tp -100.82 130.73 46.88 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 121.388 0.613 . . . . 72.33 110.458 179.647 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . 0.563 ' O ' ' HA ' ' A' ' 106' ' ' GLN . 11.5 m-85 -111.77 141.19 45.71 Favored 'General case' 0 C--N 1.313 -0.997 0 CA-C-N 115.107 -0.951 . . . . 74.11 109.009 179.718 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 12.9 m -122.77 101.6 7.55 Favored 'General case' 0 C--N 1.316 -0.853 0 CA-C-O 121.246 0.546 . . . . 72.51 110.202 -177.634 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 6.5 mm -98.75 129.66 48.77 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.713 0 CA-C-N 115.284 -0.871 . . . . 74.34 109.743 -179.034 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' SER . . . . . 0.55 ' HB2' ' HD3' ' A' ' 102' ' ' LYS . 3.2 p -107.59 126.03 52.05 Favored 'General case' 0 C--N 1.311 -1.078 0 CA-C-N 115.662 -0.699 . . . . 73.53 109.733 176.629 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . 0.487 ' HA ' ' O ' ' A' ' 77' ' ' ILE . 8.8 p -123.24 129.5 74.86 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.944 0 CA-C-O 121.116 0.484 . . . . 61.21 110.287 177.415 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 24.7 tt0 -102.39 113.76 27.36 Favored 'General case' 0 C--N 1.314 -0.971 0 N-CA-C 109.094 -0.706 . . . . 73.2 109.094 176.125 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 24.7 t -120.91 120.67 63.02 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.81 0 CA-C-N 115.539 -0.755 . . . . 73.05 110.034 -176.819 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 28.7 t70 66.14 0.44 1.65 Allowed 'General case' 0 N--CA 1.467 0.415 0 O-C-N 123.745 0.653 . . . . 74.15 111.892 176.126 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 117.58 -0.13 18.15 Favored Glycine 0 N--CA 1.448 -0.501 0 C-N-CA 121.0 -0.619 . . . . 72.43 112.081 -177.527 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' GLN . . . . . 0.431 ' HA ' ' NE2' ' A' ' 101' ' ' GLN . 13.4 mm-40 -110.25 131.45 55.05 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.796 0.331 . . . . 75.43 110.993 176.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . 0.55 ' HD3' ' HB2' ' A' ' 95' ' ' SER . 0.2 OUTLIER -100.39 106.35 17.94 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.198 0.523 . . . . 64.31 110.408 -177.178 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 47.7 m-85 -95.21 153.25 17.75 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.655 -0.702 . . . . 74.15 109.592 179.663 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 13.3 tp -119.85 136.57 54.43 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 120.797 0.332 . . . . 75.43 110.625 -178.83 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -131.92 134.74 7.79 Favored Glycine 0 N--CA 1.448 -0.562 0 C-N-CA 121.027 -0.606 . . . . 73.41 111.742 179.809 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . 0.563 ' HA ' ' O ' ' A' ' 92' ' ' PHE . 31.4 mt-30 -128.77 123.89 34.09 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 120.819 0.342 . . . . 74.11 110.754 -176.659 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -147.32 178.75 24.73 Favored Glycine 0 N--CA 1.449 -0.469 0 N-CA-C 111.447 -0.661 . . . . 74.14 111.447 -179.451 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . 0.606 ' HA ' ' O ' ' A' ' 90' ' ' PRO . 27.9 mmt180 -81.91 8.12 11.23 Favored 'General case' 0 N--CA 1.466 0.374 0 CA-C-N 117.205 0.502 . . . . 63.21 112.029 -176.269 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 58.1 m -165.04 164.0 20.55 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 109.181 -0.674 . . . . 60.21 109.181 178.869 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . 0.46 ' HE2' HD21 ' A' ' 80' ' ' LEU . 84.0 mttt -57.75 -34.51 69.62 Favored 'General case' 0 C--N 1.333 -0.148 0 O-C-N 123.194 0.309 . . . . 71.52 110.299 177.396 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . 0.599 ' HE3' ' HB2' ' A' ' 61' ' ' GLN . 60.3 tttt -56.22 -60.06 4.04 Favored 'General case' 0 N--CA 1.454 -0.265 0 CA-C-N 115.884 -0.598 . . . . 62.41 110.572 176.613 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . 0.402 ' O ' ' HG2' ' A' ' 116' ' ' GLU . 23.7 t -64.55 -44.52 96.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 115.326 -0.852 . . . . 72.34 110.895 -175.682 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -59.21 -41.16 87.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.371 -0.377 . . . . 62.41 111.012 -178.793 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 17.7 ttm180 -64.45 -43.42 94.31 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.049 -0.523 . . . . 73.23 110.033 177.473 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 115' ' ' ILE . . . . . 0.74 HD12 ' HG2' ' A' ' 61' ' ' GLN . 75.0 mt -62.85 -48.63 87.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 115.485 -0.78 . . . . 72.14 111.458 178.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . 0.402 ' HG2' ' O ' ' A' ' 112' ' ' VAL . 8.8 mm-40 -57.72 -41.31 81.51 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.746 0.308 . . . . 74.43 111.127 179.553 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . 0.477 ' HB3' HG12 ' A' ' 96' ' ' VAL . . . -62.21 -45.47 93.2 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.135 0.493 . . . . 71.32 110.52 178.362 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . 0.568 ' O ' ' HG ' ' A' ' 122' ' ' LEU . . . -67.08 -36.52 82.18 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.537 -0.756 . . . . 71.11 111.287 179.834 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -61.4 -41.49 97.22 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.074 0.464 . . . . 55.31 110.595 179.676 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 80.4 m -64.55 -40.36 95.44 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.696 -0.684 . . . . 73.13 110.584 177.373 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -61.35 -45.52 94.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.822 -0.626 . . . . 73.14 110.759 178.498 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . 0.568 ' HG ' ' O ' ' A' ' 118' ' ' ALA . 64.0 mt -53.45 -50.33 65.5 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-N 116.418 -0.355 . . . . 74.42 111.19 -178.587 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 13.1 ptt180 -75.09 -12.2 60.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.979 0.418 . . . . 74.33 111.079 -175.333 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 8.1 t -79.66 -26.67 40.98 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.135 -0.484 . . . . 71.3 109.768 177.686 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 66.5 m-85 -83.72 -54.26 5.04 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.075 -0.511 . . . . 71.52 109.896 176.706 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -130.24 134.99 61.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-O 121.23 0.538 . . . . 73.13 110.451 178.658 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 127' ' ' GLN . . . . . 0.455 ' H ' ' NE2' ' A' ' 127' ' ' GLN . 0.6 OUTLIER -127.75 124.64 38.25 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-N 115.823 -0.626 . . . . 73.11 110.265 179.394 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 80.7 m-85 -120.91 86.25 2.54 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 116.065 -0.516 . . . . 73.4 110.087 178.854 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 46.2 mmtm 57.91 73.24 0.48 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.154 -0.93 . . . . 75.42 111.347 -179.841 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -88.22 -63.14 1.34 Allowed 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.883 -0.599 . . . . 61.52 110.048 178.757 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 96.24 -26.75 19.81 Favored Glycine 0 N--CA 1.45 -0.415 0 C-N-CA 120.73 -0.748 . . . . 41.33 112.683 176.777 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -90.74 117.19 29.18 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.303 0.573 . . . . 73.24 110.341 -178.581 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 28.3 m -89.98 146.9 5.63 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.813 0 CA-C-N 115.293 -0.867 . . . . 72.54 111.213 -175.166 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 134' ' ' LEU . . . . . 0.507 ' HG ' ' O ' ' A' ' 134' ' ' LEU . 2.5 pt? -77.59 74.12 4.15 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.891 0.853 . . . . 65.12 110.301 177.356 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 48.9 m -153.49 167.48 13.47 Favored Pre-proline 0 C--N 1.321 -0.673 0 CA-C-N 115.274 -0.875 . . . . 74.34 109.325 -177.82 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 136' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_exo -56.23 101.13 0.09 OUTLIER 'Trans proline' 0 C--N 1.348 0.516 0 C-N-CA 122.445 2.097 . . . . 52.02 112.199 177.007 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 92.0 mt -103.09 92.99 4.77 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.844 -0.616 . . . . 74.34 109.777 177.659 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 138' ' ' LYS . . . . . 0.898 ' HB3' ' HD2' ' A' ' 139' ' ' PRO . 99.1 mttt 66.39 176.68 0.06 OUTLIER Pre-proline 0 CA--C 1.539 0.528 0 O-C-N 123.614 0.571 . . . . 74.45 110.127 -176.918 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 139' ' ' PRO . . . . . 0.898 ' HD2' ' HB3' ' A' ' 138' ' ' LYS . 6.1 Cg_exo -38.75 108.68 0.07 OUTLIER 'Trans proline' 0 C--N 1.357 0.984 0 C-N-CA 123.743 2.962 . . . . 73.34 113.717 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.066 0 CA-C-N 115.708 -0.678 . . . . 73.24 110.13 179.696 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 21.0 m . . . . . 0 N--CA 1.477 0.899 0 N-CA-C 110.145 -0.317 . . . . 73.31 110.145 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 2.5 t70 70.02 102.15 0.04 OUTLIER Pre-proline 0 N--CA 1.467 0.409 0 O-C-N 123.852 0.72 . . . . 64.33 110.124 178.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 16.8 Cg_exo -66.83 114.18 3.05 Favored 'Trans proline' 0 C--N 1.343 0.271 0 C-N-CA 123.168 2.578 . . . . 74.32 112.962 -173.527 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 17.3 ptpt -165.98 177.21 7.22 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.062 -0.517 . . . . 71.15 110.186 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 61.7 mttp -87.99 117.63 26.98 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 121.111 0.481 . . . . 73.42 111.174 177.701 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 16.8 pttm -68.31 -20.58 64.76 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.456 -0.793 . . . . 73.34 110.026 174.787 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 11.1 tmm? -153.98 123.39 6.58 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 114.592 -1.186 . . . . 72.45 107.891 177.762 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 52.3 t -66.37 -78.16 0.06 Allowed 'General case' 0 C--N 1.327 -0.378 0 O-C-N 123.285 0.366 . . . . 74.14 110.883 -176.448 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.473 ' HB3' ' HZ3' ' A' ' 56' ' ' LYS . 8.0 ttpm? -165.18 136.07 3.93 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 108.751 -0.833 . . . . 71.32 108.751 176.442 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -71.68 94.85 1.39 Allowed 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.314 0.578 . . . . 75.51 110.916 -174.911 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 23.6 mmm180 -82.01 -20.56 38.17 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.2 -0.909 . . . . 74.43 110.624 177.905 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 15.9 pt -135.42 146.87 59.57 Favored Pre-proline 0 C--N 1.325 -0.466 0 CA-C-N 115.83 -0.623 . . . . 73.33 110.479 -179.291 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 88.6 Cg_endo -81.86 -169.69 0.82 Allowed 'Trans proline' 0 C--O 1.236 0.375 0 C-N-CA 122.896 2.397 . . . . 71.11 112.061 178.417 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -100.12 127.8 32.41 Favored Pre-proline 0 C--N 1.325 -0.462 0 CA-C-N 116.38 -0.373 . . . . 74.53 110.719 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 94.2 Cg_endo -80.79 -142.92 0.02 OUTLIER 'Trans proline' 0 N--CA 1.457 -0.619 0 C-N-CA 122.669 2.246 . . . . 72.42 109.634 168.232 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.585 ' HZ1' ' HB3' ' A' ' 63' ' ' LYS . 8.7 mtpm? -78.36 79.2 4.81 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 109.246 -0.65 . . . . 75.51 109.246 171.555 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 22.5 p-10 -57.07 131.03 48.66 Favored 'General case' 0 CA--C 1.515 -0.372 0 CA-C-O 122.124 0.964 . . . . 63.3 111.55 -175.668 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 39.9 p -61.1 -25.93 67.31 Favored 'General case' 0 C--N 1.314 -0.957 0 CA-C-N 113.824 -1.535 . . . . 65.13 111.551 -176.27 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 46.3 t -59.47 -46.78 92.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 115.519 -0.764 . . . . 74.54 110.462 177.501 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -67.22 -36.8 82.44 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.048 0.451 . . . . 55.1 110.191 178.24 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 75.6 mmm -59.47 -40.93 88.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.602 -0.726 . . . . 73.41 110.23 177.212 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.782 HD12 ' HH ' ' A' ' 78' ' ' TYR . 6.2 mt -63.53 -32.52 74.0 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.078 -0.51 . . . . 74.01 111.364 178.093 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . 0.441 ' ND2' HD11 ' A' ' 76' ' ' LEU . 0.9 OUTLIER -66.5 -27.51 67.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.345 0.593 . . . . 65.22 109.857 -179.04 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 51.9 mm-40 -80.94 -24.62 38.02 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 114.921 -1.036 . . . . 74.52 111.012 179.52 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 90.3 mt -90.49 -63.32 1.29 Allowed 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.079 -0.509 . . . . 64.05 111.875 -178.167 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 22.9 mmm180 -139.93 143.73 36.75 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.035 0.445 . . . . 74.05 111.922 -173.329 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 3.3 p-80 -90.92 162.32 14.81 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 108.815 -0.809 . . . . 73.1 108.815 169.396 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 87.89 40.1 6.79 Favored Glycine 0 N--CA 1.442 -0.909 0 C-N-CA 120.148 -1.025 . . . . 72.02 110.754 -176.806 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.613 ' H ' HD23 ' A' ' 76' ' ' LEU . 1.1 pt? -106.58 100.71 10.21 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.182 0.515 . . . . 73.41 109.948 178.516 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . 0.537 ' O ' ' HA ' ' A' ' 96' ' ' VAL . 4.8 mp -100.93 110.5 28.01 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.7 0 CA-C-N 116.113 -0.494 . . . . 74.4 110.706 -176.805 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . 0.782 ' HH ' HD12 ' A' ' 69' ' ' LEU . 92.6 m-85 -89.14 121.44 31.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.417 -0.356 . . . . 70.35 110.043 176.59 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 18.3 ptpt -133.86 138.93 45.9 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-O 120.768 0.318 . . . . 73.44 110.611 178.644 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.5 HD22 ' HB2' ' A' ' 83' ' ' GLN . 43.3 tp -79.15 103.8 9.33 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 108.89 -0.781 . . . . 74.34 108.89 174.853 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . 0.441 ' HB3' ' HG ' ' A' ' 95' ' ' SER . 5.6 pt-20 -86.48 -28.04 23.7 Favored 'General case' 0 C--N 1.324 -0.529 0 C-N-CA 120.113 -0.635 . . . . 74.32 111.603 -175.354 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 46.7 m -154.71 140.36 17.98 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.733 0.302 . . . . 55.45 110.453 177.86 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . 0.5 ' HB2' HD22 ' A' ' 80' ' ' LEU . 23.6 tm0? -130.62 113.87 14.74 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 109.035 -0.728 . . . . 64.05 109.035 174.65 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 18.9 p -140.06 150.11 43.96 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.106 -0.497 . . . . 64.34 110.98 -175.308 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 131.36 177.92 15.17 Favored Glycine 0 N--CA 1.445 -0.708 0 C-N-CA 120.635 -0.793 . . . . 64.14 112.049 175.444 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 44.5 Cg_endo -66.85 167.44 19.55 Favored 'Trans proline' 0 N--CA 1.462 -0.325 0 C-N-CA 122.603 2.202 . . . . 71.4 111.624 178.492 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 35.2 m -84.99 -14.81 11.04 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 C-N-CA 121.004 -0.278 . . . . 72.31 111.68 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 39.6 p-80 -84.34 -28.53 26.98 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.969 0.414 . . . . 73.11 110.306 177.889 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -150.61 76.0 8.38 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-N 115.929 -0.578 . . . . 74.12 110.118 177.744 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 5.1 Cg_exo -75.91 154.56 38.39 Favored 'Trans proline' 0 N--CA 1.457 -0.668 0 C-N-CA 122.581 2.187 . . . . 61.41 112.35 -178.048 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.424 HD13 ' HB3' ' A' ' 106' ' ' GLN . 2.9 tm? -110.75 116.84 31.99 Favored 'General case' 0 N--CA 1.443 -0.793 0 CA-C-O 121.409 0.623 . . . . 74.24 109.47 177.646 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 18.2 m-85 -101.41 132.09 47.18 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 115.488 -0.778 . . . . 74.35 109.066 179.582 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' THR . . . . . 0.405 HG22 HD13 ' A' ' 104' ' ' LEU . 14.6 m -114.2 100.9 8.71 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 121.092 0.472 . . . . 73.52 109.905 -176.935 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . 0.517 HG23 ' HA ' ' A' ' 114' ' ' ARG . 5.5 mm -96.67 126.76 49.29 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.698 0 CA-C-N 115.507 -0.77 . . . . 75.3 109.82 -179.323 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' SER . . . . . 0.544 ' HB2' ' HD3' ' A' ' 102' ' ' LYS . 1.8 p -106.73 124.2 49.26 Favored 'General case' 0 N--CA 1.437 -1.114 0 CA-C-N 115.523 -0.762 . . . . 61.43 109.657 176.29 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . 0.537 ' HA ' ' O ' ' A' ' 77' ' ' ILE . 7.3 p -115.93 120.65 65.45 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.851 0 CA-C-O 121.582 0.706 . . . . 65.31 110.283 177.139 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . 0.461 ' HA ' ' HA ' ' A' ' 102' ' ' LYS . 15.9 tt0 -97.34 115.04 26.94 Favored 'General case' 0 C--N 1.308 -1.23 0 N-CA-C 108.669 -0.863 . . . . 75.14 108.669 177.407 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 13.2 t -123.02 118.6 55.35 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 CA-C-N 115.886 -0.597 . . . . 63.33 109.938 -177.75 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 25.1 t70 66.26 16.89 10.59 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.537 0.684 . . . . 63.3 110.455 175.114 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 109.81 -26.28 14.65 Favored Glycine 0 N--CA 1.451 -0.338 0 CA-C-N 115.821 -0.627 . . . . 52.15 112.389 -179.047 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' GLN . . . . . 0.425 ' HB3' ' CE2' ' A' ' 103' ' ' TYR . 0.0 OUTLIER -88.16 128.92 35.45 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 110.186 -0.301 . . . . 61.43 110.186 -177.266 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . 0.544 ' HD3' ' HB2' ' A' ' 95' ' ' SER . 2.5 tmmm? -96.8 118.35 33.04 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.89 0.376 . . . . 75.35 110.147 179.65 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' TYR . . . . . 0.475 ' CD1' ' HA ' ' A' ' 121' ' ' ALA . 57.6 m-85 -106.29 142.06 36.59 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.634 -0.712 . . . . 71.41 110.0 178.441 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . 0.405 HD13 HG22 ' A' ' 93' ' ' THR . 12.3 tp -108.43 144.67 35.72 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 120.782 0.325 . . . . 71.41 111.071 -177.236 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . 0.482 ' HA3' ' N ' ' A' ' 117' ' ' ALA . . . -142.28 138.56 8.58 Favored Glycine 0 N--CA 1.448 -0.541 0 N-CA-C 111.474 -0.651 . . . . 63.32 111.474 176.938 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . 0.424 ' HB3' HD13 ' A' ' 91' ' ' LEU . 17.9 mt-30 -124.74 123.08 39.22 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 120.827 0.346 . . . . 64.3 110.968 -174.188 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -140.08 -179.52 17.95 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.916 -0.659 . . . . 73.33 112.019 -177.768 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 16.5 mmt180 -86.71 0.03 55.42 Favored 'General case' 0 N--CA 1.466 0.37 0 CA-C-O 121.247 0.546 . . . . 75.01 110.563 -177.323 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 67.0 m -161.25 164.22 30.46 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 108.653 -0.869 . . . . 71.02 108.653 -179.744 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . 0.434 ' HE2' HD21 ' A' ' 80' ' ' LEU . 86.5 mttt -54.99 -43.31 73.46 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-O 120.933 0.397 . . . . 74.25 110.822 179.23 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 81.5 tttt -60.31 -51.43 69.56 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.648 -0.705 . . . . 75.1 110.981 -177.748 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . 0.581 ' O ' ' HG2' ' A' ' 116' ' ' GLU . 30.3 t -57.99 -53.12 49.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 115.377 -0.828 . . . . 73.01 110.633 177.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -58.97 -36.6 75.12 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.988 -0.551 . . . . 72.11 111.738 -176.815 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 114' ' ' ARG . . . . . 0.517 ' HA ' HG23 ' A' ' 94' ' ' ILE . 39.7 ttm180 -59.86 -45.47 92.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.135 -0.484 . . . . 74.42 110.449 178.273 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 52.5 mt -65.6 -45.83 91.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 115.757 -0.656 . . . . 73.41 111.227 176.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . 0.581 ' HG2' ' O ' ' A' ' 112' ' ' VAL . 7.0 mm-40 -58.69 -38.2 77.74 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.056 0.455 . . . . 64.12 110.952 178.762 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . 0.486 ' HB1' HG11 ' A' ' 96' ' ' VAL . . . -63.87 -46.67 83.93 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.81 -0.632 . . . . 60.31 111.095 178.397 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . 0.552 ' O ' ' HG ' ' A' ' 122' ' ' LEU . . . -66.46 -27.24 67.65 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.922 -0.581 . . . . 71.12 111.082 -179.386 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -61.31 -45.39 94.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.06 -0.518 . . . . 73.43 110.878 177.614 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 35.8 m -62.77 -40.22 96.62 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.985 -0.552 . . . . 64.54 110.266 176.628 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . 0.475 ' HA ' ' CD1' ' A' ' 103' ' ' TYR . . . -57.21 -52.11 66.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.652 -0.704 . . . . 51.11 111.103 179.501 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . 0.552 ' HG ' ' O ' ' A' ' 118' ' ' ALA . 64.4 mt -52.17 -50.58 61.56 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.879 -0.6 . . . . 73.43 111.735 -176.161 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 11.6 ptm180 -66.74 -20.88 66.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 74.44 111.48 -174.193 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 8.5 t -78.98 -29.26 43.73 Favored 'General case' 0 C--N 1.327 -0.397 0 C-N-CA 120.928 -0.309 . . . . 71.45 110.579 178.207 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 79.8 m-85 -81.47 -61.57 1.9 Allowed 'General case' 0 CA--C 1.516 -0.338 0 CA-C-O 120.941 0.4 . . . . 72.04 110.374 -179.704 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 126' ' ' ILE . . . . . 0.446 HD13 ' O ' ' A' ' 122' ' ' LEU . 0.3 OUTLIER -114.84 137.29 48.76 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.68 0 CA-C-N 115.942 -0.572 . . . . 71.5 109.581 179.583 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -122.05 140.75 52.12 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-O 121.437 0.637 . . . . 54.13 111.36 -177.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 94.4 m-85 -136.48 146.58 46.45 Favored 'General case' 0 C--N 1.316 -0.86 0 CA-C-N 115.363 -0.835 . . . . 74.51 109.06 177.794 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 30.1 mmtp -72.34 130.76 41.51 Favored 'General case' 0 C--N 1.32 -0.694 0 C-N-CA 120.442 -0.503 . . . . 73.14 110.337 -178.118 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 51.4 m-20 64.57 18.87 11.6 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 114.807 -1.088 . . . . 72.2 110.895 -172.267 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . -86.32 49.22 4.05 Favored Glycine 0 N--CA 1.45 -0.418 0 N-CA-C 110.172 -1.171 . . . . 72.42 110.172 171.204 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -76.8 148.83 36.38 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.001 -0.599 . . . . 74.51 111.902 -171.462 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 35.2 m -108.99 143.1 19.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 115.852 -0.613 . . . . 64.0 109.921 177.435 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 6.8 mp -123.62 80.79 1.83 Allowed 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.067 0.46 . . . . 75.44 110.216 178.65 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 3.9 p -106.46 150.78 39.94 Favored Pre-proline 0 C--N 1.321 -0.649 0 CA-C-N 115.908 -0.587 . . . . 72.43 110.365 179.05 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 136' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_endo -75.76 54.35 3.97 Favored 'Trans proline' 0 C--N 1.344 0.34 0 C-N-CA 122.866 2.377 . . . . 74.55 112.82 -177.765 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 68.9 mt -69.56 -35.63 75.57 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.666 -0.697 . . . . 72.02 110.584 179.283 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 7.3 tmtt? -134.75 86.09 34.37 Favored Pre-proline 0 C--N 1.326 -0.453 0 N-CA-C 109.287 -0.635 . . . . 74.42 109.287 177.556 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 4.6 Cg_exo -79.14 -72.1 0.01 OUTLIER 'Trans proline' 0 N--CA 1.46 -0.48 0 C-N-CA 122.99 2.46 . . . . 65.24 112.119 178.486 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.072 0 CA-C-O 118.645 -0.693 . . . . 62.24 110.161 -179.115 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 41.4 m . . . . . 0 N--CA 1.475 0.786 0 CA-C-O 120.918 0.39 . . . . 74.42 111.209 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . 0.473 ' OD2' ' HE3' ' A' ' 51' ' ' LYS . 8.7 p-10 -133.63 111.95 12.63 Favored Pre-proline 0 C--N 1.328 -0.359 0 CA-C-O 121.223 0.535 . . . . 72.11 109.734 176.067 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 91.5 Cg_endo -80.95 -8.64 13.17 Favored 'Trans proline' 0 N--CA 1.461 -0.429 0 C-N-CA 122.281 1.988 . . . . 74.42 111.906 179.496 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.936 ' HA ' ' HE2' ' A' ' 51' ' ' LYS . 10.2 mmpt? 68.2 -3.41 1.28 Allowed 'General case' 0 N--CA 1.468 0.459 0 CA-C-N 115.38 -0.827 . . . . 71.44 111.455 -177.487 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.456 ' C ' ' H ' ' A' ' 54' ' ' MET . 11.2 tppt? -66.26 112.33 3.92 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.289 -0.414 . . . . 74.11 110.101 -178.604 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 72.8 mmtt 71.95 -15.72 0.44 Allowed 'General case' 0 N--CA 1.47 0.553 0 O-C-N 123.912 0.757 . . . . 71.5 111.536 179.543 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' MET . . . . . 0.456 ' H ' ' C ' ' A' ' 52' ' ' LYS . 95.7 mmm -86.59 64.39 8.5 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.436 0.636 . . . . 75.14 110.288 177.927 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 74.1 m -140.64 -177.09 4.9 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.186 -0.916 . . . . 72.34 110.173 -178.611 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 28.5 mtpp -117.31 30.15 7.47 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.115 0.484 . . . . 75.14 110.278 -177.246 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -84.9 25.07 0.97 Allowed 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.824 -0.625 . . . . 71.21 110.425 -175.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -76.04 -19.96 58.19 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.15 -0.477 . . . . 75.13 111.326 -176.186 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.453 ' HA ' ' HD3' ' A' ' 60' ' ' PRO . 5.5 pt -91.42 139.19 25.22 Favored Pre-proline 0 C--N 1.321 -0.646 0 CA-C-N 115.977 -0.556 . . . . 64.43 111.774 -173.088 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . 0.453 ' HD3' ' HA ' ' A' ' 59' ' ' ILE . 25.5 Cg_exo -63.87 -24.3 68.03 Favored 'Trans proline' 0 C--N 1.346 0.409 0 C-N-CA 123.169 2.58 . . . . 71.14 112.24 -179.904 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 3.7 pt20 -107.63 103.81 50.55 Favored Pre-proline 0 C--N 1.326 -0.428 0 CA-C-N 116.09 -0.504 . . . . 73.14 109.727 175.021 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . 0.65 ' HB3' ' HB1' ' A' ' 67' ' ' ALA . 46.0 Cg_exo -57.31 115.94 2.86 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 123.223 2.615 . . . . 73.43 113.482 -175.122 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 64.7 mmtt -92.39 1.14 57.41 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.951 -0.568 . . . . 72.14 110.969 175.709 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . 0.598 ' HB3' HG12 ' A' ' 115' ' ' ILE . 0.0 OUTLIER -122.87 145.51 48.38 Favored 'General case' 0 C--O 1.239 0.533 0 CA-C-O 121.684 0.754 . . . . 75.34 111.074 -178.821 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' THR . . . . . 0.413 HG21 HD11 ' A' ' 122' ' ' LEU . 12.4 p -67.42 -13.29 61.89 Favored 'General case' 0 C--N 1.316 -0.883 0 CA-C-N 114.498 -1.228 . . . . 72.41 110.734 177.421 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 86.3 t -67.52 -48.21 77.78 Favored 'Isoleucine or valine' 0 C--O 1.233 0.196 0 CA-C-N 115.994 -0.548 . . . . 65.25 110.503 179.777 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . 0.65 ' HB1' ' HB3' ' A' ' 62' ' ' PRO . . . -63.19 -37.97 89.34 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.086 -0.507 . . . . 72.54 109.99 176.712 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 73.5 mmm -57.81 -40.58 80.29 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.619 -0.719 . . . . 72.1 110.879 175.428 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.742 HD13 ' HH ' ' A' ' 78' ' ' TYR . 4.4 mt -63.89 -34.36 77.78 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.02 -0.536 . . . . 75.51 111.427 179.308 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . 0.51 ' ND2' HD13 ' A' ' 76' ' ' LEU . 1.2 m-80 -70.7 -20.91 62.63 Favored 'General case' 0 N--CA 1.467 0.393 0 CA-C-O 121.337 0.589 . . . . 61.34 110.031 -178.545 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 21.2 mm-40 -78.31 -32.29 49.26 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.479 -0.782 . . . . 74.14 110.443 176.387 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 90.7 mt -90.15 -50.68 5.86 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.003 -0.544 . . . . 74.24 111.867 -174.818 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . 0.492 ' HG3' ' CZ ' ' A' ' 125' ' ' PHE . 1.8 mmp_? -137.84 164.06 29.88 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.133 0.492 . . . . 74.13 111.278 -175.016 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 1.7 p-80 -126.05 166.91 16.11 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.735 -0.666 . . . . 75.54 109.372 173.489 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 85.16 25.66 39.54 Favored Glycine 0 N--CA 1.448 -0.531 0 C-N-CA 120.215 -0.993 . . . . 63.41 111.236 -176.269 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.797 ' H ' HD23 ' A' ' 76' ' ' LEU . 1.7 pt? -95.24 118.62 32.34 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.107 0.48 . . . . 71.3 110.099 -179.778 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 4.3 mp -114.61 114.71 47.38 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 CA-C-N 115.863 -0.608 . . . . 71.22 110.527 -178.534 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . 0.742 ' HH ' HD13 ' A' ' 69' ' ' LEU . 95.0 m-85 -88.85 124.0 33.77 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.281 -0.418 . . . . 74.45 110.187 177.605 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 17.3 ptpt -136.15 135.74 39.47 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 116.096 -0.502 . . . . 75.1 110.875 -178.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 45.0 tp -76.48 103.0 6.25 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 109.125 -0.694 . . . . 74.41 109.125 174.359 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -92.4 -22.98 19.35 Favored 'General case' 0 C--N 1.325 -0.466 0 C-N-CA 120.883 -0.327 . . . . 74.31 111.694 -175.732 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' SER . . . . . 0.509 ' HB2' ' HB ' ' A' ' 93' ' ' THR . 48.5 m -150.13 144.6 25.8 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 120.863 0.363 . . . . 73.22 111.022 -179.316 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 19.5 tm0? -146.12 120.12 9.39 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 109.496 -0.557 . . . . 63.42 109.496 177.889 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 7.4 p -147.15 155.46 42.15 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.295 -0.412 . . . . 73.13 110.854 -179.048 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 120.23 175.71 15.62 Favored Glycine 0 N--CA 1.449 -0.466 0 C-N-CA 120.587 -0.816 . . . . 63.01 112.816 176.909 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo -73.02 153.68 52.39 Favored 'Trans proline' 0 C--O 1.222 -0.302 0 C-N-CA 123.213 2.609 . . . . 74.21 111.443 178.341 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 29.5 m -68.59 -21.49 26.12 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 N-CA-C 112.122 0.416 . . . . 75.24 112.122 -177.017 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 37.3 p-80 -78.12 -33.17 50.68 Favored 'General case' 0 C--O 1.232 0.155 0 C-N-CA 120.784 -0.366 . . . . 75.44 110.872 179.385 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -147.71 72.48 11.56 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.321 -0.4 . . . . 74.13 110.499 179.488 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . 0.494 ' O ' ' HA ' ' A' ' 108' ' ' ARG . 1.0 OUTLIER -81.71 164.04 18.48 Favored 'Trans proline' 0 N--CA 1.454 -0.832 0 C-N-CA 122.692 2.261 . . . . 53.43 112.662 -175.989 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -112.18 119.01 36.92 Favored 'General case' 0 C--N 1.32 -0.716 0 N-CA-C 108.896 -0.779 . . . . 74.21 108.896 175.725 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . 0.431 ' O ' ' HA ' ' A' ' 106' ' ' GLN . 69.0 m-85 -106.0 135.25 47.79 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 115.474 -0.784 . . . . 72.15 109.842 179.732 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' THR . . . . . 0.509 ' HB ' ' HB2' ' A' ' 82' ' ' SER . 38.7 m -117.58 101.72 8.59 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 121.129 0.49 . . . . 74.11 110.044 -178.493 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . 0.519 HG23 ' HA ' ' A' ' 114' ' ' ARG . 6.3 mm -99.33 129.43 49.82 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 CA-C-N 115.591 -0.731 . . . . 74.25 109.628 179.454 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' SER . . . . . 0.557 ' HB2' ' HD3' ' A' ' 102' ' ' LYS . 2.2 p -108.86 144.21 37.04 Favored 'General case' 0 C--N 1.314 -0.957 0 CA-C-N 116.362 -0.381 . . . . 42.04 110.115 174.311 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . 0.438 HG12 ' HB3' ' A' ' 117' ' ' ALA . 7.6 p -136.89 126.07 36.75 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.829 0 CA-C-O 121.099 0.476 . . . . 71.53 110.298 175.67 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . 0.476 ' HA ' ' HA ' ' A' ' 102' ' ' LYS . 25.7 tt0 -94.36 114.46 26.51 Favored 'General case' 0 C--N 1.315 -0.908 0 N-CA-C 109.094 -0.706 . . . . 63.13 109.094 177.368 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 30.0 t -123.0 116.86 49.96 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.83 0 CA-C-N 115.75 -0.659 . . . . 70.5 110.149 -175.819 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 14.4 t70 62.57 21.61 12.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.607 -0.724 . . . . 73.42 110.683 178.755 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 107.44 -28.65 12.04 Favored Glycine 0 N--CA 1.449 -0.478 0 C-N-CA 120.81 -0.709 . . . . 63.44 112.37 179.36 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 12.5 mm-40 -86.24 129.18 34.94 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 120.984 0.421 . . . . 73.53 111.053 -179.151 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . 0.557 ' HD3' ' HB2' ' A' ' 95' ' ' SER . 0.7 OUTLIER -96.96 110.56 23.06 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.886 -0.597 . . . . 72.1 109.905 -177.767 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 70.8 m-85 -98.41 164.67 12.19 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.988 -0.551 . . . . 74.41 110.066 -178.719 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 12.0 tp -133.33 145.34 50.32 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.659 0.266 . . . . 74.43 110.777 -177.057 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . 0.443 ' HA3' ' N ' ' A' ' 117' ' ' ALA . . . -141.75 135.9 7.04 Favored Glycine 0 N--CA 1.447 -0.626 0 N-CA-C 111.538 -0.625 . . . . 72.13 111.538 176.279 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . 0.431 ' HA ' ' O ' ' A' ' 92' ' ' PHE . 23.5 mt-30 -122.14 119.59 31.74 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 120.746 0.307 . . . . 74.13 110.659 -176.78 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -136.63 174.78 21.4 Favored Glycine 0 N--CA 1.449 -0.49 0 C-N-CA 120.853 -0.689 . . . . 63.02 112.426 -177.587 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . 0.494 ' HA ' ' O ' ' A' ' 90' ' ' PRO . 28.9 mmt180 -84.12 5.64 25.42 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.177 0.513 . . . . 73.03 111.28 -178.182 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' SER . . . . . 0.539 ' HB2' HG22 ' A' ' 112' ' ' VAL . 27.2 m -159.55 161.79 35.29 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 108.672 -0.862 . . . . 74.43 108.672 -179.667 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 95.9 mttt -59.96 -37.13 78.69 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.425 0.631 . . . . 73.24 109.937 178.38 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 9.7 tmtt? -63.57 -45.84 88.63 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.194 -0.912 . . . . 71.43 110.862 178.303 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . 0.539 HG22 ' HB2' ' A' ' 109' ' ' SER . 27.6 t -63.82 -53.35 45.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.148 -0.478 . . . . 73.14 110.536 -179.156 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -58.13 -38.84 77.29 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.597 -0.729 . . . . 71.1 111.806 -175.846 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 114' ' ' ARG . . . . . 0.519 ' HA ' HG23 ' A' ' 94' ' ' ILE . 9.1 ttp180 -58.1 -44.89 87.92 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 121.369 0.604 . . . . 73.35 110.39 178.006 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 115' ' ' ILE . . . . . 0.598 HG12 ' HB3' ' A' ' 64' ' ' ASN . 60.9 mt -69.37 -44.88 79.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-N 115.512 -0.767 . . . . 75.44 111.621 179.513 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . 0.465 ' HG2' ' O ' ' A' ' 112' ' ' VAL . 8.2 mm-40 -58.58 -36.2 73.58 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.956 0.407 . . . . 75.42 111.194 178.513 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . 0.443 ' N ' ' HA3' ' A' ' 105' ' ' GLY . . . -63.51 -43.75 96.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.116 -0.493 . . . . 72.31 110.619 176.836 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -69.61 -29.59 67.14 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.686 -0.688 . . . . 75.2 111.138 -179.404 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -62.83 -45.37 92.91 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.033 0.444 . . . . 75.53 110.612 178.303 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 28.5 m -59.95 -36.47 77.17 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.808 -0.633 . . . . 63.33 110.527 176.358 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -66.28 -47.5 73.45 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.712 -0.676 . . . . 61.4 111.333 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . 0.413 HD11 HG21 ' A' ' 65' ' ' THR . 30.4 mt -59.0 -46.72 87.47 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.607 -0.269 . . . . 74.33 111.451 -177.914 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 25.2 ptt180 -68.63 -19.29 64.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.069 0.461 . . . . 75.43 110.587 -177.385 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 34.6 t -72.96 -30.63 63.99 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.053 -0.521 . . . . 73.04 110.332 176.875 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 125' ' ' PHE . . . . . 0.492 ' CZ ' ' HG3' ' A' ' 73' ' ' ARG . 60.7 m-85 -85.88 -58.29 2.71 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.115 -0.493 . . . . 70.22 110.462 179.712 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 126' ' ' ILE . . . . . 0.408 HD13 ' H ' ' A' ' 126' ' ' ILE . 0.2 OUTLIER -126.78 137.23 58.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-O 121.282 0.563 . . . . 75.24 111.271 -177.276 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 127' ' ' GLN . . . . . 0.429 ' NE2' ' HA ' ' A' ' 127' ' ' GLN . 6.7 mm-40 -145.58 135.52 23.62 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.823 -0.626 . . . . 72.43 110.966 175.697 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 70.1 m-85 -119.27 19.25 12.85 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 115.1 -0.955 . . . . 70.2 108.795 176.798 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . 0.424 ' HG3' ' N ' ' A' ' 130' ' ' ASP . 14.8 tppt? -155.19 173.5 16.53 Favored 'General case' 0 N--CA 1.451 -0.425 0 CA-C-N 114.858 -1.064 . . . . 72.42 108.92 -174.427 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 130' ' ' ASP . . . . . 0.424 ' N ' ' HG3' ' A' ' 129' ' ' LYS . 3.7 m-20 -58.1 -45.61 86.92 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 109.246 -0.65 . . . . 65.4 109.246 172.519 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 72.89 7.7 71.06 Favored Glycine 0 C--N 1.333 0.376 0 CA-C-N 115.124 -0.944 . . . . 64.34 113.335 174.569 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -144.11 158.98 43.4 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 120.913 0.387 . . . . 73.11 111.044 -177.036 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 15.5 m -125.4 126.74 71.12 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 CA-C-N 115.631 -0.713 . . . . 71.02 109.275 173.815 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 89.0 mt -85.33 83.28 8.02 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.463 0.649 . . . . 74.5 111.417 -175.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 135' ' ' SER . . . . . 0.468 ' HB3' ' HD2' ' A' ' 136' ' ' PRO . 32.7 m -106.48 164.26 15.27 Favored Pre-proline 0 C--N 1.318 -0.802 0 CA-C-N 115.205 -0.907 . . . . 75.04 109.101 175.082 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 136' ' ' PRO . . . . . 0.468 ' HD2' ' HB3' ' A' ' 135' ' ' SER . 43.8 Cg_endo -69.55 70.78 1.45 Allowed 'Trans proline' 0 C--N 1.344 0.316 0 C-N-CA 122.391 2.061 . . . . 74.4 111.822 176.33 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 137' ' ' LEU . . . . . 0.699 HD13 ' HG3' ' A' ' 138' ' ' LYS . 3.2 pp -91.17 -20.09 22.36 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.797 -0.638 . . . . 74.23 110.355 -178.722 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 138' ' ' LYS . . . . . 0.699 ' HG3' HD13 ' A' ' 137' ' ' LEU . 68.6 mttm -102.42 103.28 30.38 Favored Pre-proline 0 C--N 1.329 -0.32 0 N-CA-C 108.939 -0.764 . . . . 71.21 108.939 172.539 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 2.4 Cg_endo -80.52 100.63 1.25 Allowed 'Trans proline' 0 N--CA 1.452 -0.934 0 C-N-CA 122.771 2.314 . . . . 61.21 111.909 -176.444 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.898 0 CA-C-O 118.711 -0.662 . . . . 74.34 109.955 177.813 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 13.9 m . . . . . 0 N--CA 1.477 0.924 0 CA-C-O 120.936 0.398 . . . . 62.2 110.242 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . 0.407 ' C ' ' H ' ' A' ' 51' ' ' LYS . 33.6 m-20 -110.98 164.13 15.64 Favored Pre-proline 0 C--N 1.322 -0.623 0 CA-C-N 116.282 -0.417 . . . . 72.42 109.913 -179.194 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 11.8 Cg_exo -71.97 38.44 0.36 Allowed 'Trans proline' 0 C--N 1.347 0.453 0 C-N-CA 123.267 2.645 . . . . 62.5 112.781 179.455 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.407 ' H ' ' C ' ' A' ' 49' ' ' ASP . 57.0 mtpt -78.63 76.69 5.13 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.931 0.396 . . . . 71.11 110.329 178.555 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 71.5 mmtt -72.48 120.86 18.68 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.931 -0.577 . . . . 74.52 109.815 -179.043 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 25.5 tptp -104.89 125.88 51.38 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.133 -0.485 . . . . 73.34 110.187 -178.15 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 11.7 tmm? -120.92 131.96 54.67 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 109.612 -0.514 . . . . 74.23 109.612 178.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 46.2 t -164.7 165.79 20.54 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 108.981 -0.748 . . . . 72.45 108.981 179.418 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.53 ' HD2' ' H ' ' A' ' 56' ' ' LYS . 0.0 OUTLIER -121.64 128.55 52.02 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.357 0.599 . . . . 71.55 110.838 179.906 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -132.29 177.75 7.34 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.571 -0.741 . . . . 73.34 109.455 175.447 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 88.4 mtm180 -91.31 128.15 37.03 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.0 0.429 . . . . 74.21 110.783 179.517 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 69.0 mt -113.64 93.96 30.46 Favored Pre-proline 0 C--N 1.323 -0.579 0 CA-C-N 115.903 -0.59 . . . . 73.13 109.688 177.422 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 96.1 Cg_endo -93.23 154.65 2.56 Favored 'Trans proline' 0 N--CA 1.455 -0.79 0 C-N-CA 122.814 2.343 . . . . 71.22 113.332 -177.546 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 25.7 mt-30 -138.03 87.95 15.99 Favored Pre-proline 0 C--N 1.325 -0.498 0 CA-C-N 115.911 -0.586 . . . . 75.31 110.361 174.275 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 13.3 Cg_exo -69.37 -70.49 0.02 OUTLIER 'Trans proline' 0 C--N 1.342 0.231 0 C-N-CA 122.723 2.282 . . . . 73.2 111.38 178.456 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.667 ' HA ' ' HE3' ' A' ' 63' ' ' LYS . 1.2 tpmt? -131.37 87.03 2.41 Favored 'General case' 0 N--CA 1.449 -0.499 0 N-CA-C 109.073 -0.714 . . . . 72.15 109.073 174.348 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . 0.462 ' ND2' ' HB ' ' A' ' 66' ' ' VAL . 16.8 p-10 -83.13 142.23 31.39 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.777 -0.647 . . . . 72.2 110.037 178.107 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 41.4 p -57.19 -27.33 61.85 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 115.028 -0.987 . . . . 74.54 111.051 -179.671 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.462 ' HB ' ' ND2' ' A' ' 64' ' ' ASN . 35.3 t -56.97 -46.88 84.09 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-N 115.453 -0.794 . . . . 71.24 110.49 175.615 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . 0.598 ' O ' ' HG3' ' A' ' 71' ' ' GLU . . . -68.53 -39.83 80.98 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.976 -0.557 . . . . 74.5 109.981 178.148 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' MET . . . . . 0.423 ' HB2' HD12 ' A' ' 122' ' ' LEU . 80.6 mmm -56.27 -43.4 78.72 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 115.65 -0.705 . . . . 73.24 111.272 177.614 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.869 ' HB3' HD12 ' A' ' 76' ' ' LEU . 1.5 mt -63.14 -34.62 78.01 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.189 -0.46 . . . . 74.22 110.837 179.513 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 26.9 m-80 -72.52 -16.89 61.77 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.152 0.501 . . . . 74.54 110.143 178.885 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.598 ' HG3' ' O ' ' A' ' 67' ' ' ALA . 40.1 mt-10 -91.02 -17.66 25.9 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.722 -0.672 . . . . 70.5 110.445 178.098 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 61.2 mt -101.41 -69.11 0.79 Allowed 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.925 -0.58 . . . . 72.44 111.405 -178.631 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 21.5 mmm180 -132.31 109.01 9.58 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.114 -0.494 . . . . 73.43 110.704 -172.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 9.5 p-80 -81.29 159.88 24.34 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 109.48 -0.563 . . . . 74.12 109.48 176.365 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 99.31 24.75 9.97 Favored Glycine 0 N--CA 1.446 -0.65 0 N-CA-C 110.16 -1.176 . . . . 38.13 110.16 -168.295 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.869 HD12 ' HB3' ' A' ' 69' ' ' LEU . 1.7 pt? -97.42 117.01 30.72 Favored 'General case' 0 N--CA 1.448 -0.542 0 CA-C-N 114.612 -0.794 . . . . 74.53 110.17 -179.396 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . 0.44 ' O ' ' HA ' ' A' ' 96' ' ' VAL . 4.2 mp -111.71 106.07 20.04 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.681 0 CA-C-N 116.507 -0.315 . . . . 72.24 110.865 -179.803 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . 0.663 ' HH ' HD13 ' A' ' 69' ' ' LEU . 81.4 m-85 -83.4 140.85 32.15 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 109.28 -0.637 . . . . 72.25 109.28 174.332 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 8.1 ptpp? -151.02 151.44 32.05 Favored 'General case' 0 C--N 1.317 -0.832 0 N-CA-C 109.807 -0.442 . . . . 70.32 109.807 176.797 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 41.0 tp -91.55 106.28 18.37 Favored 'General case' 0 C--N 1.318 -0.782 0 N-CA-C 108.978 -0.749 . . . . 70.21 108.978 179.002 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -89.26 -24.1 22.17 Favored 'General case' 0 C--N 1.324 -0.528 0 C-N-CA 120.095 -0.642 . . . . 64.25 111.391 -175.888 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 62.2 m -157.21 150.56 23.96 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.675 0.274 . . . . 44.32 111.327 179.704 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 21.8 tm0? -143.64 117.47 9.33 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 109.133 -0.692 . . . . 73.2 109.133 175.323 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 19.3 p -145.91 141.25 27.61 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.474 -0.33 . . . . 74.11 111.21 -176.359 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 141.84 176.03 15.76 Favored Glycine 0 N--CA 1.45 -0.42 0 C-N-CA 120.29 -0.957 . . . . 65.44 112.991 174.846 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 59.0 Cg_endo -71.46 171.06 16.97 Favored 'Trans proline' 0 C--N 1.343 0.25 0 C-N-CA 123.004 2.469 . . . . 74.11 111.814 176.221 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 23.7 m -81.12 -18.78 11.67 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 C-N-CA 120.784 -0.366 . . . . 75.23 111.937 -178.391 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 32.9 p-80 -84.33 -27.95 27.41 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.948 0.404 . . . . 73.21 110.522 179.241 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -150.9 75.25 8.35 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-N 116.119 -0.491 . . . . 63.44 110.554 177.652 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . 0.499 ' O ' ' HA ' ' A' ' 108' ' ' ARG . 63.9 Cg_endo -78.96 156.42 26.76 Favored 'Trans proline' 0 N--CA 1.456 -0.698 0 C-N-CA 122.214 1.943 . . . . 75.34 111.547 179.652 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.467 HD13 ' HB3' ' A' ' 106' ' ' GLN . 22.7 tp -111.78 133.37 54.05 Favored 'General case' 0 C--N 1.315 -0.899 0 CA-C-O 121.092 0.472 . . . . 73.13 109.863 176.685 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . 0.439 ' O ' ' HA ' ' A' ' 106' ' ' GLN . 12.1 m-85 -117.28 138.72 51.56 Favored 'General case' 0 C--N 1.312 -1.037 0 N-CA-C 108.752 -0.832 . . . . 74.12 108.752 178.233 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' THR . . . . . 0.423 HG21 HD11 ' A' ' 104' ' ' LEU . 26.9 m -120.08 103.4 9.25 Favored 'General case' 0 C--N 1.316 -0.884 0 CA-C-O 121.12 0.485 . . . . 71.42 110.26 -176.573 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . 0.434 HG21 ' HA ' ' A' ' 114' ' ' ARG . 9.6 mm -101.37 131.42 49.18 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-N 115.356 -0.838 . . . . 73.43 110.202 -177.899 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' SER . . . . . 0.572 ' CB ' ' HD3' ' A' ' 102' ' ' LYS . 1.6 p -112.95 113.93 26.19 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-N 115.661 -0.699 . . . . 54.53 110.731 178.608 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . 0.574 ' HB ' ' CD2' ' A' ' 78' ' ' TYR . 7.1 p -107.72 127.35 63.81 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-O 121.144 0.497 . . . . 72.11 109.863 177.05 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 11.4 tt0 -104.16 113.37 26.87 Favored 'General case' 0 C--N 1.313 -0.993 0 CA-C-N 116.124 -0.489 . . . . 75.44 110.135 -178.387 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 22.1 t -125.68 126.25 69.89 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.633 0 CA-C-N 115.406 -0.816 . . . . 75.51 110.33 -177.82 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 56.85 31.1 19.01 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 114.884 -1.053 . . . . 70.24 111.705 179.334 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 80.27 16.51 76.14 Favored Glycine 0 N--CA 1.45 -0.409 0 C-N-CA 120.624 -0.798 . . . . 72.5 112.343 -179.831 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' GLN . . . . . 0.435 ' HA ' ' NE2' ' A' ' 101' ' ' GLN . 13.0 mm-40 -122.16 120.89 35.55 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.201 0.524 . . . . 74.31 110.468 176.662 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . 0.572 ' HD3' ' CB ' ' A' ' 95' ' ' SER . 0.7 OUTLIER -90.74 107.48 19.21 Favored 'General case' 0 C--N 1.316 -0.885 0 CA-C-N 115.514 -0.767 . . . . 71.44 110.378 -177.76 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' TYR . . . . . 0.435 ' HB3' ' HB ' ' A' ' 120' ' ' THR . 74.1 m-85 -96.1 133.47 40.32 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.445 -0.798 . . . . 72.11 109.701 -179.931 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . 0.423 HD11 HG21 ' A' ' 93' ' ' THR . 12.2 tp -103.88 143.88 32.26 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 116.288 -0.415 . . . . 70.25 111.229 -176.619 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . 0.483 ' HA3' ' N ' ' A' ' 117' ' ' ALA . . . -140.29 130.1 4.48 Favored Glycine 0 N--CA 1.445 -0.72 0 N-CA-C 111.195 -0.762 . . . . 75.43 111.195 175.658 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . 0.467 ' HB3' HD13 ' A' ' 91' ' ' LEU . 23.0 mt-30 -119.29 117.01 27.43 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 120.945 0.402 . . . . 75.04 110.321 -176.285 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -134.11 -172.41 12.85 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 121.041 -0.6 . . . . 64.52 111.999 -175.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . 0.499 ' HA ' ' O ' ' A' ' 90' ' ' PRO . 10.8 mmt180 -89.14 -3.73 58.52 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.098 0.475 . . . . 70.5 110.821 -175.552 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 44.2 m -160.46 169.3 23.3 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 109.089 -0.708 . . . . 72.14 109.089 -176.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 93.7 mttt -57.06 -44.11 82.71 Favored 'General case' 0 N--CA 1.463 0.181 0 CA-C-O 121.194 0.521 . . . . 65.11 109.855 178.539 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 13.3 tmtt? -62.89 -48.12 80.36 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.053 -0.976 . . . . 71.3 110.321 -177.657 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . 0.591 ' O ' ' HG2' ' A' ' 116' ' ' GLU . 32.1 t -62.62 -50.62 79.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 116.014 -0.539 . . . . 73.24 110.617 179.453 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -62.0 -39.45 92.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.086 -0.506 . . . . 75.13 111.601 -176.621 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 114' ' ' ARG . . . . . 0.434 ' HA ' HG21 ' A' ' 94' ' ' ILE . 14.6 ttm180 -62.24 -41.94 98.88 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.076 -0.511 . . . . 73.03 110.335 179.435 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 68.5 mt -62.14 -49.43 84.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 115.835 -0.621 . . . . 72.54 110.781 174.68 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . 0.591 ' HG2' ' O ' ' A' ' 112' ' ' VAL . 55.7 mm-40 -57.85 -37.49 73.96 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.603 -0.271 . . . . 64.22 111.446 179.568 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . 0.483 ' N ' ' HA3' ' A' ' 105' ' ' GLY . . . -63.51 -49.53 73.17 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.089 0.471 . . . . 64.14 110.9 177.179 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . 0.463 ' O ' ' HG ' ' A' ' 122' ' ' LEU . . . -65.56 -31.7 72.89 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.665 -0.698 . . . . 73.53 111.152 -179.415 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -61.72 -43.14 99.42 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.202 -0.454 . . . . 70.13 110.499 178.21 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 120' ' ' THR . . . . . 0.435 ' HB ' ' HB3' ' A' ' 103' ' ' TYR . 24.7 m -60.22 -39.83 88.05 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.929 -0.578 . . . . 75.04 110.416 176.863 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -63.31 -50.36 70.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.942 -0.572 . . . . 74.03 110.722 178.21 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . 0.463 ' HG ' ' O ' ' A' ' 118' ' ' ALA . 47.7 mt -57.86 -49.75 75.64 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.145 -0.48 . . . . 64.45 111.19 -177.909 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 13.8 ptm180 -70.18 -13.93 62.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.315 -0.402 . . . . 65.14 111.124 -175.336 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 3.1 t -85.66 -26.22 26.12 Favored 'General case' 0 N--CA 1.449 -0.499 0 N-CA-C 109.566 -0.531 . . . . 64.34 109.566 177.679 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 25.2 m-85 -80.32 -57.08 3.77 Favored 'General case' 0 CA--C 1.52 -0.175 0 CA-C-O 121.233 0.54 . . . . 62.0 110.201 177.895 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -133.23 147.03 31.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 115.526 -0.761 . . . . 73.43 111.324 -174.839 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 15.4 mm-40 -153.24 128.01 9.5 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.453 -0.794 . . . . 54.41 109.996 174.215 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 34.3 m-85 -88.38 -15.14 36.36 Favored 'General case' 0 C--N 1.319 -0.734 0 N-CA-C 108.647 -0.871 . . . . 73.23 108.647 177.7 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 51.2 mttp -109.52 -165.77 1.04 Allowed 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 114.513 -1.221 . . . . 65.32 108.952 173.507 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 -74.97 -33.75 61.92 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 121.383 0.611 . . . . 71.21 109.574 176.101 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 77.31 15.31 81.63 Favored Glycine 0 N--CA 1.446 -0.648 0 CA-C-N 115.387 -0.824 . . . . 64.01 111.518 -178.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -107.27 138.27 43.76 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 120.823 0.344 . . . . 73.14 110.419 -178.014 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 47.6 t -108.09 107.81 23.72 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.716 0 CA-C-N 116.091 -0.504 . . . . 71.42 109.999 178.754 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 42.3 tp -83.29 79.97 9.23 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.53 0.681 . . . . 73.45 110.101 -179.467 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 50.0 m -154.68 140.77 12.81 Favored Pre-proline 0 C--N 1.319 -0.727 0 CA-C-N 115.267 -0.878 . . . . 72.14 109.058 178.031 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 136' ' ' PRO . . . . . . . . . . . . . 32.9 Cg_exo -61.08 105.58 0.34 Allowed 'Trans proline' 0 C--O 1.234 0.296 0 C-N-CA 122.503 2.136 . . . . 74.32 111.483 177.197 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 91.8 mt -102.42 161.98 13.28 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 116.034 -0.53 . . . . 74.33 110.181 -177.855 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 138' ' ' LYS . . . . . 0.426 ' HD3' ' N ' ' A' ' 138' ' ' LYS . 0.0 OUTLIER -103.2 142.74 25.19 Favored Pre-proline 0 C--N 1.318 -0.785 0 CA-C-N 116.14 -0.482 . . . . 72.51 109.82 -178.582 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 85.2 Cg_endo -82.25 -173.51 1.77 Allowed 'Trans proline' 0 N--CA 1.459 -0.543 0 C-N-CA 122.38 2.053 . . . . 71.21 112.037 179.773 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.229 0 CA-C-O 118.601 -0.714 . . . . 62.23 109.801 177.006 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 49.3 m . . . . . 0 N--CA 1.478 0.933 0 CA-C-O 120.654 0.264 . . . . 74.54 110.638 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -174.05 102.46 0.29 Allowed Pre-proline 0 C--N 1.33 -0.249 0 CA-C-N 116.216 -0.447 . . . . 74.1 110.785 178.069 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 19.3 Cg_endo -90.92 119.85 0.66 Allowed 'Trans proline' 0 N--CA 1.455 -0.791 0 C-N-CA 123.368 2.712 . . . . 73.13 112.252 178.86 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 29.3 mmtp -122.34 147.27 46.47 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.33 -0.396 . . . . 74.43 110.519 -179.234 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.481 ' HB3' ' HB3' ' A' ' 55' ' ' CYS . 46.2 mtmt -86.54 85.56 7.31 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 109.664 -0.495 . . . . 75.03 109.664 177.012 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.538 ' HD2' ' O ' ' A' ' 53' ' ' LYS . 1.0 OUTLIER -76.8 125.98 30.2 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.146 -0.479 . . . . 64.4 110.468 -179.805 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' MET . . . . . 0.831 ' HE2' ' HA ' ' A' ' 54' ' ' MET . 1.2 tpt 69.88 -27.62 0.16 Allowed 'General case' 0 N--CA 1.47 0.549 0 C-N-CA 123.643 0.777 . . . . 73.31 111.497 -176.702 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . 0.52 ' H ' ' C ' ' A' ' 53' ' ' LYS . 49.6 t -81.73 52.84 2.0 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.55 0.69 . . . . 74.42 109.698 176.799 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 45.5 mtpt -109.99 99.71 8.77 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.446 -0.797 . . . . 75.13 109.934 -178.769 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.414 ' H ' ' CD ' ' A' ' 57' ' ' GLU . 5.8 pm0 -55.2 -43.04 74.07 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.486 -0.779 . . . . 75.53 110.938 179.018 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.401 ' O ' ' HD3' ' A' ' 60' ' ' PRO . 48.9 ttp180 54.91 84.39 0.07 Allowed 'General case' 0 C--O 1.233 0.214 0 O-C-N 123.803 0.69 . . . . 75.22 111.385 175.837 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.569 HG22 ' HB1' ' A' ' 67' ' ' ALA . 61.3 mt -114.34 92.58 28.2 Favored Pre-proline 0 C--N 1.323 -0.579 0 CA-C-O 120.78 0.324 . . . . 75.21 110.607 178.165 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . 0.401 ' HD3' ' O ' ' A' ' 58' ' ' ARG . 4.9 Cg_exo -79.07 134.15 11.48 Favored 'Trans proline' 0 N--CA 1.46 -0.492 0 C-N-CA 123.085 2.523 . . . . 73.44 111.3 174.205 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 15.6 mm-40 60.45 76.67 0.41 Allowed Pre-proline 0 N--CA 1.464 0.241 0 O-C-N 123.665 0.603 . . . . 71.55 110.668 -177.726 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 8.0 Cg_exo -73.31 65.44 4.43 Favored 'Trans proline' 0 C--N 1.344 0.299 0 C-N-CA 123.37 2.713 . . . . 65.11 113.048 -175.26 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 60.9 mttp -93.85 8.18 42.14 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.361 0.601 . . . . 72.45 110.319 176.766 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 21.1 p-10 -107.65 140.57 40.47 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.6 -0.727 . . . . 74.54 110.197 176.164 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' THR . . . . . 0.411 ' OG1' ' HB2' ' A' ' 118' ' ' ALA . 40.5 p -63.39 -22.79 67.09 Favored 'General case' 0 C--N 1.316 -0.86 0 CA-C-N 114.901 -1.045 . . . . 73.32 111.446 -177.293 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 47.8 t -58.91 -40.67 80.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 115.524 -0.762 . . . . 72.33 110.689 177.495 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . 0.569 ' HB1' HG22 ' A' ' 59' ' ' ILE . . . -70.96 -39.31 72.62 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.898 -0.592 . . . . 60.15 110.038 177.786 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' MET . . . . . 0.467 ' HB2' HD12 ' A' ' 122' ' ' LEU . 80.3 mmm -59.03 -44.12 91.72 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.383 -0.826 . . . . 75.31 110.718 178.214 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.752 ' HB3' HD11 ' A' ' 76' ' ' LEU . 0.9 OUTLIER -59.94 -37.98 81.09 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.811 -0.631 . . . . 72.54 111.086 -179.901 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . 0.436 ' ND2' HD13 ' A' ' 76' ' ' LEU . 20.5 m-80 -65.35 -26.43 68.02 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.937 0.399 . . . . 75.11 110.8 179.035 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 23.0 mt-10 -80.37 -24.09 40.01 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.213 -0.449 . . . . 73.23 110.747 178.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 76.2 mt -97.35 -51.79 4.04 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.362 -0.381 . . . . 74.54 111.857 -175.402 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -130.09 174.33 9.89 Favored 'General case' 0 N--CA 1.448 -0.557 0 CA-C-O 120.729 0.3 . . . . 73.24 110.829 -173.142 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 12.7 p-80 -127.93 166.71 17.8 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.129 -0.487 . . . . 73.14 110.178 176.047 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 75.51 28.65 61.12 Favored Glycine 0 N--CA 1.453 -0.171 0 C-N-CA 120.909 -0.663 . . . . 73.22 112.575 179.157 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.752 HD11 ' HB3' ' A' ' 69' ' ' LEU . 0.7 OUTLIER -85.9 98.94 11.07 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.479 0.657 . . . . 74.12 111.106 -179.138 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . 0.49 ' O ' ' HA ' ' A' ' 96' ' ' VAL . 3.6 mt -98.6 114.98 37.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-N 115.659 -0.701 . . . . 73.0 110.771 -179.642 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . 0.576 ' HH ' HD11 ' A' ' 69' ' ' LEU . 91.4 m-85 -93.79 120.67 34.36 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.609 -0.269 . . . . 62.44 110.42 177.379 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 17.3 ptpt -133.88 140.95 47.17 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-O 120.922 0.391 . . . . 75.14 110.582 178.639 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.46 HD22 ' HE2' ' A' ' 110' ' ' LYS . 47.0 tp -79.55 98.77 7.0 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 109.405 -0.591 . . . . 72.01 109.405 175.475 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -83.95 -24.88 30.47 Favored 'General case' 0 C--N 1.328 -0.369 0 C-N-CA 120.521 -0.472 . . . . 74.45 111.49 -175.663 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 70.6 m -157.83 144.35 17.74 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.871 0.367 . . . . 74.21 111.181 178.493 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 23.1 tm0? -132.64 111.5 11.24 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 108.989 -0.745 . . . . 73.3 108.989 173.079 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' THR . . . . . 0.558 ' O ' ' HB3' ' A' ' 91' ' ' LEU . 4.7 p -144.66 129.22 18.05 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.191 -0.459 . . . . 70.42 110.948 -175.416 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 164.05 177.05 36.49 Favored Glycine 0 N--CA 1.448 -0.533 0 C-N-CA 120.583 -0.818 . . . . 74.43 112.168 178.502 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 46.3 Cg_endo -70.12 166.14 29.05 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.59 2.193 . . . . 64.04 112.144 178.319 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 13.6 p -75.98 -26.07 17.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-O 120.783 0.325 . . . . 73.53 111.436 -178.388 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 39.6 p-80 -79.84 -28.33 40.1 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-O 120.839 0.352 . . . . 74.24 111.051 -179.137 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -148.78 71.57 10.48 Favored Pre-proline 0 C--N 1.328 -0.365 0 CA-C-N 116.301 -0.409 . . . . 73.41 110.705 178.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . 0.464 ' O ' ' HA ' ' A' ' 108' ' ' ARG . 37.9 Cg_endo -67.41 143.92 65.49 Favored 'Trans proline' 0 N--CA 1.464 -0.258 0 C-N-CA 122.602 2.201 . . . . 73.41 112.056 -177.14 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.558 ' HB3' ' O ' ' A' ' 84' ' ' THR . 26.4 tp -106.86 135.38 48.5 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.369 0.605 . . . . 75.22 110.651 179.625 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . 0.476 ' O ' ' HA ' ' A' ' 106' ' ' GLN . 9.6 m-85 -113.85 142.01 46.62 Favored 'General case' 0 C--N 1.316 -0.879 0 CA-C-N 115.413 -0.812 . . . . 73.42 109.185 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 11.5 m -121.11 101.97 8.01 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-O 121.001 0.429 . . . . 74.31 110.079 -178.264 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . 0.491 HG21 ' HA ' ' A' ' 114' ' ' ARG . 7.4 mm -98.76 127.67 51.12 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.75 0 CA-C-N 115.467 -0.788 . . . . 75.05 109.81 -179.761 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' SER . . . . . 0.527 ' HB2' ' HD3' ' A' ' 102' ' ' LYS . 5.0 p -106.65 131.88 53.28 Favored 'General case' 0 C--N 1.314 -0.953 0 CA-C-N 115.673 -0.694 . . . . 63.52 110.17 177.396 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . 0.49 ' HA ' ' O ' ' A' ' 77' ' ' ILE . 7.2 p -127.15 123.34 62.01 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.793 0 CA-C-O 121.319 0.58 . . . . 72.54 110.026 175.515 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 16.7 tt0 -96.5 110.48 22.86 Favored 'General case' 0 C--N 1.314 -0.944 0 CA-C-N 115.909 -0.587 . . . . 74.35 109.707 -178.292 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . 0.405 ' HB ' ' CE2' ' A' ' 103' ' ' TYR . 39.6 t -120.68 124.93 73.45 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.841 0 CA-C-N 115.689 -0.687 . . . . 73.33 110.355 -175.533 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 14.8 t70 61.58 8.84 2.45 Favored 'General case' 0 N--CA 1.468 0.427 0 CA-C-N 115.439 -0.8 . . . . 71.21 111.291 -176.305 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 105.7 -13.55 46.34 Favored Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.93 -0.652 . . . . 40.21 111.769 -177.166 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' GLN . . . . . 0.52 ' HB3' ' CE2' ' A' ' 103' ' ' TYR . 11.9 tp60 -86.07 130.11 34.63 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 108.721 -0.844 . . . . 71.14 108.721 177.076 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . 0.527 ' HD3' ' HB2' ' A' ' 95' ' ' SER . 4.0 tmmm? -94.91 106.95 18.97 Favored 'General case' 0 C--N 1.318 -0.788 0 C-N-CA 120.09 -0.644 . . . . 65.55 110.046 -179.052 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' TYR . . . . . 0.52 ' CE2' ' HB3' ' A' ' 101' ' ' GLN . 89.4 m-85 -92.54 143.76 26.02 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 115.507 -0.769 . . . . 72.34 110.003 179.826 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 12.5 tp -118.92 137.76 53.24 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 120.905 0.383 . . . . 74.53 110.731 -175.771 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . 0.44 ' HA3' ' N ' ' A' ' 117' ' ' ALA . . . -134.71 136.68 8.72 Favored Glycine 0 N--CA 1.443 -0.894 0 CA-C-N 115.743 -0.662 . . . . 52.43 111.48 178.253 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . 0.476 ' HA ' ' O ' ' A' ' 92' ' ' PHE . 29.4 mt-30 -124.99 133.28 53.06 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 110.313 -0.254 . . . . 71.23 110.313 -176.414 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -153.27 174.19 31.99 Favored Glycine 0 N--CA 1.446 -0.646 0 C-N-CA 120.952 -0.642 . . . . 73.54 111.729 -179.038 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . 0.464 ' HA ' ' O ' ' A' ' 90' ' ' PRO . 30.0 mmt180 -80.73 8.84 7.19 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 117.03 0.415 . . . . 75.35 111.8 -177.361 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 42.8 m -162.71 165.93 25.01 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 108.972 -0.751 . . . . 73.33 108.972 179.82 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . 0.46 ' HE2' HD22 ' A' ' 80' ' ' LEU . 97.8 mttt -58.22 -42.63 86.7 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 121.035 0.445 . . . . 73.32 110.168 176.878 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 51.3 tttt -58.23 -53.87 53.39 Favored 'General case' 0 N--CA 1.452 -0.332 0 CA-C-N 115.225 -0.898 . . . . 74.43 110.721 -179.384 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . 0.565 ' O ' ' HG2' ' A' ' 116' ' ' GLU . 22.0 t -59.43 -52.32 62.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 115.481 -0.781 . . . . 70.11 110.265 -178.243 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -58.2 -37.44 74.8 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.036 -0.529 . . . . 74.1 111.405 -177.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 114' ' ' ARG . . . . . 0.491 ' HA ' HG21 ' A' ' 94' ' ' ILE . 43.3 ttm180 -65.87 -46.17 79.41 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.074 -0.512 . . . . 75.05 110.649 179.057 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 63.2 mt -63.46 -45.12 98.76 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 116.029 -0.532 . . . . 75.35 111.004 176.411 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . 0.565 ' HG2' ' O ' ' A' ' 112' ' ' VAL . 49.9 mm-40 -61.58 -38.67 88.38 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 120.651 0.263 . . . . 62.11 110.821 177.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . 0.44 ' N ' ' HA3' ' A' ' 105' ' ' GLY . . . -61.33 -47.8 84.24 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-O 121.024 0.44 . . . . 72.11 110.585 176.928 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . 0.478 ' O ' ' HG ' ' A' ' 122' ' ' LEU . . . -63.6 -35.9 82.05 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.85 -0.614 . . . . 63.53 110.566 177.761 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -64.36 -35.97 82.6 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.828 -0.624 . . . . 62.23 110.59 178.008 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 120' ' ' THR . . . . . 0.522 ' HA ' ' NE ' ' A' ' 123' ' ' ARG . 50.5 m -63.6 -41.34 98.33 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.125 0.488 . . . . 72.42 110.277 176.355 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -64.59 -48.44 74.94 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.977 -0.556 . . . . 62.24 110.457 177.653 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . 0.582 ' O ' HD13 ' A' ' 126' ' ' ILE . 48.3 mt -55.54 -52.57 63.25 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.402 -0.363 . . . . 63.15 110.827 179.186 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 123' ' ' ARG . . . . . 0.522 ' NE ' ' HA ' ' A' ' 120' ' ' THR . 14.3 ptp180 -65.11 -13.6 58.45 Favored 'General case' 0 CA--C 1.534 0.336 0 CA-C-N 115.974 -0.557 . . . . 74.42 111.217 -175.162 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 64.0 m -84.19 -27.46 28.01 Favored 'General case' 0 N--CA 1.439 -1.002 0 CA-C-N 116.409 -0.36 . . . . 75.21 111.385 174.881 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 23.3 m-85 -83.48 -49.07 9.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.304 -0.407 . . . . 73.02 111.153 -176.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 126' ' ' ILE . . . . . 0.582 HD13 ' O ' ' A' ' 122' ' ' LEU . 0.2 OUTLIER -117.81 -165.94 0.37 Allowed 'Isoleucine or valine' 0 N--CA 1.45 -0.425 0 N-CA-C 109.732 -0.47 . . . . 74.23 109.732 -179.108 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 127' ' ' GLN . . . . . 0.594 ' HG2' ' H ' ' A' ' 128' ' ' PHE . 7.5 tt0 -82.51 -171.9 3.74 Favored 'General case' 0 C--N 1.315 -0.899 0 CA-C-N 116.339 -0.391 . . . . 74.25 111.232 -174.613 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 128' ' ' PHE . . . . . 0.594 ' H ' ' HG2' ' A' ' 127' ' ' GLN . 66.6 m-85 64.65 78.03 0.3 Allowed 'General case' 0 N--CA 1.466 0.326 0 C-N-CA 122.767 0.427 . . . . 74.02 110.499 -177.227 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . 0.484 ' HG2' ' O ' ' A' ' 129' ' ' LYS . 0.4 OUTLIER -146.21 77.31 1.48 Allowed 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 112.84 0.681 . . . . 73.54 112.84 -174.442 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 66.27 -63.88 0.23 Allowed 'General case' 0 N--CA 1.474 0.749 0 CA-C-N 115.755 -0.657 . . . . 73.41 112.714 172.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 104.53 0.22 43.17 Favored Glycine 0 N--CA 1.446 -0.672 0 N-CA-C 111.336 -0.705 . . . . 64.04 111.336 -173.766 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -117.8 129.78 55.88 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.671 0.272 . . . . 64.53 110.615 -179.573 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 60.0 t -115.59 107.51 22.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-N 116.355 -0.384 . . . . 73.35 110.331 -179.196 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -85.87 97.45 10.21 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 109.766 -0.457 . . . . 74.43 109.766 -179.158 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 66.9 m -156.19 153.3 25.11 Favored Pre-proline 0 C--N 1.321 -0.661 0 CA-C-N 115.537 -0.756 . . . . 75.25 109.306 176.888 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 136' ' ' PRO . . . . . . . . . . . . . 17.1 Cg_exo -67.36 89.99 0.33 Allowed 'Trans proline' 0 C--N 1.343 0.268 0 C-N-CA 122.576 2.184 . . . . 75.24 112.044 177.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 3.8 pp -160.48 149.06 16.71 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.951 -0.568 . . . . 74.51 110.504 178.252 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 5.1 mptp? -102.81 153.54 38.15 Favored Pre-proline 0 C--N 1.322 -0.603 0 CA-C-N 115.879 -0.6 . . . . 75.32 110.371 178.225 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 29.9 Cg_endo -63.95 151.91 83.17 Favored 'Trans proline' 0 C--O 1.235 0.366 0 C-N-CA 122.615 2.21 . . . . 64.31 112.331 178.209 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.034 0 CA-C-O 118.61 -0.71 . . . . 65.22 110.209 -179.86 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 23.0 p . . . . . 0 N--CA 1.478 0.953 0 CA-C-O 120.968 0.413 . . . . 72.23 110.767 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 34.6 m-20 -108.18 106.64 59.01 Favored Pre-proline 0 C--N 1.327 -0.38 0 CA-C-N 116.437 -0.347 . . . . 72.12 110.388 179.395 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 21.4 Cg_exo -65.77 -52.84 0.86 Allowed 'Trans proline' 0 C--N 1.343 0.271 0 C-N-CA 122.896 2.397 . . . . 71.45 112.215 -179.601 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.412 ' HD3' ' HA ' ' A' ' 51' ' ' LYS . 31.6 mmtm -140.28 89.85 2.32 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.209 0.528 . . . . 75.32 111.823 -178.794 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 43.4 mttp -125.45 103.29 7.81 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.393 -0.821 . . . . 73.43 109.601 171.395 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 38.5 ttmt -76.68 118.91 19.78 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 108.937 -0.764 . . . . 74.45 108.937 175.418 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' MET . . . . . 0.425 ' HE1' ' HD3' ' A' ' 56' ' ' LYS . 25.7 ttt -63.87 103.93 0.63 Allowed 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.131 -0.486 . . . . 75.5 111.308 -175.477 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 24.5 p -98.65 126.39 44.24 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.824 -0.625 . . . . 74.24 109.814 177.007 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.439 ' HD2' ' HA ' ' A' ' 56' ' ' LYS . 27.1 mmmt -87.11 151.81 22.89 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.301 -0.409 . . . . 72.33 111.297 -177.098 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.478 ' CD ' ' H ' ' A' ' 57' ' ' GLU . 1.9 mp0 -52.16 -59.61 4.18 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.265 -0.879 . . . . 72.14 110.767 -179.836 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.464 ' HE ' ' HA ' ' A' ' 58' ' ' ARG . 1.5 tpm_? -100.0 132.34 45.42 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.742 -0.663 . . . . 73.33 110.183 179.781 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 48.1 mm -115.38 91.07 27.15 Favored Pre-proline 0 C--N 1.325 -0.468 0 CA-C-O 120.972 0.415 . . . . 75.51 110.049 176.539 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 91.5 Cg_endo -95.35 -158.77 0.05 OUTLIER 'Trans proline' 0 N--CA 1.452 -0.946 0 C-N-CA 123.233 2.622 . . . . 73.24 112.466 179.526 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 25.2 mp0 -71.59 165.94 44.26 Favored Pre-proline 0 C--N 1.323 -0.562 0 CA-C-N 115.93 -0.577 . . . . 73.34 110.995 -179.006 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 12.6 Cg_exo -70.24 65.85 2.07 Favored 'Trans proline' 0 C--N 1.353 0.781 0 C-N-CA 123.211 2.607 . . . . 73.24 113.078 -179.097 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.417 ' H ' ' HG3' ' A' ' 63' ' ' LYS . 0.3 OUTLIER -79.41 -11.73 59.91 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.893 -0.594 . . . . 75.05 110.706 175.267 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . 0.412 ' N ' ' HD2' ' A' ' 63' ' ' LYS . 13.9 p-10 -116.36 136.89 52.6 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.546 0.689 . . . . 71.11 110.328 178.622 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 39.4 p -59.91 -24.79 64.6 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 114.593 -1.185 . . . . 71.52 111.605 -177.209 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 46.8 t -56.43 -44.8 81.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 115.592 -0.731 . . . . 73.01 110.881 177.823 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -68.42 -40.04 81.37 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.153 -0.476 . . . . 73.43 110.095 178.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 75.4 mmm -57.94 -40.48 80.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.376 -0.829 . . . . 74.12 111.101 179.053 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.789 ' HB3' HD12 ' A' ' 76' ' ' LEU . 1.3 mt -62.57 -41.52 98.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.956 -0.565 . . . . 75.53 111.127 -179.757 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 41.9 m-80 -61.08 -26.81 67.91 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-N 116.319 -0.4 . . . . 75.34 110.661 179.226 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 16.0 mt-10 -82.05 -26.89 33.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 73.22 111.217 179.567 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 49.6 mt -85.28 -59.67 2.26 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 111.999 0.37 . . . . 72.42 111.999 -176.114 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . 0.618 ' HG2' ' HB2' ' A' ' 99' ' ' ASP . 26.4 tpt180 -142.02 122.79 14.33 Favored 'General case' 0 N--CA 1.447 -0.613 0 C-N-CA 121.058 -0.257 . . . . 72.33 110.939 -173.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 3.3 p-80 -71.6 157.34 38.15 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.628 -0.508 . . . . 51.2 109.628 174.437 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 88.65 41.52 6.01 Favored Glycine 0 N--CA 1.444 -0.785 0 C-N-CA 120.216 -0.992 . . . . 44.15 110.885 -175.897 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.789 HD12 ' HB3' ' A' ' 69' ' ' LEU . 1.0 OUTLIER -105.11 96.91 6.86 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.398 0.618 . . . . 75.2 109.944 178.092 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . 0.535 ' O ' ' HA ' ' A' ' 96' ' ' VAL . 5.0 mp -99.16 107.27 20.26 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 CA-C-N 115.935 -0.575 . . . . 72.11 110.962 -176.826 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . 0.53 ' CD2' ' HB ' ' A' ' 96' ' ' VAL . 88.9 m-85 -85.92 127.02 34.51 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 109.582 -0.525 . . . . 75.53 109.582 175.652 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . 0.462 ' HG2' ' O ' ' A' ' 95' ' ' SER . 15.5 ptpt -134.53 132.79 39.58 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-O 120.917 0.389 . . . . 73.31 110.397 178.895 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.459 HD22 ' HE2' ' A' ' 110' ' ' LYS . 54.2 tp -78.18 99.48 6.23 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 109.158 -0.682 . . . . 74.02 109.158 175.725 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -87.33 -34.39 18.86 Favored 'General case' 0 C--N 1.321 -0.637 0 C-N-CA 120.584 -0.446 . . . . 73.2 111.257 -175.224 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' SER . . . . . 0.524 ' HB2' ' HB ' ' A' ' 93' ' ' THR . 21.8 m -139.36 142.04 37.59 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.414 -0.357 . . . . 74.44 111.071 -175.318 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 20.3 tm0? -143.83 119.37 10.37 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 109.2 -0.667 . . . . 74.54 109.2 175.406 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 9.2 p -144.12 140.06 29.21 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.528 -0.305 . . . . 73.23 111.281 -177.535 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 133.86 172.82 13.0 Favored Glycine 0 N--CA 1.445 -0.726 0 C-N-CA 120.545 -0.836 . . . . 74.32 112.75 175.685 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 57.6 Cg_endo -69.73 176.75 6.33 Favored 'Trans proline' 0 C--O 1.223 -0.226 0 C-N-CA 123.28 2.653 . . . . 72.51 111.737 176.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 27.4 m -86.01 -20.86 7.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 C-N-CA 120.78 -0.368 . . . . 75.31 111.116 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 38.6 p-80 -78.45 -24.52 46.0 Favored 'General case' 0 C--N 1.331 -0.231 0 C-N-CA 120.846 -0.341 . . . . 74.21 110.259 177.704 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -155.4 77.36 4.84 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-N 116.149 -0.478 . . . . 62.24 110.623 177.237 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . 0.489 ' O ' ' HA ' ' A' ' 108' ' ' ARG . 10.4 Cg_endo -88.07 141.85 5.28 Favored 'Trans proline' 0 N--CA 1.453 -0.859 0 C-N-CA 122.877 2.385 . . . . 72.11 112.19 -179.14 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 26.9 tp -96.63 135.05 39.08 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-O 121.483 0.658 . . . . 72.44 110.182 176.383 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 30.9 m-85 -119.18 135.77 54.51 Favored 'General case' 0 C--N 1.314 -0.959 0 CA-C-N 115.205 -0.907 . . . . 72.42 109.018 178.876 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' THR . . . . . 0.524 ' HB ' ' HB2' ' A' ' 82' ' ' SER . 16.4 m -119.24 104.04 10.05 Favored 'General case' 0 C--N 1.315 -0.9 0 CA-C-N 116.252 -0.431 . . . . 73.24 110.177 -178.055 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 6.1 mm -101.06 128.73 52.98 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.817 0 CA-C-N 115.589 -0.732 . . . . 72.41 109.881 -179.1 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' SER . . . . . 0.462 ' O ' ' HG2' ' A' ' 79' ' ' LYS . 1.4 p -110.5 121.75 46.07 Favored 'General case' 0 C--N 1.312 -1.026 0 N-CA-C 109.85 -0.426 . . . . 62.21 109.85 174.749 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . 0.535 ' HA ' ' O ' ' A' ' 77' ' ' ILE . 7.4 p -111.84 122.71 66.68 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.784 0 CA-C-O 121.42 0.629 . . . . 75.52 110.046 176.815 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . 0.474 ' HA ' ' HA ' ' A' ' 102' ' ' LYS . 12.4 tt0 -101.12 109.78 21.71 Favored 'General case' 0 C--N 1.311 -1.084 0 N-CA-C 109.122 -0.696 . . . . 75.41 109.122 178.86 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 15.0 t -115.28 122.77 69.94 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.731 0 CA-C-N 115.576 -0.738 . . . . 61.42 110.103 -175.394 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . 0.618 ' HB2' ' HG2' ' A' ' 73' ' ' ARG . 33.9 t70 60.74 8.52 1.82 Allowed 'General case' 0 N--CA 1.47 0.54 0 CA-C-N 115.703 -0.68 . . . . 72.55 111.904 -179.004 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 111.43 -9.53 28.52 Favored Glycine 0 N--CA 1.449 -0.441 0 C-N-CA 121.07 -0.586 . . . . 63.22 112.337 -177.814 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 6.2 mm-40 -96.95 124.26 40.88 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 110.37 -0.233 . . . . 73.31 110.37 177.464 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . 0.474 ' HA ' ' HA ' ' A' ' 97' ' ' GLU . 0.0 OUTLIER -95.04 116.32 28.55 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 121.038 0.447 . . . . 74.54 110.8 -177.546 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 54.1 m-85 -106.88 132.63 52.62 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.718 -0.673 . . . . 75.22 109.898 178.568 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . 0.4 HD11 HG22 ' A' ' 93' ' ' THR . 13.6 tp -102.92 141.71 35.26 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 120.759 0.314 . . . . 73.33 110.801 -176.875 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -136.39 133.08 6.37 Favored Glycine 0 N--CA 1.447 -0.591 0 C-N-CA 121.039 -0.6 . . . . 36.69 111.679 177.373 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . 0.516 ' HG2' HG21 ' A' ' 93' ' ' THR . 32.7 mt-30 -124.4 122.86 38.82 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 120.919 0.39 . . . . 74.03 111.081 -176.561 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -143.57 177.05 22.61 Favored Glycine 0 N--CA 1.449 -0.451 0 N-CA-C 111.259 -0.736 . . . . 71.33 111.259 -178.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . 0.489 ' HA ' ' O ' ' A' ' 90' ' ' PRO . 20.7 mmt180 -86.77 12.1 11.65 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 117.473 0.637 . . . . 74.1 110.712 -177.188 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' SER . . . . . 0.503 ' HB2' HG22 ' A' ' 112' ' ' VAL . 25.3 m -161.5 159.7 28.23 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 109.101 -0.703 . . . . 70.33 109.101 -179.476 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . 0.459 ' HE2' HD22 ' A' ' 80' ' ' LEU . 99.5 mttt -58.45 -43.84 88.96 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-O 121.098 0.475 . . . . 73.43 110.068 178.159 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 59.1 tttt -55.43 -52.4 63.73 Favored 'General case' 0 N--CA 1.453 -0.318 0 CA-C-N 115.119 -0.946 . . . . 71.4 110.952 178.127 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . 0.503 HG22 ' HB2' ' A' ' 109' ' ' SER . 31.3 t -61.98 -49.92 82.2 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 115.527 -0.76 . . . . 61.21 110.721 -177.69 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -58.94 -38.04 78.1 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.966 -0.561 . . . . 73.4 111.324 -178.327 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 61.2 ttt180 -65.59 -41.99 92.21 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.931 -0.577 . . . . 75.43 110.526 179.228 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 73.3 mt -63.95 -47.37 90.83 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.342 0 CA-C-N 116.049 -0.523 . . . . 74.0 111.147 175.39 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . 0.421 ' HG2' ' O ' ' A' ' 112' ' ' VAL . 5.8 mm-40 -59.43 -38.94 81.97 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.024 0.44 . . . . 64.34 111.257 179.402 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . 0.511 ' HB3' HG13 ' A' ' 96' ' ' VAL . . . -63.97 -47.23 81.2 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.034 -0.53 . . . . 64.41 110.384 177.246 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . 0.528 ' O ' ' HG ' ' A' ' 122' ' ' LEU . . . -66.39 -34.12 77.25 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.647 -0.706 . . . . 75.45 111.464 -179.393 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -61.36 -43.53 98.72 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 121.108 0.48 . . . . 63.14 110.298 178.531 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 120' ' ' THR . . . . . 0.434 ' O ' ' HG2' ' A' ' 123' ' ' ARG . 25.7 m -62.51 -38.78 91.28 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.411 -0.813 . . . . 75.41 110.361 177.373 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -61.45 -51.59 68.07 Favored 'General case' 0 N--CA 1.45 -0.437 0 CA-C-N 115.745 -0.661 . . . . 65.32 110.652 178.069 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . 0.528 ' HG ' ' O ' ' A' ' 118' ' ' ALA . 44.3 mt -54.86 -49.14 71.86 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.889 0.376 . . . . 71.55 111.025 -177.888 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 123' ' ' ARG . . . . . 0.434 ' HG2' ' O ' ' A' ' 120' ' ' THR . 3.8 ptm180 -68.63 -12.05 60.86 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.913 -0.585 . . . . 75.42 111.336 -175.718 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 25.2 t -88.79 -26.06 21.91 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.692 -0.231 . . . . 73.21 111.01 175.591 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 68.7 m-85 -82.6 -55.76 4.27 Favored 'General case' 0 CA--C 1.518 -0.288 0 CA-C-O 120.814 0.34 . . . . 65.24 110.811 -178.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 126' ' ' ILE . . . . . 0.432 HD12 ' O ' ' A' ' 122' ' ' LEU . 0.2 OUTLIER -118.71 132.6 68.1 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.545 0 CA-C-O 121.529 0.68 . . . . 74.54 110.529 -178.359 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 127' ' ' GLN . . . . . 0.507 HE21 ' N ' ' A' ' 127' ' ' GLN . 0.0 OUTLIER -131.63 -30.6 1.64 Allowed 'General case' 0 C--N 1.315 -0.921 0 CA-C-N 115.391 -0.822 . . . . 74.24 109.864 178.798 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 67.0 m-85 61.17 60.37 1.78 Allowed 'General case' 0 C--O 1.233 0.2 0 CA-C-N 115.478 -0.783 . . . . 75.02 110.209 -178.055 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . 0.422 ' HG3' ' N ' ' A' ' 130' ' ' ASP . 57.2 tptt -84.68 169.68 14.06 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 114.608 -1.178 . . . . 71.01 109.506 179.885 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 130' ' ' ASP . . . . . 0.422 ' N ' ' HG3' ' A' ' 129' ' ' LYS . 7.5 m-20 -58.7 -41.11 85.51 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.937 0.398 . . . . 70.33 110.649 178.182 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 89.54 -39.77 3.09 Favored Glycine 0 N--CA 1.45 -0.412 0 N-CA-C 111.315 -0.714 . . . . 74.01 111.315 179.636 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -78.11 131.53 37.3 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.389 -0.406 . . . . 71.53 110.208 176.222 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 9.8 m -115.17 123.41 70.75 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-O 121.001 0.429 . . . . 74.13 110.719 -179.335 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 42.7 tp -90.96 87.94 6.82 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.05 -0.523 . . . . 72.22 110.573 -178.173 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 10.5 p -169.02 142.28 2.28 Favored Pre-proline 0 C--N 1.323 -0.575 0 CA-C-N 115.388 -0.824 . . . . 75.34 109.697 179.101 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 136' ' ' PRO . . . . . . . . . . . . . 35.9 Cg_endo -66.19 90.31 0.26 Allowed 'Trans proline' 0 C--O 1.235 0.335 0 C-N-CA 122.483 2.122 . . . . 74.43 112.262 179.863 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 3.9 pp -133.36 168.31 18.83 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.973 -0.558 . . . . 74.12 110.611 -179.751 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 48.9 tptt -111.1 103.43 54.87 Favored Pre-proline 0 C--N 1.323 -0.558 0 N-CA-C 109.457 -0.572 . . . . 72.55 109.457 177.305 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 65.6 Cg_endo -74.95 137.03 21.3 Favored 'Trans proline' 0 C--O 1.236 0.399 0 C-N-CA 122.56 2.173 . . . . 74.41 112.987 -175.703 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.031 0 CA-C-O 118.551 -0.738 . . . . 73.03 109.594 174.377 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 33.1 m . . . . . 0 N--CA 1.477 0.895 0 N-CA-C 109.51 -0.552 . . . . 63.25 109.51 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -122.33 116.89 29.47 Favored Pre-proline 0 C--N 1.321 -0.646 0 CA-C-N 115.671 -0.695 . . . . 75.05 110.355 -174.36 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 21.3 Cg_exo -65.69 138.8 55.33 Favored 'Trans proline' 0 C--O 1.233 0.253 0 C-N-CA 122.772 2.315 . . . . 73.35 111.752 177.321 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 37.6 ttpt -90.39 141.62 28.55 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.923 0.392 . . . . 75.13 110.193 -179.574 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.635 ' HD3' ' H ' ' A' ' 52' ' ' LYS . 0.2 OUTLIER -120.71 145.99 46.92 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 116.094 -0.503 . . . . 74.14 109.862 -178.96 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 18.3 ptpt -79.31 137.12 37.22 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 109.505 -0.554 . . . . 73.32 109.505 175.3 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 53.5 ttp -84.2 75.68 10.17 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 121.304 0.573 . . . . 72.43 109.978 -179.19 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 69.9 m -118.88 84.06 2.13 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 115.326 -0.852 . . . . 74.14 109.031 174.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 37.3 ttpt -75.39 -27.55 59.12 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.363 -0.835 . . . . 75.04 110.05 -177.586 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -95.01 109.68 21.69 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.77 -0.65 . . . . 74.24 109.523 178.134 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 85.5 mtt180 -106.48 165.29 11.38 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 121.337 0.589 . . . . 74.14 111.588 -173.398 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 25.8 pt -92.8 160.06 34.87 Favored Pre-proline 0 C--N 1.323 -0.552 0 CA-C-N 115.29 -0.868 . . . . 72.43 111.16 -176.387 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 39.5 Cg_exo -58.46 162.09 13.07 Favored 'Trans proline' 0 C--N 1.348 0.505 0 C-N-CA 122.899 2.399 . . . . 70.5 111.756 175.059 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . 0.49 ' HA ' ' HD3' ' A' ' 62' ' ' PRO . 19.5 mm-40 -129.79 127.58 22.86 Favored Pre-proline 0 C--N 1.321 -0.657 0 N-CA-C 112.432 0.53 . . . . 72.41 112.432 -172.938 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . 0.49 ' HD3' ' HA ' ' A' ' 61' ' ' GLN . 4.8 Cg_exo -75.42 46.18 1.57 Allowed 'Trans proline' 0 C--O 1.234 0.296 0 C-N-CA 123.581 2.854 . . . . 75.5 111.276 173.707 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 79.1 mttt 58.93 92.68 0.04 OUTLIER 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.089 -0.96 . . . . 54.04 112.345 -177.226 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . 0.59 ' ND2' ' HB ' ' A' ' 66' ' ' VAL . 12.7 p-10 -77.35 147.7 36.0 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.097 -0.956 . . . . 64.14 110.263 175.865 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' THR . . . . . 0.525 ' HA ' ' HG3' ' A' ' 68' ' ' MET . 30.7 p -59.42 -27.38 65.99 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 115.176 -0.92 . . . . 61.22 111.009 -179.915 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.59 ' HB ' ' ND2' ' A' ' 64' ' ' ASN . 33.4 t -57.76 -39.21 69.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 115.262 -0.881 . . . . 71.13 110.557 176.105 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -69.5 -38.28 77.56 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.962 -0.563 . . . . 70.4 110.339 178.786 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' MET . . . . . 0.525 ' HG3' ' HA ' ' A' ' 65' ' ' THR . 15.7 mtp -65.36 -36.37 83.79 Favored 'General case' 0 CA--C 1.521 -0.154 0 CA-C-N 115.991 -0.55 . . . . 74.34 109.823 179.169 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.827 ' HB3' HD13 ' A' ' 76' ' ' LEU . 1.8 mt -62.78 -35.27 79.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.897 -0.592 . . . . 71.03 111.067 178.88 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 20.6 m-80 -69.92 -24.49 63.38 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.309 0.576 . . . . 75.25 110.232 179.384 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -82.49 -25.93 33.04 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.303 -0.862 . . . . 60.43 110.723 177.716 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 85.6 mt -90.2 -65.57 1.0 Allowed 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.304 -0.407 . . . . 71.13 111.637 -177.589 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . 0.604 ' HG2' ' HB2' ' A' ' 99' ' ' ASP . 10.7 tpt180 -143.1 117.5 9.66 Favored 'General case' 0 N--CA 1.449 -0.481 0 CA-C-O 120.498 0.19 . . . . 74.43 110.66 -172.587 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 4.8 p-80 -72.15 161.33 31.03 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 109.706 -0.479 . . . . 75.34 109.706 173.833 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . 0.444 ' O ' ' HA ' ' A' ' 98' ' ' VAL . . . 90.41 44.12 4.73 Favored Glycine 0 N--CA 1.438 -1.178 0 C-N-CA 120.0 -1.095 . . . . 71.31 110.474 -174.025 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.827 HD13 ' HB3' ' A' ' 69' ' ' LEU . 0.9 OUTLIER -110.1 94.57 5.08 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.424 0.63 . . . . 75.32 109.919 179.548 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . 0.434 ' O ' ' HA ' ' A' ' 96' ' ' VAL . 5.0 mp -95.25 110.02 23.38 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.761 0 CA-C-N 116.006 -0.543 . . . . 71.42 110.731 -176.062 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . 0.667 ' HH ' HD11 ' A' ' 69' ' ' LEU . 86.9 m-85 -89.54 129.36 36.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.137 -0.483 . . . . 73.53 110.214 176.32 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 17.4 ptpt -139.74 143.68 37.11 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 116.386 -0.37 . . . . 63.12 110.23 175.758 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.509 HD23 ' HE2' ' A' ' 110' ' ' LYS . 40.4 tp -82.66 118.75 23.56 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 109.379 -0.6 . . . . 72.13 109.379 177.758 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . 0.406 ' OE1' ' HB3' ' A' ' 95' ' ' SER . 7.6 pt-20 -106.22 -30.44 9.2 Favored 'General case' 0 C--N 1.323 -0.549 0 C-N-CA 119.999 -0.68 . . . . 73.23 111.97 -178.767 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' SER . . . . . 0.545 ' HB2' ' HB ' ' A' ' 93' ' ' THR . 50.5 m -139.72 146.1 39.17 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 120.735 0.303 . . . . 74.55 110.592 -179.918 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 22.0 tm0? -148.24 124.1 10.61 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 109.751 -0.463 . . . . 73.23 109.751 178.385 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 19.4 p -143.89 -168.16 2.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.262 -0.426 . . . . 73.42 110.529 -179.149 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 92.41 179.96 40.73 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.947 -0.644 . . . . 60.24 113.047 175.286 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -71.15 -163.48 0.13 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 123.515 2.81 . . . . 64.03 112.348 177.146 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 35.4 m -104.42 -23.98 4.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 C-N-CA 120.705 -0.398 . . . . 75.2 110.794 176.915 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 50.3 p-80 -83.38 -26.34 30.55 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.13 -0.486 . . . . 64.11 110.538 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -156.1 70.57 5.11 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 120.839 0.352 . . . . 73.25 110.655 179.24 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . 0.525 ' O ' ' HA ' ' A' ' 108' ' ' ARG . 3.2 Cg_exo -77.47 178.41 7.66 Favored 'Trans proline' 0 N--CA 1.457 -0.653 0 C-N-CA 122.732 2.288 . . . . 74.31 112.213 -176.727 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 19.2 tp -121.47 130.7 53.72 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 115.826 -0.625 . . . . 72.0 110.035 175.363 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . 0.488 ' O ' ' HA ' ' A' ' 106' ' ' GLN . 25.4 m-85 -118.38 137.55 53.05 Favored 'General case' 0 C--N 1.31 -1.111 0 CA-C-N 115.274 -0.875 . . . . 73.2 109.186 -178.742 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' THR . . . . . 0.545 ' HB ' ' HB2' ' A' ' 82' ' ' SER . 6.7 m -117.13 103.24 10.01 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-O 121.179 0.514 . . . . 75.21 110.149 -178.594 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 7.1 mm -98.87 127.63 51.29 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.857 0 CA-C-N 115.407 -0.815 . . . . 75.22 109.801 -178.343 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' SER . . . . . 0.559 ' CB ' ' HD3' ' A' ' 102' ' ' LYS . 0.3 OUTLIER -101.97 120.18 39.98 Favored 'General case' 0 C--N 1.311 -1.096 0 CA-C-N 115.812 -0.631 . . . . 63.34 109.832 174.106 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . 0.515 ' HB ' ' CD1' ' A' ' 78' ' ' TYR . 9.4 p -108.61 124.98 65.5 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.828 0 CA-C-O 121.361 0.6 . . . . 74.25 110.091 176.941 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 20.9 tt0 -101.3 110.73 22.78 Favored 'General case' 0 C--N 1.309 -1.175 0 CA-C-N 115.505 -0.771 . . . . 72.21 109.047 177.462 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . 0.488 ' C ' ' H ' ' A' ' 100' ' ' GLY . 13.9 t -123.0 129.41 75.11 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 CA-C-N 115.898 -0.592 . . . . 74.35 109.999 -176.093 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . 0.604 ' HB2' ' HG2' ' A' ' 73' ' ' ARG . 28.4 t70 66.81 -11.61 0.25 Allowed 'General case' 0 N--CA 1.471 0.587 0 CA-C-O 121.36 0.6 . . . . 62.21 111.928 179.515 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . 0.488 ' H ' ' C ' ' A' ' 98' ' ' VAL . . . 119.19 3.42 13.08 Favored Glycine 0 N--CA 1.446 -0.672 0 N-CA-C 111.499 -0.64 . . . . 74.33 111.499 -173.802 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' GLN . . . . . 0.473 ' HA ' ' NE2' ' A' ' 101' ' ' GLN . 13.2 mm-40 -110.68 136.94 49.01 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.805 0.336 . . . . 74.51 110.702 176.023 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . 0.559 ' HD3' ' CB ' ' A' ' 95' ' ' SER . 1.8 tmmm? -102.22 117.55 35.01 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-O 121.185 0.517 . . . . 75.42 110.106 -176.148 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' TYR . . . . . 0.461 ' HB3' ' HB ' ' A' ' 120' ' ' THR . 48.8 m-85 -108.55 148.92 29.58 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 115.445 -0.798 . . . . 74.14 109.544 178.378 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 13.3 tp -114.59 147.75 39.04 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 120.758 0.313 . . . . 75.03 110.73 -175.779 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . 0.44 ' HA3' ' N ' ' A' ' 117' ' ' ALA . . . -147.91 137.33 6.45 Favored Glycine 0 N--CA 1.445 -0.709 0 N-CA-C 111.533 -0.627 . . . . 75.23 111.533 176.864 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . 0.501 ' HG2' HG21 ' A' ' 93' ' ' THR . 21.7 mt-30 -121.74 122.78 40.32 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 120.805 0.336 . . . . 75.4 110.19 -177.867 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -136.9 177.86 19.38 Favored Glycine 0 N--CA 1.448 -0.554 0 C-N-CA 120.881 -0.676 . . . . 71.34 111.739 -177.011 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . 0.525 ' HA ' ' O ' ' A' ' 90' ' ' PRO . 5.9 mmt180 -83.76 3.02 35.16 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.243 0.544 . . . . 65.14 111.062 -176.441 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 70.8 m -163.56 164.38 24.25 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 108.672 -0.862 . . . . 64.43 108.672 -178.574 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . 0.509 ' HE2' HD23 ' A' ' 80' ' ' LEU . 84.5 mttt -58.96 -39.93 83.19 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 121.04 0.448 . . . . 75.23 110.113 179.296 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . 0.462 ' HZ1' ' CD ' ' A' ' 61' ' ' GLN . 52.7 tttp -62.18 -50.9 69.97 Favored 'General case' 0 N--CA 1.449 -0.476 0 CA-C-N 115.37 -0.832 . . . . 74.41 110.856 179.675 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 46.7 t -61.74 -47.1 94.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 115.86 -0.609 . . . . 64.45 111.11 179.498 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -63.67 -34.87 78.81 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.908 0.385 . . . . 71.02 111.122 -178.824 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 63.5 ttt180 -61.54 -41.55 97.52 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.893 -0.594 . . . . 75.51 109.614 176.471 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 115' ' ' ILE . . . . . 0.401 HG12 ' HB2' ' A' ' 64' ' ' ASN . 74.5 mt -65.08 -49.26 80.33 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.304 0 CA-C-N 115.474 -0.784 . . . . 74.25 111.067 174.693 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 47.4 mm-40 -55.41 -43.76 75.56 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.656 0.265 . . . . 74.43 111.485 179.022 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . 0.485 ' HB1' HG11 ' A' ' 96' ' ' VAL . . . -63.17 -43.21 98.88 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.13 0.491 . . . . 73.13 110.991 179.33 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . 0.558 ' O ' ' HG ' ' A' ' 122' ' ' LEU . . . -65.4 -32.61 74.33 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.632 -0.713 . . . . 72.41 111.002 -179.404 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -59.29 -42.48 91.41 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.263 -0.426 . . . . 73.45 110.955 178.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 120' ' ' THR . . . . . 0.461 ' HB ' ' HB3' ' A' ' 103' ' ' TYR . 19.4 m -65.18 -40.79 94.75 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.863 -0.608 . . . . 74.32 110.735 178.037 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -60.23 -51.42 69.65 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.14 -0.482 . . . . 63.11 110.42 177.781 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . 0.558 ' HG ' ' O ' ' A' ' 118' ' ' ALA . 52.4 mt -50.14 -53.06 30.21 Favored 'General case' 0 CA--C 1.521 -0.146 0 CA-C-N 115.718 -0.674 . . . . 75.33 111.391 -178.677 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 13.7 ptm180 -68.13 -17.76 64.45 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.95 -0.568 . . . . 74.4 111.826 -173.733 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 24.7 t -75.24 -30.36 60.51 Favored 'General case' 0 C--N 1.325 -0.463 0 C-N-CA 120.728 -0.389 . . . . 75.32 110.168 176.462 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 70.8 m-85 -79.42 -56.71 4.12 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.071 -0.513 . . . . 73.3 111.175 -178.487 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 126' ' ' ILE . . . . . 0.506 HD12 ' O ' ' A' ' 122' ' ' LEU . 0.3 OUTLIER -111.71 131.5 62.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-O 121.301 0.572 . . . . 73.42 109.855 179.079 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 7.9 mm-40 -117.84 100.09 7.35 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 115.69 -0.687 . . . . 65.11 111.729 -176.302 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 9.8 p90 -106.12 -176.67 3.14 Favored 'General case' 0 C--N 1.314 -0.96 0 CA-C-N 115.061 -0.972 . . . . 75.34 108.584 173.492 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 81.3 tttt -91.68 82.37 5.26 Favored 'General case' 0 C--N 1.322 -0.618 0 C-N-CA 119.864 -0.734 . . . . 73.1 110.256 -179.098 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 13.3 p-10 -73.55 -36.93 65.7 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.304 -0.862 . . . . 71.21 109.72 178.693 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 62.27 27.42 69.17 Favored Glycine 0 N--CA 1.45 -0.43 0 CA-C-N 115.565 -0.743 . . . . 38.14 112.53 176.201 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -84.19 160.63 20.79 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.924 0.392 . . . . 73.34 110.695 -179.24 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 57.7 t -81.73 112.55 19.77 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.747 0 CA-C-N 115.907 -0.588 . . . . 65.34 109.781 177.23 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 1.2 tt -63.29 101.82 0.34 Allowed 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 109.033 -0.729 . . . . 73.31 109.033 176.271 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 135' ' ' SER . . . . . 0.4 ' HA ' ' HD3' ' A' ' 136' ' ' PRO . 20.0 m -56.34 138.01 75.01 Favored Pre-proline 0 C--N 1.324 -0.533 0 CA-C-N 115.803 -0.635 . . . . 73.12 111.42 -176.18 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 136' ' ' PRO . . . . . 0.4 ' HD3' ' HA ' ' A' ' 135' ' ' SER . 12.6 Cg_exo -71.7 46.14 0.78 Allowed 'Trans proline' 0 C--N 1.346 0.409 0 C-N-CA 123.738 2.959 . . . . 75.14 112.934 -177.769 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 2.8 pp -99.16 161.54 13.57 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 109.7 -0.482 . . . . 72.54 109.7 175.414 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 17.2 pttp -132.23 154.2 81.55 Favored Pre-proline 0 C--N 1.318 -0.793 0 N-CA-C 109.997 -0.371 . . . . 64.1 109.997 -178.486 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -73.71 -176.37 2.53 Favored 'Trans proline' 0 N--CA 1.459 -0.51 0 C-N-CA 122.492 2.128 . . . . 74.41 111.301 176.384 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.931 0 CA-C-O 118.219 -0.895 . . . . 62.44 110.277 179.615 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 12.1 m . . . . . 0 N--CA 1.478 0.971 0 CA-C-O 121.131 0.491 . . . . 75.33 109.711 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . 0.422 ' HA ' ' HD3' ' A' ' 50' ' ' PRO . 4.6 p-10 -162.28 143.95 8.23 Favored Pre-proline 0 C--N 1.325 -0.496 0 CA-C-N 115.673 -0.694 . . . . 71.31 111.056 -165.623 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . 0.422 ' HD3' ' HA ' ' A' ' 49' ' ' ASP . 16.8 Cg_exo -69.05 117.87 5.32 Favored 'Trans proline' 0 N--CA 1.462 -0.354 0 C-N-CA 122.7 2.267 . . . . 71.25 110.938 172.161 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -62.7 113.92 3.29 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.993 -0.549 . . . . 75.41 110.115 -176.039 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 32.4 tptt -77.67 160.86 28.2 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 109.131 -0.692 . . . . 72.42 109.131 -179.61 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 18.7 ptpt -57.6 140.73 50.26 Favored 'General case' 0 C--O 1.235 0.313 0 CA-C-O 121.269 0.557 . . . . 71.11 111.069 -177.442 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 43.7 ttp -63.84 -53.86 43.99 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.211 -0.904 . . . . 73.24 112.209 -174.566 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 42.2 t -88.95 122.02 31.89 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.329 0.585 . . . . 54.11 112.121 -169.874 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 66.0 mmtt -112.01 147.56 35.7 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.204 -0.907 . . . . 70.21 108.596 170.311 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -71.25 151.51 44.2 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 121.064 0.459 . . . . 62.32 111.506 -174.844 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 38.3 ttm105 -93.63 -56.14 3.01 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.713 -0.676 . . . . 74.12 109.961 177.395 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.582 HD13 ' HZ2' ' A' ' 111' ' ' LYS . 54.6 mt 64.61 101.88 0.04 OUTLIER Pre-proline 0 CA--C 1.533 0.295 0 CA-C-N 115.41 -0.814 . . . . 74.42 111.343 179.781 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . 0.443 ' HD3' ' HA ' ' A' ' 59' ' ' ILE . 3.0 Cg_exo -82.06 45.04 1.84 Allowed 'Trans proline' 0 N--CA 1.463 -0.319 0 C-N-CA 123.472 2.781 . . . . 75.55 112.607 -178.65 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 16.1 mm100 -96.59 145.78 30.18 Favored Pre-proline 0 C--N 1.325 -0.476 0 CA-C-N 116.449 -0.341 . . . . 73.13 110.275 178.008 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 43.2 Cg_endo -68.33 -0.16 5.41 Favored 'Trans proline' 0 C--N 1.344 0.307 0 C-N-CA 122.894 2.396 . . . . 73.14 112.736 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 40.7 ttmt -74.03 -36.59 64.44 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.291 -0.413 . . . . 71.3 110.445 177.212 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 3.1 p-10 -103.27 139.26 38.94 Favored 'General case' 0 C--O 1.239 0.537 0 CA-C-O 122.379 1.085 . . . . 65.15 111.5 -177.582 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' THR . . . . . 0.431 HG21 HD13 ' A' ' 122' ' ' LEU . 19.6 p -62.09 -22.17 65.57 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 113.871 -1.513 . . . . 74.12 113.269 -170.372 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 1.1 m -67.28 -31.48 53.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 121.004 0.43 . . . . 74.13 110.338 -176.717 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -75.32 -40.38 58.47 Favored 'General case' 0 N--CA 1.452 -0.362 0 N-CA-C 109.061 -0.718 . . . . 73.43 109.061 175.584 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 81.3 mmm -56.65 -45.43 81.62 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 114.969 -1.014 . . . . 74.23 110.864 176.57 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.742 ' HB3' HD13 ' A' ' 76' ' ' LEU . 0.7 OUTLIER -61.4 -36.61 80.76 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.13 -0.486 . . . . 73.14 111.601 179.697 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . 0.439 ' ND2' HD12 ' A' ' 76' ' ' LEU . 10.7 m-80 -66.1 -25.54 67.05 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-O 120.93 0.395 . . . . 63.43 110.52 -178.392 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -81.76 -26.51 34.43 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.605 -0.725 . . . . 74.52 110.998 178.841 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 59.2 mt -89.59 -58.19 2.61 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 112.098 0.407 . . . . 71.51 112.098 -176.393 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . 0.638 ' HG3' ' CZ ' ' A' ' 125' ' ' PHE . 2.6 mmp_? -135.4 167.77 20.44 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.122 0.487 . . . . 74.42 111.686 -174.003 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 1.8 p-80 -115.75 169.52 9.15 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.537 -0.756 . . . . 75.55 110.087 177.53 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 74.58 21.81 78.18 Favored Glycine 0 N--CA 1.446 -0.685 0 C-N-CA 120.55 -0.833 . . . . 75.42 111.939 -176.844 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.811 ' H ' HD23 ' A' ' 76' ' ' LEU . 1.1 pt? -76.88 79.69 3.45 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.597 0.713 . . . . 72.41 110.081 178.697 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . 0.436 ' O ' ' HA ' ' A' ' 96' ' ' VAL . 3.7 mt -82.46 106.52 13.43 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.7 0 CA-C-N 115.391 -0.822 . . . . 74.24 110.814 -176.269 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . 0.479 ' HH ' HD12 ' A' ' 69' ' ' LEU . 93.2 m-85 -84.84 109.82 18.38 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 109.503 -0.555 . . . . 73.4 109.503 174.262 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . 0.487 ' HG2' ' O ' ' A' ' 95' ' ' SER . 17.1 ptpt -121.07 124.44 44.8 Favored 'General case' 0 C--N 1.315 -0.915 0 CA-C-N 115.743 -0.662 . . . . 74.21 109.905 -177.005 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 44.9 tp -73.78 111.68 9.16 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 108.717 -0.845 . . . . 73.23 108.717 177.768 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -93.31 -29.26 15.74 Favored 'General case' 0 C--N 1.323 -0.555 0 C-N-CA 120.154 -0.618 . . . . 75.4 111.691 -176.027 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 47.0 m -156.77 151.98 26.39 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.555 -0.293 . . . . 71.52 110.56 179.385 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 24.3 tm0? -151.6 116.96 5.32 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.261 -0.427 . . . . 74.23 109.872 177.209 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 2.3 p -152.98 164.65 37.56 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.139 -0.482 . . . . 72.31 110.258 179.577 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 137.38 -173.95 22.0 Favored Glycine 0 N--CA 1.448 -0.53 0 C-N-CA 120.813 -0.708 . . . . 61.55 112.2 177.865 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 65.5 Cg_endo -72.04 173.8 12.31 Favored 'Trans proline' 0 C--N 1.344 0.296 0 C-N-CA 123.073 2.515 . . . . 71.34 111.432 177.588 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 9.5 p -87.49 -27.25 5.72 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 C-N-CA 120.517 -0.473 . . . . 73.11 110.601 -179.794 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 34.5 p-80 -72.55 -27.33 62.16 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.893 0.378 . . . . 74.22 110.405 179.549 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -156.57 73.25 4.83 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-N 116.112 -0.495 . . . . 74.24 110.755 179.128 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 37.4 Cg_endo -70.55 146.04 54.24 Favored 'Trans proline' 0 N--CA 1.461 -0.424 0 C-N-CA 122.277 1.984 . . . . 74.44 111.856 179.435 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 15.3 tp -98.8 133.08 43.61 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-O 121.456 0.646 . . . . 55.14 110.397 179.633 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . 0.557 ' O ' ' HA ' ' A' ' 106' ' ' GLN . 18.4 m-85 -114.77 132.99 56.27 Favored 'General case' 0 C--N 1.312 -1.025 0 CA-C-N 115.048 -0.978 . . . . 71.21 108.781 178.066 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' THR . . . . . 0.531 HG23 ' HG2' ' A' ' 106' ' ' GLN . 11.8 m -113.38 98.69 7.25 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-O 121.218 0.532 . . . . 64.52 110.219 -177.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . 0.496 HG21 ' HA ' ' A' ' 114' ' ' ARG . 4.8 mm -97.27 128.82 48.16 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.76 0 CA-C-N 115.382 -0.827 . . . . 74.42 110.037 -179.357 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' SER . . . . . 0.503 ' HB2' ' HD3' ' A' ' 102' ' ' LYS . 3.9 p -109.05 120.16 41.72 Favored 'General case' 0 C--N 1.308 -1.218 0 CA-C-N 115.517 -0.765 . . . . 65.52 109.642 175.668 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . 0.528 HG12 ' HB1' ' A' ' 117' ' ' ALA . 14.4 p -103.23 126.42 57.58 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.777 0 C-N-CA 120.166 -0.613 . . . . 74.11 109.355 175.472 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 13.9 tt0 -107.05 107.68 18.79 Favored 'General case' 0 C--N 1.31 -1.145 0 N-CA-C 109.437 -0.579 . . . . 62.44 109.437 -179.1 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . 0.414 HG21 ' HA ' ' A' ' 76' ' ' LEU . 26.1 t -121.7 124.94 72.67 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.875 0 CA-C-N 115.846 -0.616 . . . . 64.03 110.225 -174.418 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 4.1 t70 56.77 20.98 5.55 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.756 -0.656 . . . . 71.01 110.992 -177.488 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 97.85 -9.65 63.98 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.813 -0.708 . . . . 75.04 112.416 -179.064 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' GLN . . . . . 0.448 ' HA ' ' NE2' ' A' ' 101' ' ' GLN . 16.2 mm-40 -95.0 129.83 41.91 Favored 'General case' 0 CA--C 1.511 -0.548 0 CA-C-O 121.011 0.434 . . . . 63.11 110.756 -179.874 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . 0.503 ' HD3' ' HB2' ' A' ' 95' ' ' SER . 2.8 tmmm? -99.92 117.19 33.7 Favored 'General case' 0 C--N 1.316 -0.857 0 CA-C-N 115.9 -0.591 . . . . 74.12 110.164 -176.922 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' TYR . . . . . 0.541 ' HB3' ' HB ' ' A' ' 120' ' ' THR . 32.4 m-85 -108.39 134.62 50.95 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 108.878 -0.786 . . . . 73.2 108.878 178.792 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . 0.44 HD13 HG21 ' A' ' 93' ' ' THR . 13.1 tp -107.41 139.33 42.06 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 121.057 0.456 . . . . 62.34 111.728 -173.5 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -134.93 140.61 11.87 Favored Glycine 0 N--CA 1.445 -0.744 0 N-CA-C 110.99 -0.844 . . . . 75.54 110.99 175.743 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . 0.557 ' HA ' ' O ' ' A' ' 92' ' ' PHE . 30.0 mt-30 -131.1 100.77 5.33 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 121.005 0.431 . . . . 74.24 110.72 -175.137 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -117.03 -178.48 17.79 Favored Glycine 0 N--CA 1.442 -0.914 0 C-N-CA 120.671 -0.776 . . . . 64.24 112.173 -170.864 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 38.2 mmt-85 -87.14 2.53 49.55 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.5 0.667 . . . . 74.53 109.682 -179.71 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 58.8 m -162.66 162.77 27.12 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.308 -0.86 . . . . 75.31 109.083 -178.678 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 99.8 mttt -56.2 -39.95 73.23 Favored 'General case' 0 C--N 1.33 -0.272 0 O-C-N 123.324 0.39 . . . . 72.23 110.728 179.236 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . 0.582 ' HZ2' HD13 ' A' ' 59' ' ' ILE . 79.4 tttt -64.54 -50.99 65.15 Favored 'General case' 0 N--CA 1.453 -0.32 0 CA-C-N 116.273 -0.421 . . . . 71.12 111.139 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 61.1 t -58.64 -46.29 90.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.291 -0.413 . . . . 75.32 110.873 179.872 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -61.77 -37.63 85.04 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.046 0.451 . . . . 74.21 110.691 179.061 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 114' ' ' ARG . . . . . 0.496 ' HA ' HG21 ' A' ' 94' ' ' ILE . 20.7 ttm180 -62.63 -40.2 96.25 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.441 -0.8 . . . . 70.44 110.092 176.632 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 90.6 mt -66.89 -46.19 85.73 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.215 0 CA-C-N 116.041 -0.527 . . . . 65.15 111.27 177.396 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 27.7 mt-10 -58.6 -42.99 89.38 Favored 'General case' 0 C--O 1.236 0.351 0 CA-C-O 121.097 0.475 . . . . 74.32 110.601 179.138 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . 0.528 ' HB1' HG12 ' A' ' 96' ' ' VAL . . . -62.18 -47.98 82.08 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.74 -0.664 . . . . 73.42 110.648 178.941 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . 0.501 ' O ' ' HG ' ' A' ' 122' ' ' LEU . . . -64.7 -35.46 81.13 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.933 -0.576 . . . . 74.11 111.444 -179.072 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -60.91 -34.76 75.17 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.14 0.495 . . . . 71.4 110.724 178.658 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 120' ' ' THR . . . . . 0.615 ' O ' ' HG2' ' A' ' 123' ' ' ARG . 21.3 m -74.41 -37.01 63.48 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.732 -0.667 . . . . 70.14 110.334 178.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -62.91 -45.17 93.77 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.204 -0.453 . . . . 74.01 110.341 176.583 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . 0.501 ' HG ' ' O ' ' A' ' 118' ' ' ALA . 36.2 mt -57.24 -49.95 74.43 Favored 'General case' 0 C--N 1.334 -0.105 0 CA-C-N 116.172 -0.467 . . . . 72.25 111.28 -179.916 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 123' ' ' ARG . . . . . 0.615 ' HG2' ' O ' ' A' ' 120' ' ' THR . 2.8 ptm180 -66.57 -14.4 62.31 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-N 116.114 -0.494 . . . . 74.35 111.048 -176.672 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 16.4 t -81.73 -29.12 33.03 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.324 -0.398 . . . . 63.04 110.352 175.767 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 125' ' ' PHE . . . . . 0.638 ' CZ ' ' HG3' ' A' ' 73' ' ' ARG . 43.0 m-85 -86.44 -58.53 2.58 Favored 'General case' 0 CA--C 1.518 -0.278 0 CA-C-O 121.01 0.433 . . . . 75.53 110.265 -179.468 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 126' ' ' ILE . . . . . 0.47 HD13 ' O ' ' A' ' 122' ' ' LEU . 0.2 OUTLIER -113.37 130.86 66.58 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 CA-C-O 121.352 0.596 . . . . 75.33 109.584 177.722 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -127.93 162.79 25.92 Favored 'General case' 0 C--N 1.311 -1.069 0 CA-C-N 115.646 -0.706 . . . . 71.1 110.226 -177.825 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 96.0 m-85 -133.59 130.71 38.75 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 116.179 -0.464 . . . . 73.44 110.288 179.347 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 94.8 mttt -118.59 -7.15 10.63 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.824 -0.625 . . . . 71.11 109.879 178.428 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -75.13 87.48 2.42 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.608 -0.724 . . . . 74.41 110.44 178.733 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 66.15 26.16 72.41 Favored Glycine 0 N--CA 1.45 -0.422 0 CA-C-N 115.377 -0.829 . . . . 65.34 112.076 179.262 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -124.98 145.9 49.66 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 120.774 0.321 . . . . 75.3 110.619 -176.771 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 18.8 m -114.99 151.01 16.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-N 116.159 -0.473 . . . . 65.4 110.728 179.504 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -103.76 36.79 2.21 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 115.848 -0.615 . . . . 74.3 110.127 -178.168 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 135' ' ' SER . . . . . 0.434 ' HA ' ' HD3' ' A' ' 136' ' ' PRO . 21.4 m -68.1 136.24 91.7 Favored Pre-proline 0 C--N 1.319 -0.742 0 CA-C-N 115.544 -0.753 . . . . 75.34 110.677 177.79 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 136' ' ' PRO . . . . . 0.434 ' HD3' ' HA ' ' A' ' 135' ' ' SER . 13.8 Cg_exo -69.01 79.28 0.72 Allowed 'Trans proline' 0 C--O 1.235 0.357 0 C-N-CA 122.679 2.253 . . . . 75.31 111.611 175.841 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 96.3 mt -125.12 128.14 47.96 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.872 -0.604 . . . . 74.13 109.868 179.901 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 138' ' ' LYS . . . . . 0.402 ' HA ' ' HD3' ' A' ' 139' ' ' PRO . 94.4 mttt -105.47 156.18 36.78 Favored Pre-proline 0 C--N 1.319 -0.717 0 CA-C-N 115.862 -0.608 . . . . 71.41 110.96 -173.435 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 139' ' ' PRO . . . . . 0.402 ' HD3' ' HA ' ' A' ' 138' ' ' LYS . 3.7 Cg_exo -79.65 52.16 4.18 Favored 'Trans proline' 0 C--N 1.344 0.323 0 C-N-CA 123.314 2.676 . . . . 41.05 112.038 -178.618 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.935 0 CA-C-O 118.642 -0.694 . . . . 63.53 110.741 -178.906 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 38.8 m . . . . . 0 N--CA 1.477 0.905 0 CA-C-O 121.046 0.451 . . . . 65.3 110.554 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -163.35 89.43 1.22 Allowed Pre-proline 0 C--N 1.325 -0.461 0 N-CA-C 109.056 -0.72 . . . . 52.13 109.056 -179.367 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 8.4 Cg_exo -71.71 114.22 3.88 Favored 'Trans proline' 0 C--O 1.234 0.275 0 C-N-CA 123.148 2.565 . . . . 72.33 113.298 -171.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -88.95 110.59 21.24 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.124 -0.489 . . . . 75.34 110.627 176.189 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.576 ' HD3' ' H ' ' A' ' 52' ' ' LYS . 0.0 OUTLIER -67.49 -26.46 66.37 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.233 0.539 . . . . 71.34 109.678 172.117 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 82.9 tttt -98.37 96.43 8.03 Favored 'General case' 0 N--CA 1.45 -0.439 0 CA-C-N 115.377 -0.829 . . . . 75.33 108.814 170.494 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' MET . . . . . 0.409 ' C ' ' H ' ' A' ' 56' ' ' LYS . 25.7 ptm -82.59 -11.86 58.11 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.364 -0.38 . . . . 75.33 111.659 -175.174 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 52.4 t 74.22 -35.98 0.32 Allowed 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 123.461 0.704 . . . . 73.32 111.631 177.786 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.409 ' H ' ' C ' ' A' ' 54' ' ' MET . 91.7 mttt -78.9 1.95 21.83 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.836 0.35 . . . . 75.04 111.445 179.328 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -108.04 93.33 4.48 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 109.802 -0.444 . . . . 72.11 109.802 175.6 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 54.7 ttp180 -96.58 101.35 12.95 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 109.355 -0.609 . . . . 75.5 109.355 177.884 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.442 HD11 ' HB2' ' A' ' 111' ' ' LYS . 28.3 mt -87.57 124.35 67.87 Favored Pre-proline 0 C--N 1.322 -0.595 0 CA-C-N 115.83 -0.623 . . . . 71.4 110.614 -176.127 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 20.4 Cg_endo -60.44 137.76 76.2 Favored 'Trans proline' 0 C--O 1.236 0.401 0 C-N-CA 123.0 2.466 . . . . 70.45 112.029 178.594 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . 0.479 ' HB3' ' ND2' ' A' ' 64' ' ' ASN . 78.2 mm-40 -128.04 88.07 53.93 Favored Pre-proline 0 C--N 1.326 -0.437 0 CA-C-N 116.207 -0.451 . . . . 74.22 110.435 -177.668 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 9.9 Cg_exo -71.75 -63.35 0.04 OUTLIER 'Trans proline' 0 C--N 1.345 0.349 0 C-N-CA 122.765 2.31 . . . . 74.53 112.067 -179.536 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 61.8 tttp -131.72 107.3 8.69 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 109.187 -0.671 . . . . 73.12 109.187 178.762 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . 0.671 ' ND2' HG21 ' A' ' 66' ' ' VAL . 27.2 p-10 -149.08 150.22 32.4 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 122.064 0.935 . . . . 55.02 112.178 -173.744 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 26.4 p -70.84 -24.16 62.47 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 114.521 -1.218 . . . . 75.13 111.955 -176.565 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.671 HG21 ' ND2' ' A' ' 64' ' ' ASN . 1.0 OUTLIER -68.02 -30.54 48.49 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.164 0 CA-C-O 120.944 0.402 . . . . 75.42 110.118 -177.684 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -71.6 -42.69 67.41 Favored 'General case' 0 N--CA 1.452 -0.358 0 N-CA-C 109.09 -0.707 . . . . 73.42 109.09 175.092 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 74.3 mmm -54.62 -41.5 70.06 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.179 -0.919 . . . . 63.05 110.412 175.847 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.746 ' HB3' HD12 ' A' ' 76' ' ' LEU . 1.2 mt -64.18 -35.76 81.83 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.764 -0.653 . . . . 71.42 111.757 -178.934 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 22.1 m-80 -68.23 -24.81 64.96 Favored 'General case' 0 CA--C 1.516 -0.348 0 CA-C-O 121.451 0.643 . . . . 71.31 110.094 -177.909 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 23.9 mm-40 -79.78 -26.26 40.68 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.244 -0.889 . . . . 63.04 110.542 178.402 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 88.7 mt -88.44 -60.35 1.98 Allowed 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.838 -0.619 . . . . 75.04 111.325 -179.52 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 4.8 tpt180 -144.88 123.09 12.19 Favored 'General case' 0 N--CA 1.443 -0.776 0 CA-C-N 116.411 -0.358 . . . . 64.12 110.413 -172.27 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 7.6 p-80 -84.83 173.22 10.8 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 110.055 -0.35 . . . . 75.42 110.055 176.512 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 81.66 29.94 37.68 Favored Glycine 0 N--CA 1.444 -0.767 0 C-N-CA 120.276 -0.964 . . . . 63.31 110.812 -174.375 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.831 ' H ' HD23 ' A' ' 76' ' ' LEU . 1.6 pt? -97.71 92.04 5.68 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.454 0.645 . . . . 73.3 110.19 -178.753 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . 0.448 ' O ' ' HA ' ' A' ' 96' ' ' VAL . 4.5 mp -89.39 114.43 27.39 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.681 0 CA-C-N 116.104 -0.498 . . . . 74.54 110.722 -177.406 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . 0.5 ' HH ' HD12 ' A' ' 69' ' ' LEU . 93.3 m-85 -91.53 123.54 35.02 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.028 -0.533 . . . . 71.22 109.936 175.54 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 13.6 ptpt -133.47 138.75 46.31 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-O 120.906 0.384 . . . . 73.11 110.449 179.382 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 41.2 tp -79.3 104.22 9.77 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 109.198 -0.667 . . . . 74.44 109.198 176.068 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -92.23 -28.35 17.07 Favored 'General case' 0 C--N 1.325 -0.467 0 C-N-CA 120.507 -0.477 . . . . 73.11 111.483 -175.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 50.1 m -151.95 157.93 42.44 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 120.754 0.312 . . . . 75.22 110.914 -178.815 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . 0.493 ' NE2' ' HB2' ' A' ' 90' ' ' PRO . 23.2 tm0? -150.75 112.64 4.52 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 109.064 -0.717 . . . . 74.4 109.064 179.51 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' THR . . . . . 0.48 ' O ' ' HB3' ' A' ' 91' ' ' LEU . 40.9 p -141.68 151.49 43.06 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.37 -0.377 . . . . 74.45 110.688 -175.132 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 138.92 -171.21 23.7 Favored Glycine 0 N--CA 1.449 -0.473 0 C-N-CA 120.085 -1.055 . . . . 75.33 112.944 173.381 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -73.77 169.23 22.86 Favored 'Trans proline' 0 N--CA 1.465 -0.187 0 C-N-CA 123.103 2.536 . . . . 71.15 112.094 179.048 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 10.0 p -81.4 -25.17 10.17 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-N 116.609 -0.269 . . . . 71.53 110.817 -179.134 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 41.1 p-80 -76.64 -35.26 58.12 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-O 120.8 0.334 . . . . 74.35 110.756 -179.425 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -147.45 70.85 11.75 Favored Pre-proline 0 C--N 1.325 -0.46 0 CA-C-N 116.297 -0.41 . . . . 74.14 110.673 -179.355 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . 0.493 ' HB2' ' NE2' ' A' ' 83' ' ' GLN . 33.4 Cg_endo -67.27 146.23 74.9 Favored 'Trans proline' 0 N--CA 1.458 -0.577 0 C-N-CA 122.304 2.003 . . . . 73.12 112.021 -177.56 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.48 ' HB3' ' O ' ' A' ' 84' ' ' THR . 17.7 tp -98.19 134.07 41.75 Favored 'General case' 0 C--N 1.316 -0.864 0 CA-C-O 121.295 0.569 . . . . 65.22 110.149 -179.03 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . 0.567 ' O ' ' HA ' ' A' ' 106' ' ' GLN . 15.0 m-85 -112.82 140.0 47.98 Favored 'General case' 0 C--N 1.312 -1.048 0 CA-C-N 115.491 -0.777 . . . . 74.52 109.05 -178.918 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' THR . . . . . 0.403 HG22 HD12 ' A' ' 104' ' ' LEU . 15.5 m -118.66 98.99 6.51 Favored 'General case' 0 N--CA 1.444 -0.764 0 CA-C-O 121.225 0.536 . . . . 74.22 110.372 -175.468 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 6.4 mm -97.32 126.05 50.24 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.722 0 CA-C-N 115.244 -0.889 . . . . 75.12 109.928 -179.765 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' SER . . . . . 0.509 ' HB2' ' HD3' ' A' ' 102' ' ' LYS . 0.3 OUTLIER -101.4 128.11 47.74 Favored 'General case' 0 C--N 1.313 -1.008 0 CA-C-N 115.951 -0.568 . . . . 36.43 109.845 174.664 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . 0.476 HG13 ' HB2' ' A' ' 117' ' ' ALA . 7.5 p -118.97 124.68 73.59 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.869 0 CA-C-O 121.363 0.601 . . . . 72.23 109.966 177.651 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 24.2 tt0 -97.66 118.79 34.97 Favored 'General case' 0 C--N 1.311 -1.077 0 CA-C-N 115.634 -0.712 . . . . 74.42 109.346 177.909 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 15.5 t -121.63 116.02 48.23 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.671 0 CA-C-N 115.915 -0.584 . . . . 74.31 110.079 -177.288 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 21.7 t70 60.51 4.42 0.71 Allowed 'General case' 0 N--CA 1.469 0.501 0 CA-C-N 115.11 -0.95 . . . . 74.4 112.274 -176.659 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 122.35 -22.27 7.5 Favored Glycine 0 N--CA 1.447 -0.608 0 C-N-CA 120.894 -0.669 . . . . 71.34 112.044 -177.235 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' GLN . . . . . 0.501 ' HB3' ' CE1' ' A' ' 103' ' ' TYR . 9.7 tp60 -80.86 131.05 35.34 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 109.211 -0.662 . . . . 54.31 109.211 178.109 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . 0.509 ' HD3' ' HB2' ' A' ' 95' ' ' SER . 0.6 OUTLIER -100.63 112.13 24.47 Favored 'General case' 0 C--N 1.321 -0.667 0 C-N-CA 120.526 -0.47 . . . . 72.43 110.135 -178.098 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' TYR . . . . . 0.501 ' CE1' ' HB3' ' A' ' 101' ' ' GLN . 62.8 m-85 -101.04 158.32 16.1 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.66 -0.7 . . . . 75.32 109.695 179.688 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . 0.403 HD12 HG22 ' A' ' 93' ' ' THR . 12.2 tp -123.21 147.61 46.7 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 120.891 0.377 . . . . 73.22 110.801 -178.111 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . 0.511 ' HA3' ' N ' ' A' ' 117' ' ' ALA . . . -144.48 132.93 5.0 Favored Glycine 0 N--CA 1.445 -0.702 0 C-N-CA 121.087 -0.577 . . . . 64.43 111.748 176.212 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . 0.567 ' HA ' ' O ' ' A' ' 92' ' ' PHE . 29.9 mt-30 -123.01 118.05 26.88 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.004 0.43 . . . . 73.23 110.955 -176.408 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -132.81 -174.99 13.78 Favored Glycine 0 C--O 1.223 -0.57 0 N-CA-C 111.674 -0.57 . . . . 63.15 111.674 -178.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 23.9 mmt180 -89.33 6.07 42.17 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 117.206 0.503 . . . . 75.44 111.333 -176.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 74.0 m -164.76 169.3 16.93 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 108.762 -0.829 . . . . 73.3 108.762 179.482 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 93.8 mttt -60.08 -38.54 83.19 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 121.38 0.61 . . . . 73.53 109.804 178.899 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . 0.442 ' HB2' HD11 ' A' ' 59' ' ' ILE . 33.7 tttp -59.63 -54.44 46.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.024 -0.989 . . . . 72.34 111.17 177.688 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 39.5 t -65.69 -42.92 93.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 115.809 -0.632 . . . . 75.34 110.875 -176.225 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -62.31 -39.38 92.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.243 -0.435 . . . . 74.41 111.065 -179.008 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 44.2 ttt180 -61.49 -41.34 97.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.772 -0.649 . . . . 62.42 110.063 178.202 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 115' ' ' ILE . . . . . 0.424 HG12 ' HB2' ' A' ' 64' ' ' ASN . 87.1 mt -67.02 -49.41 73.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 115.694 -0.684 . . . . 72.21 111.133 177.215 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -57.36 -35.12 69.54 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.767 0.318 . . . . 72.13 111.207 178.575 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . 0.511 ' N ' ' HA3' ' A' ' 105' ' ' GLY . . . -65.17 -46.37 81.1 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.126 0.489 . . . . 73.45 110.775 177.788 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . 0.52 ' O ' ' HG ' ' A' ' 122' ' ' LEU . . . -67.98 -29.79 68.9 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.783 -0.644 . . . . 55.52 111.287 -179.604 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -60.82 -42.19 97.2 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.111 0.481 . . . . 73.42 110.38 178.124 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 120' ' ' THR . . . . . 0.413 ' O ' ' HG2' ' A' ' 123' ' ' ARG . 18.7 m -63.63 -42.52 98.16 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.585 -0.734 . . . . 74.54 110.248 177.479 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -61.72 -48.92 78.58 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.731 -0.668 . . . . 55.22 111.058 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . 0.52 ' HG ' ' O ' ' A' ' 118' ' ' ALA . 55.9 mt -54.58 -48.81 71.65 Favored 'General case' 0 N--CA 1.462 0.142 0 CA-C-N 116.42 -0.355 . . . . 71.0 111.35 -177.829 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 123' ' ' ARG . . . . . 0.413 ' HG2' ' O ' ' A' ' 120' ' ' THR . 37.0 ptt180 -70.66 -14.48 62.48 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.241 -0.436 . . . . 71.45 111.118 -175.746 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 29.9 t -81.31 -26.41 35.69 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.282 -0.417 . . . . 73.41 110.299 175.868 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 78.6 m-85 -87.38 -55.41 3.81 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.742 0.305 . . . . 74.22 110.342 177.836 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 126' ' ' ILE . . . . . 0.599 HG13 ' HE1' ' A' ' 128' ' ' PHE . 0.2 OUTLIER -128.02 171.98 15.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.16 -0.473 . . . . 74.32 110.148 -179.518 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 127' ' ' GLN . . . . . 0.563 ' OE1' ' HG3' ' A' ' 129' ' ' LYS . 0.0 OUTLIER -133.02 122.11 23.72 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.964 0.411 . . . . 73.11 110.705 -175.463 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 128' ' ' PHE . . . . . 0.599 ' HE1' HG13 ' A' ' 126' ' ' ILE . 49.5 m-85 -122.03 108.54 13.5 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.294 -0.412 . . . . 72.23 111.039 177.94 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . 0.563 ' HG3' ' OE1' ' A' ' 127' ' ' GLN . 29.3 mtmm -98.21 93.06 6.03 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.981 0.42 . . . . 74.32 110.512 174.924 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 7.9 p-10 -90.01 -45.69 9.01 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.738 -0.664 . . . . 75.25 109.881 175.557 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 68.1 22.83 74.49 Favored Glycine 0 C--N 1.332 0.329 0 CA-C-N 115.973 -0.558 . . . . 71.22 112.69 179.039 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -96.88 130.0 44.24 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.628 0.251 . . . . 65.33 110.916 -177.832 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 133' ' ' VAL . . . . . 0.402 ' O ' HG11 ' A' ' 133' ' ' VAL . 7.2 t 60.47 29.61 0.12 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.352 0 CA-C-O 121.934 0.874 . . . . 73.51 109.965 179.527 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 27.8 tp -93.08 5.18 52.41 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 122.091 0.948 . . . . 75.14 109.784 179.725 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 135' ' ' SER . . . . . 0.485 ' HA ' ' HD3' ' A' ' 136' ' ' PRO . 40.5 p -126.22 135.78 27.63 Favored Pre-proline 0 C--N 1.315 -0.932 0 CA-C-N 114.435 -1.257 . . . . 65.02 109.418 178.172 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 136' ' ' PRO . . . . . 0.485 ' HD3' ' HA ' ' A' ' 135' ' ' SER . 7.9 Cg_exo -71.73 77.68 1.8 Allowed 'Trans proline' 0 N--CA 1.463 -0.318 0 C-N-CA 122.678 2.252 . . . . 73.32 112.552 -178.361 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 61.6 mt -88.27 -57.42 2.93 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 108.407 -0.96 . . . . 74.53 108.407 172.84 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 138' ' ' LYS . . . . . 0.423 ' HB3' ' HE3' ' A' ' 138' ' ' LYS . 1.4 tmmt? -137.45 93.6 12.61 Favored Pre-proline 0 C--N 1.322 -0.615 0 CA-C-N 114.812 -1.085 . . . . 75.53 108.146 171.025 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 1.0 OUTLIER -83.7 178.38 5.57 Favored 'Trans proline' 0 N--CA 1.458 -0.604 0 C-N-CA 123.196 2.597 . . . . 52.3 112.372 -176.4 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.081 0 CA-C-O 118.423 -0.799 . . . . 72.41 109.921 177.803 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 41.0 m . . . . . 0 N--CA 1.478 0.952 0 CA-C-O 120.857 0.361 . . . . 74.31 110.13 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . 0.422 ' HA ' ' HD3' ' A' ' 50' ' ' PRO . 15.6 t70 -126.72 110.17 22.61 Favored Pre-proline 0 C--N 1.324 -0.504 0 CA-C-N 116.388 -0.369 . . . . 60.13 110.748 -176.88 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . 0.422 ' HD3' ' HA ' ' A' ' 49' ' ' ASP . 4.8 Cg_exo -77.37 107.48 2.41 Favored 'Trans proline' 0 N--CA 1.46 -0.462 0 C-N-CA 123.223 2.615 . . . . 73.42 111.623 177.642 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 5.9 ptpp? -126.73 163.89 22.52 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.303 -0.408 . . . . 73.33 110.926 -178.104 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 70.8 mmtt -82.01 145.7 30.1 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.729 -0.669 . . . . 74.4 109.247 177.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 37.0 mtmm -83.06 121.86 27.58 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 109.909 -0.404 . . . . 74.3 109.909 177.325 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 51.6 ttm -70.31 111.7 6.09 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.112 -0.495 . . . . 71.14 110.651 -177.769 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 37.8 m -88.74 118.31 28.34 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.847 -0.615 . . . . 73.03 109.542 176.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 26.2 tptp -79.52 97.67 6.53 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.164 0.506 . . . . 73.52 110.281 -178.882 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 12.1 tp10 -80.28 150.8 29.87 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.832 -0.622 . . . . 72.04 109.71 179.586 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 15.2 ptt180 -68.89 131.17 44.68 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 109.971 -0.381 . . . . 74.52 109.971 178.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 56.3 mt -120.4 86.46 38.97 Favored Pre-proline 0 C--N 1.323 -0.56 0 CA-C-O 120.757 0.313 . . . . 75.14 111.137 -179.15 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . 0.431 ' O ' ' HD3' ' A' ' 62' ' ' PRO . 5.3 Cg_exo -81.53 -23.48 4.92 Favored 'Trans proline' 0 N--CA 1.461 -0.413 0 C-N-CA 123.112 2.541 . . . . 75.24 110.473 171.191 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 34.9 tt0 -110.8 91.91 13.52 Favored Pre-proline 0 C--N 1.325 -0.478 0 CA-C-N 114.718 -1.128 . . . . 74.24 109.267 178.442 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . 0.431 ' HD3' ' O ' ' A' ' 60' ' ' PRO . 83.8 Cg_endo -95.41 -159.81 0.06 OUTLIER 'Trans proline' 0 N--CA 1.45 -1.034 0 C-N-CA 123.308 2.672 . . . . 72.44 112.56 -176.457 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 23.7 tptp 58.58 62.8 1.85 Allowed 'General case' 0 C--O 1.234 0.251 0 CA-C-N 115.58 -0.737 . . . . 75.22 110.001 -179.545 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . 0.532 ' ND2' ' HB ' ' A' ' 66' ' ' VAL . 27.2 p-10 -102.13 146.29 28.16 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 121.825 0.821 . . . . 62.13 111.307 -178.44 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 39.2 p -69.23 -21.15 63.95 Favored 'General case' 0 C--N 1.315 -0.929 0 CA-C-N 114.527 -1.215 . . . . 74.33 110.811 -178.861 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.532 ' HB ' ' ND2' ' A' ' 64' ' ' ASN . 50.0 t -59.85 -44.05 93.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 115.296 -0.865 . . . . 73.03 110.283 177.305 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . 0.559 ' O ' ' HG2' ' A' ' 71' ' ' GLU . . . -65.99 -40.47 91.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.044 -0.525 . . . . 63.1 110.149 176.174 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 80.0 mmm -57.9 -42.17 84.14 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.666 -0.697 . . . . 71.32 111.382 178.622 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.825 ' HB3' HD13 ' A' ' 76' ' ' LEU . 1.2 mt -62.17 -35.92 80.29 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.279 -0.419 . . . . 73.13 110.993 -179.78 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 25.3 m-80 -67.39 -24.27 65.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.127 0.489 . . . . 72.43 110.466 178.838 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.559 ' HG2' ' O ' ' A' ' 67' ' ' ALA . 4.2 mm-40 -80.18 -22.71 41.63 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.686 -0.688 . . . . 44.31 110.504 178.806 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 72.6 mt -99.38 -67.14 0.86 Allowed 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.939 -0.573 . . . . 70.03 112.075 -176.294 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 1.1 tpp180 -132.46 125.44 30.71 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.583 -0.281 . . . . 75.23 110.994 -170.172 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 20.0 p-80 -77.99 167.36 21.6 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.309 -0.405 . . . . 72.32 110.16 174.817 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 82.88 36.03 16.95 Favored Glycine 0 N--CA 1.445 -0.739 0 C-N-CA 120.238 -0.982 . . . . 70.45 110.99 -178.08 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.825 HD13 ' HB3' ' A' ' 69' ' ' LEU . 1.2 pt? -100.76 100.82 11.55 Favored 'General case' 0 N--CA 1.45 -0.432 0 CA-C-O 121.323 0.582 . . . . 74.1 110.072 179.023 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . 0.514 ' O ' ' HA ' ' A' ' 96' ' ' VAL . 4.8 mp -102.96 115.35 44.77 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 CA-C-N 115.879 -0.601 . . . . 75.13 110.552 -178.797 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . 0.596 ' HH ' HD11 ' A' ' 69' ' ' LEU . 86.9 m-85 -94.65 124.43 38.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.283 -0.417 . . . . 75.41 110.101 177.421 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 17.7 ptpt -135.72 143.29 45.28 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 116.293 -0.412 . . . . 75.2 110.611 179.015 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 49.3 tp -84.26 106.0 15.54 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 109.229 -0.656 . . . . 74.12 109.229 177.673 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -89.14 -29.7 19.15 Favored 'General case' 0 C--N 1.325 -0.494 0 C-N-CA 120.294 -0.562 . . . . 75.31 111.666 -175.865 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 57.7 m -153.5 146.66 24.66 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.89 0.376 . . . . 54.51 110.981 178.739 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 22.1 tm0? -143.57 116.62 8.89 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 109.279 -0.637 . . . . 72.33 109.279 176.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 23.3 p -142.37 144.7 33.27 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.4 -0.364 . . . . 64.31 110.852 -177.301 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 135.58 179.96 17.13 Favored Glycine 0 N--CA 1.448 -0.51 0 C-N-CA 120.043 -1.075 . . . . 61.54 113.389 173.361 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 58.7 Cg_endo -71.58 -176.95 2.2 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 123.565 2.843 . . . . 65.51 112.466 -179.455 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 33.8 m -93.66 -20.81 6.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-O 120.76 0.314 . . . . 74.22 111.005 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 35.2 p-80 -81.74 -23.01 36.95 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.354 -0.384 . . . . 55.44 110.25 178.812 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -158.89 76.35 3.29 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-N 116.156 -0.475 . . . . 74.44 110.769 178.767 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . 0.624 ' O ' ' HA ' ' A' ' 108' ' ' ARG . 5.8 Cg_exo -75.67 155.03 39.8 Favored 'Trans proline' 0 N--CA 1.458 -0.587 0 C-N-CA 122.482 2.121 . . . . 61.42 111.595 179.884 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.492 HD11 ' NE2' ' A' ' 106' ' ' GLN . 3.2 tm? -109.63 116.43 31.72 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-O 121.456 0.646 . . . . 73.12 109.723 176.226 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . 0.415 ' O ' ' HA ' ' A' ' 106' ' ' GLN . 48.2 m-85 -103.04 134.5 46.38 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 115.065 -0.97 . . . . 74.5 109.317 177.631 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 18.6 m -118.19 101.63 8.37 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-O 121.023 0.439 . . . . 74.23 110.032 -179.263 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . 0.482 HG22 ' HA ' ' A' ' 114' ' ' ARG . 7.4 mm -99.29 129.2 50.12 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.755 0 CA-C-N 115.685 -0.689 . . . . 74.14 109.788 -179.52 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' SER . . . . . 0.514 ' HB2' ' HD3' ' A' ' 102' ' ' LYS . 1.7 p -108.07 131.55 54.48 Favored 'General case' 0 C--N 1.312 -1.046 0 CA-C-N 116.126 -0.488 . . . . 74.44 110.143 175.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . 0.514 ' HA ' ' O ' ' A' ' 77' ' ' ILE . 7.9 p -123.68 124.12 68.68 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.897 0 CA-C-O 121.273 0.559 . . . . 75.34 109.73 176.202 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 14.0 tt0 -97.98 108.22 20.87 Favored 'General case' 0 N--CA 1.437 -1.088 0 N-CA-C 109.311 -0.625 . . . . 72.1 109.311 179.228 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . 0.577 ' C ' ' H ' ' A' ' 100' ' ' GLY . 21.3 t -112.42 125.01 69.65 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.001 0 CA-C-N 115.538 -0.755 . . . . 72.12 109.78 -175.596 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 14.0 t70 69.49 -31.19 0.2 Allowed 'General case' 0 N--CA 1.472 0.657 0 O-C-N 123.992 0.807 . . . . 72.55 111.567 -174.805 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . 0.577 ' H ' ' C ' ' A' ' 98' ' ' VAL . . . 146.68 -12.13 1.51 Allowed Glycine 0 C--N 1.304 -1.201 0 N-CA-C 110.871 -0.892 . . . . 73.42 110.871 -175.275 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' GLN . . . . . 0.506 ' HB3' ' CE1' ' A' ' 103' ' ' TYR . 13.5 tp60 -87.89 133.45 33.91 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 109.005 -0.739 . . . . 73.04 109.005 176.566 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . 0.514 ' HD3' ' HB2' ' A' ' 95' ' ' SER . 0.5 OUTLIER -96.5 109.65 22.18 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 121.101 0.477 . . . . 71.35 110.241 -178.179 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' TYR . . . . . 0.506 ' CE1' ' HB3' ' A' ' 101' ' ' GLN . 76.2 m-85 -97.11 156.65 16.29 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.647 -0.706 . . . . 74.01 109.564 -179.629 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 12.0 tp -124.81 141.93 51.78 Favored 'General case' 0 C--N 1.321 -0.632 0 C-N-CA 120.847 -0.341 . . . . 74.22 111.003 -176.294 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . 0.426 ' HA3' ' N ' ' A' ' 117' ' ' ALA . . . -135.43 130.49 5.42 Favored Glycine 0 N--CA 1.444 -0.803 0 N-CA-C 111.279 -0.729 . . . . 54.33 111.279 175.881 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . 0.492 ' NE2' HD11 ' A' ' 91' ' ' LEU . 29.0 mt-30 -121.77 123.85 42.8 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-O 120.811 0.339 . . . . 74.0 110.423 -176.858 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -145.86 -179.5 22.13 Favored Glycine 0 N--CA 1.448 -0.564 0 C-N-CA 120.956 -0.64 . . . . 65.22 112.062 -177.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . 0.624 ' HA ' ' O ' ' A' ' 90' ' ' PRO . 25.2 mmt180 -83.91 -3.38 57.89 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.748 0.309 . . . . 73.2 111.709 -177.848 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' SER . . . . . 0.457 ' HB2' HG22 ' A' ' 112' ' ' VAL . 16.0 m -151.32 164.21 37.17 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 109.029 -0.73 . . . . 61.32 109.029 -178.244 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -59.66 -37.34 78.45 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.845 0.355 . . . . 74.23 110.334 179.203 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 79.7 tttt -66.75 -51.47 55.52 Favored 'General case' 0 N--CA 1.452 -0.335 0 CA-C-N 115.935 -0.575 . . . . 74.53 110.684 179.872 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . 0.457 HG22 ' HB2' ' A' ' 109' ' ' SER . 21.8 t -55.64 -51.26 60.5 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 CA-C-N 116.131 -0.486 . . . . 73.12 110.321 179.599 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -60.35 -38.73 84.75 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.779 -0.646 . . . . 73.12 111.235 -178.718 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 114' ' ' ARG . . . . . 0.482 ' HA ' HG22 ' A' ' 94' ' ' ILE . 17.7 ttm180 -63.43 -45.81 89.21 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.014 -0.539 . . . . 72.42 110.443 178.845 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 71.7 mt -62.76 -46.54 96.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-N 115.742 -0.663 . . . . 75.32 111.402 176.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -59.58 -37.93 79.82 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.824 0.345 . . . . 54.42 111.429 178.684 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . 0.504 ' HB2' HG11 ' A' ' 96' ' ' VAL . . . -62.62 -47.16 84.97 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.044 0.449 . . . . 72.2 110.733 176.858 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . 0.485 ' O ' ' HG ' ' A' ' 122' ' ' LEU . . . -66.45 -33.52 75.88 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.587 -0.733 . . . . 60.44 111.098 179.65 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -61.68 -42.11 98.48 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.296 -0.411 . . . . 73.51 110.882 179.386 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 120' ' ' THR . . . . . 0.898 ' HA ' ' HE ' ' A' ' 123' ' ' ARG . 62.7 m -66.94 -35.3 79.67 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.106 -0.497 . . . . 73.12 110.6 178.111 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -63.9 -45.83 87.55 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.149 -0.478 . . . . 74.34 110.467 176.48 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . 0.489 ' O ' HD13 ' A' ' 126' ' ' ILE . 62.4 mt -58.23 -51.72 68.56 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-N 116.33 -0.395 . . . . 73.55 111.253 -179.902 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 123' ' ' ARG . . . . . 0.898 ' HE ' ' HA ' ' A' ' 120' ' ' THR . 20.0 ptt180 -70.26 -9.43 55.9 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.207 -0.451 . . . . 73.1 111.595 -176.568 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 13.2 t -82.15 -28.82 31.94 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 109.252 -0.648 . . . . 74.43 109.252 174.255 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 29.6 m-85 -84.44 -55.17 4.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.722 -0.672 . . . . 74.31 110.073 179.731 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 126' ' ' ILE . . . . . 0.489 HD13 ' O ' ' A' ' 122' ' ' LEU . 0.2 OUTLIER -126.14 135.75 62.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-O 121.258 0.551 . . . . 74.21 110.653 -179.862 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 127' ' ' GLN . . . . . 0.401 ' NE2' ' H ' ' A' ' 127' ' ' GLN . 0.3 OUTLIER -94.27 164.24 13.11 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.572 -0.74 . . . . 75.33 109.555 177.152 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 62.5 m-85 -123.9 -28.82 3.74 Favored 'General case' 0 C--N 1.316 -0.862 0 C-N-CA 120.812 -0.355 . . . . 75.51 110.834 -177.52 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 34.7 mmtp -103.31 -179.12 3.86 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.252 -0.431 . . . . 62.24 110.651 179.167 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -90.87 26.38 2.1 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.258 0.551 . . . . 72.03 111.093 -178.795 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . -80.17 56.74 4.63 Favored Glycine 0 N--CA 1.45 -0.426 0 CA-C-N 115.937 -0.574 . . . . 63.4 111.817 177.531 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -72.3 -177.79 2.27 Favored 'General case' 0 C--N 1.326 -0.441 0 C-N-CA 122.499 0.32 . . . . 74.31 111.137 -178.899 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 92.4 t -54.51 121.09 2.64 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 116.39 -0.368 . . . . 74.14 111.205 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 56.0 tp -63.52 101.67 0.36 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.743 -0.662 . . . . 71.42 110.018 176.12 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 135' ' ' SER . . . . . 0.409 ' OG ' ' HD2' ' A' ' 136' ' ' PRO . 10.4 t -143.9 151.16 52.1 Favored Pre-proline 0 C--N 1.318 -0.773 0 N-CA-C 108.97 -0.752 . . . . 75.22 108.97 -176.406 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 136' ' ' PRO . . . . . 0.409 ' HD2' ' OG ' ' A' ' 135' ' ' SER . 77.5 Cg_endo -77.41 24.73 0.49 Allowed 'Trans proline' 0 C--O 1.234 0.289 0 C-N-CA 122.389 2.059 . . . . 74.22 113.454 -177.554 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 15.7 mt -77.59 99.97 5.95 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 115.701 -0.681 . . . . 74.52 109.379 179.269 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 23.6 pttm -132.58 119.79 16.39 Favored Pre-proline 0 C--N 1.321 -0.641 0 CA-C-N 115.861 -0.609 . . . . 74.03 111.009 -173.089 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 5.5 Cg_endo -86.94 136.3 4.2 Favored 'Trans proline' 0 N--CA 1.455 -0.754 0 C-N-CA 123.143 2.562 . . . . 74.15 111.709 175.216 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.081 0 CA-C-O 118.313 -0.851 . . . . 73.35 110.233 179.913 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 49.8 m . . . . . 0 N--CA 1.472 0.669 0 CA-C-O 120.942 0.401 . . . . 70.03 110.187 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 12.4 p-10 -140.25 80.48 19.66 Favored Pre-proline 0 C--N 1.324 -0.522 0 CA-C-O 121.523 0.678 . . . . 75.12 111.004 -179.621 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 88.1 Cg_endo -81.86 -8.11 12.25 Favored 'Trans proline' 0 N--CA 1.462 -0.346 0 C-N-CA 122.611 2.207 . . . . 71.42 112.166 178.887 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 10.1 ptpp? -86.43 138.6 31.64 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.104 -0.498 . . . . 63.41 110.837 -177.707 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 66.6 mttm -97.57 89.04 4.53 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 109.506 -0.553 . . . . 74.11 109.506 175.789 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 22.0 pttp -60.05 148.01 37.21 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.574 -0.739 . . . . 73.42 111.463 -175.391 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' MET . . . . . 0.403 ' HE3' ' HA ' ' A' ' 57' ' ' GLU . 9.4 tpt -65.03 118.28 8.9 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.435 -0.802 . . . . 75.12 111.376 -175.454 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 45.4 t -93.8 -53.91 3.83 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 109.244 -0.65 . . . . 73.43 109.244 176.512 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 16.6 ptpt -155.6 156.89 35.87 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.763 -0.653 . . . . 73.22 110.236 174.803 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.403 ' HA ' ' HE3' ' A' ' 54' ' ' MET . 6.8 pt-20 -87.96 159.81 18.17 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 116.114 -0.494 . . . . 74.03 111.718 -175.69 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 22.0 mtp180 -113.83 135.12 54.31 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.663 -0.699 . . . . 74.43 109.138 173.694 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.405 ' HA ' ' HD3' ' A' ' 60' ' ' PRO . 72.5 mt -56.96 118.02 21.23 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 123.461 0.475 . . . . 73.54 112.083 -173.795 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . 0.405 ' HD3' ' HA ' ' A' ' 59' ' ' ILE . 10.4 Cg_exo -71.24 164.53 35.41 Favored 'Trans proline' 0 C--N 1.345 0.39 0 C-N-CA 123.222 2.614 . . . . 72.02 111.58 178.161 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 27.4 mm-40 -107.01 152.91 41.16 Favored Pre-proline 0 C--N 1.321 -0.66 0 CA-C-N 116.204 -0.453 . . . . 72.23 110.359 -177.82 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 28.5 Cg_exo -62.86 167.33 12.21 Favored 'Trans proline' 0 C--N 1.344 0.333 0 C-N-CA 123.136 2.557 . . . . 64.43 112.755 -179.081 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 78.4 tttt 65.07 21.83 12.28 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-N 115.423 -0.808 . . . . 73.04 110.435 -177.582 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . 0.508 ' ND2' ' HB ' ' A' ' 66' ' ' VAL . 21.0 p-10 -81.56 143.9 31.67 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.793 0.806 . . . . 72.12 110.672 178.624 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' THR . . . . . 0.445 ' OG1' ' HB3' ' A' ' 118' ' ' ALA . 36.0 p -63.07 -21.81 66.42 Favored 'General case' 0 C--N 1.316 -0.855 0 CA-C-N 114.522 -1.217 . . . . 61.32 111.1 -179.125 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.508 ' HB ' ' ND2' ' A' ' 64' ' ' ASN . 48.3 t -61.86 -44.03 98.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 115.33 -0.85 . . . . 63.11 110.888 178.644 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -66.55 -38.99 88.32 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.203 0.525 . . . . 53.13 109.961 177.582 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 78.4 mmm -59.19 -42.46 90.92 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.336 -0.847 . . . . 73.41 110.662 178.35 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.714 ' HB3' HD12 ' A' ' 76' ' ' LEU . 3.2 mt -62.39 -36.95 83.91 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.768 -0.651 . . . . 74.13 111.384 179.179 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 25.5 m-80 -67.31 -21.63 65.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.33 -0.395 . . . . 73.15 110.999 -179.619 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 27.4 mt-10 -81.93 -27.09 33.52 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.867 0.365 . . . . 62.33 110.607 176.835 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 98.3 mt -87.01 -55.89 3.62 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.195 -0.457 . . . . 73.23 111.433 -176.734 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 30.7 mmt180 -137.39 177.38 7.91 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.96 0.41 . . . . 74.4 111.032 -175.579 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 29.0 p-80 -126.8 169.95 12.69 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.78 -0.645 . . . . 73.1 109.492 175.713 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 79.9 20.43 68.0 Favored Glycine 0 N--CA 1.449 -0.483 0 C-N-CA 120.791 -0.719 . . . . 75.23 111.902 -179.855 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.828 HD21 ' H ' ' A' ' 76' ' ' LEU . 0.9 OUTLIER -78.92 95.42 5.44 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.353 0.597 . . . . 71.3 110.596 -179.216 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . 0.583 ' O ' ' HA ' ' A' ' 96' ' ' VAL . 4.7 mt -88.14 111.83 22.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 115.702 -0.681 . . . . 75.35 111.138 -178.261 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . 0.673 ' HH ' HD11 ' A' ' 69' ' ' LEU . 97.1 m-85 -91.96 116.0 28.55 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 109.842 -0.429 . . . . 74.33 109.842 173.527 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 27.2 pttt -132.79 142.49 49.02 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 115.974 -0.557 . . . . 70.31 110.291 -179.066 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.512 HD22 ' HE2' ' A' ' 110' ' ' LYS . 36.9 tp -83.52 104.63 13.81 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 109.419 -0.586 . . . . 65.35 109.419 177.787 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -88.21 -36.78 16.59 Favored 'General case' 0 C--N 1.321 -0.643 0 C-N-CA 120.414 -0.514 . . . . 62.41 111.163 -176.762 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' SER . . . . . 0.527 ' HB2' ' HB ' ' A' ' 93' ' ' THR . 19.4 m -139.26 152.09 47.01 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.394 -0.366 . . . . 74.43 110.865 -175.568 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 19.1 tm0? -157.06 125.75 5.77 Favored 'General case' 0 C--O 1.235 0.295 0 N-CA-C 110.072 -0.344 . . . . 71.33 110.072 179.162 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 3.3 p -150.03 -163.93 1.9 Allowed 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.905 -0.589 . . . . 74.21 109.903 178.896 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 105.45 174.67 24.11 Favored Glycine 0 N--CA 1.453 -0.197 0 C-N-CA 120.653 -0.784 . . . . 60.25 113.385 170.422 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo -70.98 173.64 11.76 Favored 'Trans proline' 0 C--N 1.345 0.358 0 C-N-CA 123.318 2.679 . . . . 75.4 112.024 178.182 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 33.8 m -85.48 -19.78 8.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 C-N-CA 120.878 -0.329 . . . . 63.44 111.558 -178.824 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 39.5 p-80 -80.88 -29.26 35.72 Favored 'General case' 0 C--N 1.331 -0.234 0 C-N-CA 120.884 -0.327 . . . . 62.32 110.257 178.014 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . 0.479 ' HB2' ' HD2' ' A' ' 108' ' ' ARG . . . -156.61 77.82 4.13 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 116.441 -0.345 . . . . 72.52 110.634 -179.151 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . 0.593 ' O ' ' HA ' ' A' ' 108' ' ' ARG . 3.3 Cg_exo -70.49 160.28 50.04 Favored 'Trans proline' 0 N--CA 1.455 -0.778 0 C-N-CA 121.866 1.71 . . . . 71.31 111.938 -178.271 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.445 HD22 ' HB3' ' A' ' 106' ' ' GLN . 3.2 tm? -106.01 118.28 36.2 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-N 115.891 -0.595 . . . . 73.22 109.628 -179.631 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 52.7 m-85 -105.67 137.11 44.07 Favored 'General case' 0 C--N 1.315 -0.893 0 CA-C-N 115.417 -0.81 . . . . 72.33 109.454 179.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' THR . . . . . 0.527 ' HB ' ' HB2' ' A' ' 82' ' ' SER . 18.5 m -119.81 99.89 6.91 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 121.189 0.518 . . . . 74.11 110.164 -177.653 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . 0.528 HG23 ' HA ' ' A' ' 114' ' ' ARG . 5.3 mm -96.23 130.42 44.93 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.739 0 CA-C-N 115.413 -0.812 . . . . 73.55 109.816 179.609 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' SER . . . . . 0.578 ' HB2' ' HD3' ' A' ' 102' ' ' LYS . 2.6 p -107.28 133.69 51.46 Favored 'General case' 0 C--N 1.312 -1.044 0 CA-C-N 115.908 -0.587 . . . . 52.1 109.531 175.646 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . 0.583 ' HA ' ' O ' ' A' ' 77' ' ' ILE . 7.2 p -120.48 125.16 73.83 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.816 0 CA-C-O 121.368 0.604 . . . . 74.11 109.794 178.217 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 21.4 tt0 -99.8 115.57 29.86 Favored 'General case' 0 C--N 1.311 -1.077 0 CA-C-N 115.541 -0.754 . . . . 73.24 109.585 -178.84 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 21.9 t -132.59 121.48 45.22 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.841 0 CA-C-N 116.039 -0.528 . . . . 72.21 110.342 -175.854 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 34.1 t70 61.69 14.44 6.1 Favored 'General case' 0 N--CA 1.469 0.514 0 CA-C-O 121.524 0.678 . . . . 72.11 111.031 179.311 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 103.7 -12.65 53.7 Favored Glycine 0 N--CA 1.449 -0.496 0 C-N-CA 120.735 -0.745 . . . . 62.32 112.144 -178.545 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 17.4 mm-40 -90.79 131.23 36.57 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.914 0.387 . . . . 74.21 110.554 178.838 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . 0.578 ' HD3' ' HB2' ' A' ' 95' ' ' SER . 0.7 OUTLIER -101.41 105.04 16.02 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-N 115.868 -0.606 . . . . 74.1 110.135 -178.108 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 72.3 m-85 -95.42 156.89 16.13 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.559 -0.746 . . . . 74.13 110.006 -178.544 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 11.4 tp -124.51 142.67 51.16 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.039 0.447 . . . . 73.44 111.44 -175.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . 0.487 ' HA3' ' N ' ' A' ' 117' ' ' ALA . . . -138.21 130.88 5.17 Favored Glycine 0 N--CA 1.447 -0.615 0 CA-C-N 115.835 -0.62 . . . . 63.45 111.648 175.825 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . 0.445 ' HB3' HD22 ' A' ' 91' ' ' LEU . 30.3 mt-30 -115.64 130.78 56.99 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 120.812 0.339 . . . . 74.22 110.927 -178.374 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -150.63 177.03 28.94 Favored Glycine 0 N--CA 1.449 -0.469 0 C-N-CA 121.02 -0.61 . . . . 72.41 111.985 -178.199 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . 0.593 ' HA ' ' O ' ' A' ' 90' ' ' PRO . 31.6 mmt180 -88.48 6.44 37.71 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.954 0.407 . . . . 64.44 111.494 -177.492 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 50.9 m -160.21 164.56 32.7 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 108.707 -0.849 . . . . 74.1 108.707 177.821 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . 0.512 ' HE2' HD22 ' A' ' 80' ' ' LEU . 94.8 mttt -62.08 -30.97 71.37 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 121.284 0.564 . . . . 72.2 109.826 178.18 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 69.3 tttt -60.89 -55.8 28.74 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.2 -0.909 . . . . 71.24 110.881 176.796 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . 0.476 ' O ' ' HG2' ' A' ' 116' ' ' GLU . 21.4 t -61.6 -49.21 85.3 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 115.903 -0.589 . . . . 75.11 110.476 -177.651 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -58.95 -36.63 75.12 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.696 -0.684 . . . . 65.11 111.836 -175.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 114' ' ' ARG . . . . . 0.528 ' HA ' HG23 ' A' ' 94' ' ' ILE . 18.0 ttm180 -63.42 -45.3 91.6 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 121.047 0.451 . . . . 72.32 110.389 178.488 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 61.6 mt -65.94 -45.71 90.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.032 -0.531 . . . . 74.35 110.98 178.205 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . 0.476 ' HG2' ' O ' ' A' ' 112' ' ' VAL . 39.0 mm-40 -58.88 -36.87 75.36 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.493 -0.321 . . . . 75.32 111.597 178.366 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . 0.487 ' N ' ' HA3' ' A' ' 105' ' ' GLY . . . -63.81 -46.72 83.84 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.01 0.433 . . . . 74.44 110.75 177.928 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . 0.478 ' O ' ' HG ' ' A' ' 122' ' ' LEU . . . -66.4 -30.17 70.48 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.765 -0.652 . . . . 74.3 111.103 -179.837 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -59.76 -46.34 89.47 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.289 -0.414 . . . . 73.32 110.79 176.653 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 120' ' ' THR . . . . . 0.449 ' O ' ' HG2' ' A' ' 123' ' ' ARG . 37.2 m -61.35 -38.83 88.35 Favored 'General case' 0 C--O 1.234 0.237 0 CA-C-O 121.296 0.57 . . . . 74.21 110.548 176.876 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -62.39 -51.39 67.78 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.793 -0.639 . . . . 74.04 110.915 179.179 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . 0.478 ' HG ' ' O ' ' A' ' 118' ' ' ALA . 58.7 mt -53.73 -47.65 70.39 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.299 -0.41 . . . . 74.33 111.618 -177.526 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 123' ' ' ARG . . . . . 0.449 ' HG2' ' O ' ' A' ' 120' ' ' THR . 4.9 ptp180 -68.41 -19.87 64.63 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.759 0.314 . . . . 73.25 111.401 -175.946 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 26.2 t -78.68 -24.31 45.14 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.652 0.263 . . . . 71.52 110.375 176.465 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 82.3 m-85 -85.96 -55.87 3.74 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 109.828 -0.434 . . . . 60.12 109.828 176.085 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 126' ' ' ILE . . . . . 0.413 ' O ' ' HA ' ' A' ' 123' ' ' ARG . 0.2 OUTLIER -132.54 143.67 39.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-O 121.175 0.512 . . . . 64.2 110.629 178.532 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 1.1 pp0? -123.24 174.39 7.32 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 109.323 -0.621 . . . . 72.13 109.323 175.298 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 52.4 m-85 -125.55 8.38 7.68 Favored 'General case' 0 C--N 1.322 -0.621 0 C-N-CA 120.379 -0.528 . . . . 63.12 111.499 -176.234 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . 0.543 ' HB3' ' HZ1' ' A' ' 129' ' ' LYS . 9.8 mtpm? 55.81 42.77 28.68 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-O 121.456 0.646 . . . . 64.11 109.626 -175.201 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -53.83 -49.28 68.74 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 114.632 -1.167 . . . . 74.32 111.852 -174.517 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 68.63 37.53 84.94 Favored Glycine 0 N--CA 1.449 -0.464 0 C-N-CA 120.719 -0.753 . . . . 60.13 112.048 -177.793 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -106.47 164.62 11.9 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 110.197 -0.298 . . . . 62.55 110.197 179.501 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 23.9 m -114.72 137.96 46.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-O 121.259 0.552 . . . . 72.34 110.723 -179.427 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 7.3 mp -81.22 83.31 6.87 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.977 -0.556 . . . . 75.45 109.941 178.686 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 135' ' ' SER . . . . . 0.584 ' HB2' ' HD3' ' A' ' 136' ' ' PRO . 38.0 m -65.45 -46.76 69.87 Favored Pre-proline 0 C--N 1.324 -0.508 0 CA-C-N 115.522 -0.763 . . . . 74.54 111.96 179.302 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 136' ' ' PRO . . . . . 0.584 ' HD3' ' HB2' ' A' ' 135' ' ' SER . 2.6 Cg_endo -82.76 58.46 6.43 Favored 'Trans proline' 0 C--N 1.351 0.69 0 C-N-CA 122.231 1.954 . . . . 61.22 111.377 173.854 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -62.69 147.57 49.16 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.661 -0.7 . . . . 74.2 110.791 -179.825 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 138' ' ' LYS . . . . . 0.519 ' HD2' ' HD2' ' A' ' 139' ' ' PRO . 27.4 tptp -120.59 113.36 33.46 Favored Pre-proline 0 C--N 1.321 -0.664 0 CA-C-N 115.883 -0.599 . . . . 75.55 110.627 -178.184 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 139' ' ' PRO . . . . . 0.519 ' HD2' ' HD2' ' A' ' 138' ' ' LYS . 32.9 Cg_endo -65.99 140.76 61.54 Favored 'Trans proline' 0 C--O 1.235 0.352 0 C-N-CA 122.29 1.994 . . . . 72.25 111.02 173.444 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.245 0.861 0 CA-C-O 118.535 -0.745 . . . . 73.22 110.609 -176.791 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 64' ' ' ASN . . . . . 0.719 HD21 ' N ' ' A' ' 64' ' ' ASN . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.337 0 CA-C-O 121.626 0.727 . . . . 64.21 110.913 . . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 24.1 p -61.16 -28.32 69.04 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 114.856 -1.066 . . . . 74.14 112.468 -175.049 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.493 HG11 ' HG2' ' A' ' 114' ' ' ARG . 1.9 m -65.39 -29.95 48.74 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.148 0 CA-C-O 121.032 0.444 . . . . 75.42 110.283 -177.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.435 ' O ' ' HG2' ' A' ' 71' ' ' GLU . . . -73.26 -39.44 65.42 Favored 'General case' 0 N--CA 1.451 -0.412 0 N-CA-C 109.417 -0.586 . . . . 52.22 109.417 176.851 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 69.0 mmm -57.46 -46.52 83.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.116 -0.947 . . . . 72.22 110.651 176.562 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -59.18 -36.75 75.88 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.925 -0.579 . . . . 63.21 111.436 179.684 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 23.4 m-80 -70.56 -19.99 62.83 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.021 0.438 . . . . 72.25 110.711 -178.347 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.435 ' HG2' ' O ' ' A' ' 67' ' ' ALA . 5.7 mm-40 -84.52 -20.96 30.76 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.899 -0.591 . . . . 74.2 110.412 176.921 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 85.1 mt -90.88 -71.79 0.61 Allowed 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.816 -0.629 . . . . 74.32 111.377 -178.491 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 28.8 mmm180 -128.9 139.35 52.17 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.266 -0.424 . . . . 74.11 110.837 -172.529 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 5.0 p-80 -93.38 172.3 8.37 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 109.407 -0.59 . . . . 71.34 109.407 173.28 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 89.55 10.88 64.88 Favored Glycine 0 N--CA 1.447 -0.631 0 C-N-CA 120.506 -0.854 . . . . 72.31 111.058 -176.868 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.821 ' H ' HD23 ' A' ' 76' ' ' LEU . 2.0 pt? -84.99 117.45 23.98 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.219 0.533 . . . . 74.13 110.356 -178.931 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 77' ' ' ILE . . . . . 0.579 ' O ' ' HA ' ' A' ' 96' ' ' VAL . 3.8 mp -109.21 110.95 34.0 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 CA-C-N 116.105 -0.498 . . . . 73.15 110.573 179.69 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 78' ' ' TYR . . . . . 0.453 ' CD1' ' HG3' ' A' ' 114' ' ' ARG . 98.8 m-85 -88.46 108.96 19.65 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 109.862 -0.421 . . . . 74.15 109.862 174.132 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 30.8 pttt -127.56 134.9 49.71 Favored 'General case' 0 C--N 1.316 -0.878 0 CA-C-N 116.028 -0.533 . . . . 71.42 110.571 -176.119 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 45.1 tp -78.92 97.48 6.03 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 109.318 -0.623 . . . . 74.21 109.318 178.093 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -78.41 -28.73 46.89 Favored 'General case' 0 C--N 1.325 -0.476 0 C-N-CA 120.606 -0.437 . . . . 72.24 111.328 -174.446 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 49.1 m -152.46 142.82 22.55 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 120.679 0.276 . . . . 70.21 110.342 178.784 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 22.7 tm0? -131.67 124.05 29.05 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 109.445 -0.576 . . . . 73.51 109.445 176.782 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 9.5 p -146.83 -163.51 1.77 Allowed 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.918 -0.583 . . . . 64.1 110.176 -176.718 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 102.3 176.63 27.57 Favored Glycine 0 N--CA 1.449 -0.489 0 C-N-CA 121.078 -0.582 . . . . 40.22 113.086 170.753 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 62.9 Cg_endo -72.4 -173.6 1.18 Allowed 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 123.124 2.549 . . . . 74.02 112.091 175.367 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 14.1 p -95.92 -26.72 4.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-O 121.089 0.471 . . . . 61.31 110.252 178.941 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 43.7 p-80 -76.38 -23.16 54.08 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.02 -0.536 . . . . 65.45 110.352 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 89' ' ' ALA . . . . . 0.428 ' HB1' ' HD2' ' A' ' 108' ' ' ARG . . . -165.62 75.91 1.3 Allowed Pre-proline 0 C--N 1.331 -0.211 0 CA-C-N 116.189 -0.459 . . . . 64.34 110.458 179.627 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 90' ' ' PRO . . . . . 0.669 ' O ' ' HA ' ' A' ' 108' ' ' ARG . 7.1 Cg_exo -65.39 164.62 25.21 Favored 'Trans proline' 0 N--CA 1.46 -0.496 0 C-N-CA 122.132 1.888 . . . . 62.33 112.168 -176.649 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.415 HD11 ' HB3' ' A' ' 106' ' ' GLN . 2.7 tm? -111.81 114.05 26.78 Favored 'General case' 0 C--N 1.317 -0.806 0 N-CA-C 109.309 -0.626 . . . . 71.41 109.309 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.451 ' O ' ' HA ' ' A' ' 106' ' ' GLN . 25.4 m-85 -103.76 133.22 49.11 Favored 'General case' 0 C--N 1.315 -0.928 0 CA-C-N 115.101 -0.954 . . . . 74.13 109.198 179.327 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 93' ' ' THR . . . . . 0.429 HG22 HD11 ' A' ' 104' ' ' LEU . 37.8 m -115.45 101.07 8.56 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-O 121.214 0.531 . . . . 64.04 110.291 -177.471 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 94' ' ' ILE . . . . . 0.484 HG21 ' HA ' ' A' ' 114' ' ' ARG . 6.5 mm -97.35 128.74 48.34 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.717 0 CA-C-N 115.409 -0.814 . . . . 72.24 110.1 -179.726 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 95' ' ' SER . . . . . 0.579 ' CB ' ' HD3' ' A' ' 102' ' ' LYS . 2.3 p -109.79 122.7 48.1 Favored 'General case' 0 C--N 1.311 -1.095 0 CA-C-N 115.717 -0.674 . . . . 60.35 110.034 177.081 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.579 ' HA ' ' O ' ' A' ' 77' ' ' ILE . 11.8 p -110.73 124.17 67.28 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.846 0 CA-C-O 121.368 0.604 . . . . 55.24 109.71 174.263 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 22.2 tt0 -100.57 116.69 33.08 Favored 'General case' 0 C--N 1.314 -0.969 0 CA-C-N 115.799 -0.637 . . . . 74.02 109.47 179.743 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 17.9 t -130.87 122.5 52.29 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.7 0 CA-C-N 116.027 -0.533 . . . . 72.31 110.301 -177.163 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 55.43 25.3 7.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.233 -0.894 . . . . 72.42 112.309 178.538 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 96.31 -4.98 65.03 Favored Glycine 0 N--CA 1.449 -0.465 0 C-N-CA 120.803 -0.713 . . . . 34.42 112.925 177.83 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 9.3 mm100 -106.27 124.95 50.38 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-O 121.075 0.464 . . . . 62.22 110.641 177.438 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 102' ' ' LYS . . . . . 0.579 ' HD3' ' CB ' ' A' ' 95' ' ' SER . 3.2 tmmm? -92.58 114.03 26.46 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 115.58 -0.736 . . . . 64.55 109.618 -179.606 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 59.6 m-85 -100.3 134.38 43.31 Favored 'General case' 0 C--N 1.316 -0.886 0 CA-C-N 115.655 -0.702 . . . . 74.34 109.16 177.972 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.429 HD11 HG22 ' A' ' 93' ' ' THR . 13.2 tp -109.01 140.34 42.66 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 120.803 0.335 . . . . 55.1 111.005 -173.362 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 105' ' ' GLY . . . . . 0.41 ' HA3' ' N ' ' A' ' 117' ' ' ALA . . . -135.38 130.24 5.34 Favored Glycine 0 N--CA 1.445 -0.748 0 N-CA-C 111.281 -0.728 . . . . 71.05 111.281 177.091 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 106' ' ' GLN . . . . . 0.451 ' HA ' ' O ' ' A' ' 92' ' ' PHE . 32.9 mt-30 -122.23 112.43 18.16 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 121.167 0.508 . . . . 75.22 110.932 -176.328 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -132.71 -176.48 14.43 Favored Glycine 0 N--CA 1.447 -0.592 0 C-N-CA 120.879 -0.677 . . . . 74.21 111.657 -176.827 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 108' ' ' ARG . . . . . 0.669 ' HA ' ' O ' ' A' ' 90' ' ' PRO . 11.1 mmt180 -90.11 6.75 41.16 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.166 0.508 . . . . 75.01 111.186 -176.31 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 61.4 m -161.85 161.55 29.01 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 108.788 -0.819 . . . . 72.32 108.788 178.228 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 94.5 mttt -52.59 -42.98 65.02 Favored 'General case' 0 N--CA 1.467 0.419 0 CA-C-O 121.194 0.521 . . . . 70.22 110.613 177.529 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 42.1 tttp -61.59 -53.22 59.17 Favored 'General case' 0 N--CA 1.452 -0.333 0 CA-C-N 115.254 -0.885 . . . . 64.45 110.881 -177.921 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 22.0 t -57.83 -49.68 80.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 115.819 -0.628 . . . . 62.22 110.954 178.714 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -60.49 -38.08 83.15 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.067 -0.515 . . . . 64.42 111.279 -178.015 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 114' ' ' ARG . . . . . 0.493 ' HG2' HG11 ' A' ' 66' ' ' VAL . 40.0 ttm180 -62.94 -46.81 86.02 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.938 -0.574 . . . . 70.23 110.135 178.786 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 79.6 mt -56.09 -50.04 72.39 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.484 0 CA-C-N 115.623 -0.717 . . . . 73.23 111.172 174.281 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -56.78 -41.58 77.92 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.943 0.402 . . . . 51.15 111.416 -179.238 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 117' ' ' ALA . . . . . 0.552 ' HB1' HG12 ' A' ' 96' ' ' VAL . . . -62.14 -45.83 91.71 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.168 0.508 . . . . 34.41 111.046 179.61 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 118' ' ' ALA . . . . . 0.557 ' O ' ' HG ' ' A' ' 122' ' ' LEU . . . -69.14 -30.43 68.67 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.685 -0.689 . . . . 61.33 111.625 -176.771 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -59.78 -47.76 84.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.041 0.448 . . . . 61.11 110.605 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 25.8 m -58.84 -40.77 85.2 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.809 -0.632 . . . . 72.03 110.598 177.484 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -63.27 -42.15 99.1 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.832 -0.622 . . . . 51.54 111.226 -179.257 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 122' ' ' LEU . . . . . 0.557 ' HG ' ' O ' ' A' ' 118' ' ' ALA . 65.7 mt -57.77 -51.63 68.78 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.296 -0.411 . . . . 64.32 111.329 -177.085 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 2.5 ptm180 -68.31 -17.73 64.34 Favored 'General case' 0 CA--C 1.533 0.293 0 CA-C-O 121.125 0.488 . . . . 71.35 110.556 -176.707 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 22.8 t -72.86 -30.09 63.71 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.172 -0.467 . . . . 60.32 110.505 176.615 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 62.9 m-85 -89.28 -64.05 1.2 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.047 0.451 . . . . 74.01 110.332 179.511 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 126' ' ' ILE . . . . . 0.588 HD13 ' H ' ' A' ' 126' ' ' ILE . 0.2 OUTLIER . . . . . 0 C--N 1.323 -0.561 0 CA-C-O 121.325 0.583 . . . . 60.11 109.827 178.77 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 64' ' ' ASN . . . . . 0.696 HD21 ' N ' ' A' ' 64' ' ' ASN . 0.0 OUTLIER . . . . . 0 CA--C 1.512 -0.497 0 CA-C-O 121.16 0.505 . . . . 55.12 110.563 . . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 32.5 p -57.24 -29.33 63.7 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.226 -0.897 . . . . 61.33 110.853 178.272 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.525 HG13 ' CZ ' ' A' ' 78' ' ' TYR . 29.6 t -56.66 -48.31 80.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 115.257 -0.883 . . . . 64.43 110.599 176.888 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.567 ' O ' ' HG3' ' A' ' 71' ' ' GLU . . . -65.86 -36.79 84.43 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.942 -0.572 . . . . 74.34 110.271 178.798 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 68' ' ' MET . . . . . 0.475 ' HB2' HD11 ' A' ' 122' ' ' LEU . 70.9 mmm -59.49 -45.38 91.85 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.746 -0.661 . . . . 72.34 110.752 177.68 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.58 ' HB3' HD13 ' A' ' 76' ' ' LEU . 1.1 mt -62.32 -33.35 74.51 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.924 -0.58 . . . . 75.53 110.958 179.787 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 27.1 m-80 -69.93 -21.09 63.31 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.217 -0.447 . . . . 54.23 110.594 178.843 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.567 ' HG3' ' O ' ' A' ' 67' ' ' ALA . 30.7 mt-10 -85.04 -20.36 30.55 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.056 -0.52 . . . . 73.31 110.226 178.18 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 93.5 mt -94.92 -66.29 0.92 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.128 -0.487 . . . . 74.31 111.622 -178.192 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 10.7 mmt180 -117.16 172.94 6.95 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.167 0.508 . . . . 74.22 111.502 -176.063 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 6.7 p-80 -125.75 164.55 20.41 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.469 -0.787 . . . . 75.04 109.328 174.548 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 80.42 21.15 65.11 Favored Glycine 0 N--CA 1.448 -0.559 0 C-N-CA 120.209 -0.996 . . . . 60.03 111.191 -179.039 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.88 ' H ' HD23 ' A' ' 76' ' ' LEU . 1.4 pt? -85.52 102.2 13.31 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.357 0.598 . . . . 74.5 110.075 179.631 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 77' ' ' ILE . . . . . 0.545 ' O ' ' HA ' ' A' ' 96' ' ' VAL . 3.4 mp -93.99 112.05 26.17 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.768 0 CA-C-N 115.837 -0.62 . . . . 64.5 110.85 -178.181 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 78' ' ' TYR . . . . . 0.525 ' CZ ' HG13 ' A' ' 66' ' ' VAL . 97.9 m-85 -89.32 108.92 19.9 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 109.609 -0.515 . . . . 75.33 109.609 173.016 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 79' ' ' LYS . . . . . 0.456 ' HG3' ' OG ' ' A' ' 95' ' ' SER . 31.5 pttt -127.95 128.38 44.99 Favored 'General case' 0 C--N 1.314 -0.949 0 CA-C-N 115.806 -0.634 . . . . 44.0 110.408 -175.236 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 43.8 tp -74.13 99.49 3.39 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.029 -0.532 . . . . 73.32 109.656 179.096 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 81' ' ' GLU . . . . . 0.43 ' OE1' ' HB3' ' A' ' 95' ' ' SER . 6.1 pt-20 -82.44 -29.0 30.96 Favored 'General case' 0 C--N 1.323 -0.582 0 C-N-CA 120.449 -0.501 . . . . 74.3 111.136 -174.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 24.9 m -151.78 149.6 29.21 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.796 0.331 . . . . 72.11 111.403 -178.676 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 22.8 tm0? -149.82 117.55 6.22 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 109.346 -0.613 . . . . 64.4 109.346 173.735 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 2.7 p -151.63 154.81 37.13 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.09 -0.504 . . . . 74.31 110.047 -179.876 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 139.56 176.08 14.62 Favored Glycine 0 N--CA 1.448 -0.525 0 C-N-CA 120.457 -0.878 . . . . 44.24 112.811 175.887 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -68.23 171.78 12.14 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.924 2.416 . . . . 73.24 111.899 179.355 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 14.6 p -80.81 -27.86 11.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-O 120.74 0.305 . . . . 74.42 110.987 -178.474 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 35.8 p-80 -75.11 -26.99 59.68 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 120.817 0.341 . . . . 74.02 110.624 179.529 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -153.41 77.14 6.06 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 116.229 -0.441 . . . . 64.21 110.623 178.667 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 90' ' ' PRO . . . . . 0.449 ' O ' ' HA ' ' A' ' 108' ' ' ARG . 57.8 Cg_endo -78.49 142.65 18.66 Favored 'Trans proline' 0 N--CA 1.458 -0.592 0 C-N-CA 122.234 1.956 . . . . 75.31 111.456 178.677 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.4 HD11 ' HB3' ' A' ' 106' ' ' GLN . 22.0 tp -99.29 131.61 45.19 Favored 'General case' 0 C--N 1.316 -0.858 0 CA-C-O 121.426 0.632 . . . . 74.34 110.767 -178.235 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.419 ' O ' ' HA ' ' A' ' 106' ' ' GLN . 11.0 m-85 -114.33 135.6 53.9 Favored 'General case' 0 C--N 1.313 -1.008 0 CA-C-N 115.093 -0.958 . . . . 73.0 108.654 177.958 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 93' ' ' THR . . . . . 0.471 HG22 HD11 ' A' ' 104' ' ' LEU . 24.7 m -120.19 100.83 7.42 Favored 'General case' 0 C--N 1.313 -0.99 0 CA-C-O 121.314 0.578 . . . . 43.2 110.388 -176.223 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 94' ' ' ILE . . . . . 0.446 HG21 ' HA ' ' A' ' 114' ' ' ARG . 7.4 mm -97.45 127.82 49.36 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.792 0 CA-C-N 115.308 -0.86 . . . . 72.04 109.888 -178.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 95' ' ' SER . . . . . 0.571 ' HB2' ' HD3' ' A' ' 102' ' ' LYS . 6.4 p -106.92 123.28 47.94 Favored 'General case' 0 C--N 1.312 -1.03 0 CA-C-N 115.634 -0.712 . . . . 64.54 109.753 178.36 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.545 ' HA ' ' O ' ' A' ' 77' ' ' ILE . 12.6 p -116.28 128.23 73.65 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 CA-C-O 121.401 0.619 . . . . 63.12 109.883 175.938 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 12.0 tt0 -101.64 111.91 24.3 Favored 'General case' 0 C--N 1.315 -0.921 0 CA-C-N 115.79 -0.641 . . . . 74.45 109.648 -177.788 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 98' ' ' VAL . . . . . 0.423 HG23 HG22 ' A' ' 96' ' ' VAL . 62.0 t -132.47 124.0 50.83 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.784 0 CA-C-N 116.113 -0.494 . . . . 64.12 110.46 -175.523 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 2.1 t70 60.57 21.99 11.78 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-N 115.723 -0.671 . . . . 63.23 111.06 177.937 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 93.72 -13.88 66.51 Favored Glycine 0 C--N 1.331 0.297 0 C-N-CA 120.941 -0.647 . . . . 74.2 112.204 -179.294 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 13.3 mm100 -93.03 127.87 38.71 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 121.192 0.52 . . . . 72.1 110.289 178.214 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 102' ' ' LYS . . . . . 0.571 ' HD3' ' HB2' ' A' ' 95' ' ' SER . 2.5 tmmm? -93.85 106.07 18.06 Favored 'General case' 0 C--N 1.315 -0.911 0 CA-C-N 115.58 -0.736 . . . . 71.22 109.549 179.183 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 103' ' ' TYR . . . . . 0.49 ' HB3' ' HB ' ' A' ' 120' ' ' THR . 79.5 m-85 -93.76 130.85 39.59 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-N 115.376 -0.829 . . . . 55.22 109.594 179.656 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.471 HD11 HG22 ' A' ' 93' ' ' THR . 13.3 tp -104.43 139.07 39.9 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-O 120.982 0.42 . . . . 44.42 110.752 -176.11 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 105' ' ' GLY . . . . . 0.443 ' HA3' ' N ' ' A' ' 117' ' ' ALA . . . -128.89 125.67 5.01 Favored Glycine 0 N--CA 1.44 -1.075 0 N-CA-C 111.329 -0.708 . . . . 72.15 111.329 177.081 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 106' ' ' GLN . . . . . 0.419 ' HA ' ' O ' ' A' ' 92' ' ' PHE . 21.2 mt-30 -120.04 122.97 42.3 Favored 'General case' 0 C--N 1.317 -0.812 0 N-CA-C 109.919 -0.4 . . . . 71.34 109.919 -177.954 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -143.11 -176.39 17.12 Favored Glycine 0 N--CA 1.447 -0.619 0 N-CA-C 111.575 -0.61 . . . . 44.23 111.575 -178.745 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 108' ' ' ARG . . . . . 0.449 ' HA ' ' O ' ' A' ' 90' ' ' PRO . 24.8 mmt180 -88.04 2.91 50.74 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.133 0.492 . . . . 52.11 110.873 -176.84 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 35.6 m -160.87 165.48 30.07 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 109.317 -0.623 . . . . 74.11 109.317 -179.762 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 91.7 mttt -56.68 -42.8 79.69 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-O 121.199 0.523 . . . . 63.31 109.852 176.203 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 43.3 tttt -52.92 -54.57 32.9 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-N 114.707 -1.133 . . . . 73.41 110.913 178.375 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 112' ' ' VAL . . . . . 0.507 ' O ' ' HG2' ' A' ' 116' ' ' GLU . 26.3 t -64.64 -51.18 70.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 115.476 -0.784 . . . . 70.11 110.729 -178.066 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -57.8 -39.95 78.77 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.949 -0.569 . . . . 62.1 111.962 -176.11 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 114' ' ' ARG . . . . . 0.508 ' HG3' ' CD1' ' A' ' 78' ' ' TYR . 41.0 ttm180 -65.51 -44.37 87.21 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.872 0.367 . . . . 64.0 110.617 179.908 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 115' ' ' ILE . . . . . 0.415 HG12 ' HB2' ' A' ' 64' ' ' ASN . 72.8 mt -60.19 -49.03 85.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 115.938 -0.574 . . . . 75.12 110.784 174.588 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 116' ' ' GLU . . . . . 0.507 ' HG2' ' O ' ' A' ' 112' ' ' VAL . 29.7 mm-40 -57.54 -40.38 78.69 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.463 -0.335 . . . . 74.15 111.545 179.091 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 117' ' ' ALA . . . . . 0.46 ' HB1' HG12 ' A' ' 96' ' ' VAL . . . -61.56 -47.44 85.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.117 0.484 . . . . 44.41 110.5 178.749 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 118' ' ' ALA . . . . . 0.463 ' O ' ' HG ' ' A' ' 122' ' ' LEU . . . -67.91 -32.23 72.56 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.67 -0.696 . . . . 64.24 110.915 179.806 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -64.16 -38.12 89.93 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.167 -0.47 . . . . 75.11 110.373 177.88 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 120' ' ' THR . . . . . 0.49 ' HB ' ' HB3' ' A' ' 103' ' ' TYR . 27.3 m -62.56 -40.69 97.65 Favored 'General case' 0 N--CA 1.452 -0.351 0 CA-C-O 121.336 0.589 . . . . 43.2 110.045 176.426 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -64.9 -52.14 58.14 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.54 -0.754 . . . . 74.25 111.155 178.659 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 122' ' ' LEU . . . . . 0.475 HD11 ' HB2' ' A' ' 68' ' ' MET . 62.0 mt -56.33 -47.87 77.89 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.328 -0.396 . . . . 73.04 111.518 -177.887 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 14.8 ptp180 -69.48 -16.09 63.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.354 -0.385 . . . . 74.32 110.94 -177.036 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 21.7 t -81.98 -28.16 32.81 Favored 'General case' 0 N--CA 1.453 -0.31 0 N-CA-C 109.879 -0.415 . . . . 62.2 109.879 176.542 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 25.0 m-85 -80.72 -56.16 4.33 Favored 'General case' 0 N--CA 1.451 -0.408 0 CA-C-N 116.015 -0.539 . . . . 60.51 110.201 179.52 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 126' ' ' ILE . . . . . 0.422 HD13 ' H ' ' A' ' 126' ' ' ILE . 0.2 OUTLIER . . . . . 0 C--O 1.233 0.196 0 CA-C-N 116.264 -0.425 . . . . 61.44 111.16 -176.892 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 64' ' ' ASN . . . . . 0.634 ' OD1' ' HB ' ' A' ' 66' ' ' VAL . 8.5 p30 . . . . . 0 C--O 1.235 0.339 0 CA-C-O 122.194 0.997 . . . . 61.34 111.691 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 25.2 p -72.7 -16.81 61.67 Favored 'General case' 0 C--N 1.313 -1.007 0 CA-C-N 114.182 -1.372 . . . . 73.24 110.805 -179.763 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.634 ' HB ' ' OD1' ' A' ' 64' ' ' ASN . 65.3 t -60.75 -48.86 86.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 115.589 -0.732 . . . . 71.32 110.177 177.253 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.536 ' O ' ' HG3' ' A' ' 71' ' ' GLU . . . -63.69 -40.21 96.22 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.798 -0.637 . . . . 64.12 109.957 176.975 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 77.5 mmm -56.68 -42.18 78.6 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.527 -0.761 . . . . 75.21 111.381 177.539 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.709 ' HB3' HD13 ' A' ' 76' ' ' LEU . 2.9 mt -63.07 -37.33 86.77 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.477 -0.329 . . . . 75.51 111.026 -179.784 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 27.3 m-80 -64.78 -24.32 67.52 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.091 0.472 . . . . 73.24 110.514 179.103 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.536 ' HG3' ' O ' ' A' ' 67' ' ' ALA . 29.9 mt-10 -86.45 -18.73 30.96 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.776 -0.647 . . . . 71.32 110.862 179.743 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 55.7 mt -96.67 -65.08 0.99 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.858 0.361 . . . . 63.33 111.602 -178.062 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -134.83 117.07 15.52 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 120.873 0.368 . . . . 72.44 111.1 -173.433 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 11.4 p-80 -73.72 159.8 32.45 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.899 -0.591 . . . . 74.32 110.14 174.275 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 93.07 30.5 9.3 Favored Glycine 0 N--CA 1.446 -0.638 0 C-N-CA 120.37 -0.919 . . . . 43.4 111.131 -175.636 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.846 ' H ' HD23 ' A' ' 76' ' ' LEU . 1.3 pt? -98.25 114.82 27.21 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.01 0.434 . . . . 75.23 110.454 -179.57 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 77' ' ' ILE . . . . . 0.48 ' O ' ' HA ' ' A' ' 96' ' ' VAL . 4.2 mp -114.77 110.37 31.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-N 116.146 -0.479 . . . . 71.41 110.589 -178.609 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 78' ' ' TYR . . . . . 0.468 ' CD1' ' HG3' ' A' ' 114' ' ' ARG . 90.9 m-85 -90.16 123.08 33.69 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 110.274 -0.269 . . . . 74.0 110.274 177.665 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 16.8 ptpt -132.27 144.08 50.35 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 116.139 -0.482 . . . . 75.31 110.287 179.098 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 49.1 tp -87.48 100.61 12.89 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 109.1 -0.704 . . . . 72.21 109.1 177.728 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -85.82 -27.24 25.25 Favored 'General case' 0 C--N 1.325 -0.483 0 C-N-CA 120.519 -0.472 . . . . 72.23 111.7 -173.215 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 70.7 m -156.86 153.48 28.3 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.943 0.401 . . . . 75.33 111.074 -178.793 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 23.2 tm0? -149.98 116.57 5.82 Favored 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 108.592 -0.892 . . . . 70.5 108.592 178.266 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 22.5 p -147.62 157.4 43.54 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 116.324 -0.398 . . . . 63.55 110.854 -174.064 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 129.22 -165.06 22.04 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.253 -0.975 . . . . 53.25 112.825 172.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -75.15 177.04 9.14 Favored 'Trans proline' 0 N--CA 1.462 -0.373 0 C-N-CA 122.932 2.421 . . . . 64.24 111.887 177.314 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 13.2 p -92.21 -27.13 4.77 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-O 120.898 0.38 . . . . 73.31 110.319 -179.317 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 49.7 p-80 -75.91 -23.85 55.56 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.254 -0.43 . . . . 73.44 110.358 -179.682 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 89' ' ' ALA . . . . . 0.439 ' HB1' ' HD2' ' A' ' 108' ' ' ARG . . . -155.59 72.59 5.43 Favored Pre-proline 0 C--N 1.328 -0.359 0 CA-C-N 116.326 -0.397 . . . . 64.51 110.537 178.611 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 90' ' ' PRO . . . . . 0.539 ' O ' ' HA ' ' A' ' 108' ' ' ARG . 5.5 Cg_exo -71.54 146.29 49.2 Favored 'Trans proline' 0 N--CA 1.454 -0.795 0 C-N-CA 121.998 1.799 . . . . 64.23 111.786 -178.305 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.447 HD11 ' HB3' ' A' ' 106' ' ' GLN . 2.8 tm? -98.21 115.91 29.33 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-O 121.364 0.602 . . . . 64.41 109.569 -179.582 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 21.0 m-85 -100.82 136.19 41.08 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 115.259 -0.882 . . . . 74.12 109.121 179.216 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 93' ' ' THR . . . . . 0.442 HG22 HD11 ' A' ' 104' ' ' LEU . 15.5 m -119.17 103.05 9.17 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 121.03 0.443 . . . . 43.21 110.591 -176.755 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 94' ' ' ILE . . . . . 0.542 HG21 ' HA ' ' A' ' 114' ' ' ARG . 7.1 mm -100.38 128.64 52.19 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 CA-C-N 115.667 -0.697 . . . . 63.25 109.766 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 95' ' ' SER . . . . . 0.621 ' HB2' ' HD3' ' A' ' 102' ' ' LYS . 0.6 OUTLIER -110.14 137.64 47.61 Favored 'General case' 0 C--N 1.314 -0.962 0 CA-C-N 116.016 -0.538 . . . . 45.22 110.431 175.651 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.542 HG12 ' HB1' ' A' ' 117' ' ' ALA . 7.1 p -133.34 128.1 54.89 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.818 0 CA-C-N 115.822 -0.626 . . . . 72.24 110.14 176.149 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 26.7 tt0 -96.7 115.72 27.91 Favored 'General case' 0 C--N 1.316 -0.867 0 N-CA-C 109.353 -0.61 . . . . 73.1 109.353 176.489 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 18.6 t -124.34 120.92 60.48 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.792 0 CA-C-N 115.868 -0.605 . . . . 74.13 109.763 -176.952 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 22.1 t70 67.27 1.73 2.55 Favored 'General case' 0 N--CA 1.47 0.556 0 O-C-N 123.739 0.649 . . . . 64.14 111.142 179.708 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 120.33 -19.05 9.36 Favored Glycine 0 N--CA 1.446 -0.669 0 C-N-CA 120.944 -0.646 . . . . 74.22 112.298 -178.695 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 10.2 mm100 -91.99 133.57 35.6 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.991 0.424 . . . . 63.52 111.249 -179.873 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 102' ' ' LYS . . . . . 0.621 ' HD3' ' HB2' ' A' ' 95' ' ' SER . 0.5 OUTLIER -98.03 100.29 11.61 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.826 -0.624 . . . . 73.12 109.809 -176.195 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 70.6 m-85 -89.84 147.74 23.6 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.553 -0.749 . . . . 74.54 109.974 -178.813 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.442 HD11 HG22 ' A' ' 93' ' ' THR . 13.3 tp -118.47 137.13 53.39 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 120.877 0.37 . . . . 65.33 110.853 -177.172 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 105' ' ' GLY . . . . . 0.423 ' HA3' ' N ' ' A' ' 117' ' ' ALA . . . -130.98 131.15 6.32 Favored Glycine 0 N--CA 1.446 -0.681 0 N-CA-C 111.456 -0.658 . . . . 72.23 111.456 178.909 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 106' ' ' GLN . . . . . 0.447 ' HB3' HD11 ' A' ' 91' ' ' LEU . 26.5 mt-30 -122.67 125.25 45.21 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 120.867 0.365 . . . . 73.04 110.691 -175.378 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -145.28 179.69 22.19 Favored Glycine 0 N--CA 1.448 -0.505 0 C-N-CA 120.811 -0.709 . . . . 61.12 112.188 -178.13 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 108' ' ' ARG . . . . . 0.539 ' HA ' ' O ' ' A' ' 90' ' ' PRO . 29.0 mmt180 -88.75 6.92 36.42 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.176 0.513 . . . . 72.52 111.309 -177.309 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 49.3 m -160.57 165.94 29.88 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 108.665 -0.865 . . . . 52.11 108.665 178.283 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 55.3 mttp -59.07 -39.62 82.7 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.188 0.518 . . . . 52.25 110.343 -179.27 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 82.2 tttt -62.55 -53.81 49.15 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.248 -0.887 . . . . 61.21 111.056 -179.491 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 112' ' ' VAL . . . . . 0.473 ' O ' ' HG2' ' A' ' 116' ' ' GLU . 22.5 t -53.79 -50.95 48.68 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 115.923 -0.58 . . . . 63.04 110.248 179.517 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -60.9 -41.54 96.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.841 -0.618 . . . . 51.31 111.744 -177.035 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 114' ' ' ARG . . . . . 0.542 ' HA ' HG21 ' A' ' 94' ' ' ILE . 22.5 ttm180 -63.03 -41.98 99.66 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.897 0.38 . . . . 71.23 110.57 179.635 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 115' ' ' ILE . . . . . 0.535 HG12 ' HB2' ' A' ' 64' ' ' ASN . 73.4 mt -65.74 -47.92 84.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 116.026 -0.533 . . . . 60.44 111.044 176.576 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 116' ' ' GLU . . . . . 0.473 ' HG2' ' O ' ' A' ' 112' ' ' VAL . 42.8 mm-40 -57.84 -38.57 75.9 Favored 'General case' 0 C--O 1.236 0.349 0 CA-C-O 120.927 0.394 . . . . 63.32 111.642 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 117' ' ' ALA . . . . . 0.542 ' HB1' HG12 ' A' ' 96' ' ' VAL . . . -62.49 -44.89 95.27 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.257 -0.429 . . . . 74.31 110.382 177.315 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 118' ' ' ALA . . . . . 0.528 ' O ' ' HG ' ' A' ' 122' ' ' LEU . . . -67.13 -35.72 80.34 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.709 -0.678 . . . . 73.31 111.274 -179.844 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -61.65 -38.57 88.22 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.137 0.494 . . . . 72.32 110.584 179.89 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 120' ' ' THR . . . . . 0.484 ' O ' ' HG2' ' A' ' 123' ' ' ARG . 21.4 m -67.44 -41.88 84.04 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.669 -0.696 . . . . 70.32 110.287 178.567 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -59.39 -47.11 86.69 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.767 -0.651 . . . . 70.11 110.738 178.333 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 122' ' ' LEU . . . . . 0.528 ' HG ' ' O ' ' A' ' 118' ' ' ALA . 37.4 mt -53.25 -49.65 66.42 Favored 'General case' 0 N--CA 1.462 0.152 0 CA-C-N 115.97 -0.559 . . . . 65.35 111.542 -177.556 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 123' ' ' ARG . . . . . 0.484 ' HG2' ' O ' ' A' ' 120' ' ' THR . 23.9 ptt180 -66.39 -24.92 66.56 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.466 -0.334 . . . . 71.13 111.011 -175.376 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 4.7 t -73.38 -24.06 60.26 Favored 'General case' 0 N--CA 1.453 -0.311 0 CA-C-O 121.122 0.487 . . . . 53.22 110.156 179.682 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 63.7 m-85 -87.54 -54.72 4.13 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.048 -0.524 . . . . 74.34 110.333 175.721 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 126' ' ' ILE . . . . . 0.473 ' O ' ' HA ' ' A' ' 123' ' ' ARG . 0.2 OUTLIER . . . . . 0 C--N 1.33 -0.265 0 CA-C-N 116.135 -0.484 . . . . 74.43 110.619 -178.592 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 64' ' ' ASN . . . . . 0.662 HD21 ' N ' ' A' ' 64' ' ' ASN . 0.0 OUTLIER . . . . . 0 CA--C 1.516 -0.352 0 CA-C-O 121.419 0.628 . . . . 64.42 110.648 . . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 34.1 p -56.77 -27.68 59.99 Favored 'General case' 0 C--N 1.315 -0.913 0 CA-C-N 114.848 -1.069 . . . . 73.05 111.392 -179.816 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 38.4 t -57.21 -44.92 84.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 115.584 -0.735 . . . . 71.33 110.405 176.306 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -62.32 -42.92 99.78 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.756 -0.656 . . . . 42.44 110.09 178.463 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 69.0 mmm -58.44 -44.3 89.1 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.22 -0.9 . . . . 54.44 110.727 178.782 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.58 ' HB3' HD13 ' A' ' 76' ' ' LEU . 0.9 OUTLIER -62.04 -37.27 84.29 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.062 -0.517 . . . . 55.04 111.491 179.498 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 20.3 m-80 -69.04 -20.27 64.12 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-O 121.178 0.514 . . . . 74.34 110.732 -178.045 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 -86.91 -26.67 23.8 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.598 -0.728 . . . . 73.24 110.955 178.612 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 80.3 mt -86.35 -61.09 1.82 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.054 -0.521 . . . . 72.04 112.027 -175.369 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 73' ' ' ARG . . . . . 0.412 HH11 ' HD3' ' A' ' 73' ' ' ARG . 6.3 mmt-85 -125.29 173.57 8.73 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.939 0.399 . . . . 61.4 111.311 -175.763 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 10.3 p-80 -121.64 160.3 24.71 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.611 -0.722 . . . . 73.01 109.284 174.582 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 78.42 38.11 25.89 Favored Glycine 0 N--CA 1.446 -0.672 0 C-N-CA 120.317 -0.945 . . . . 62.22 111.508 -177.666 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.749 ' H ' HD23 ' A' ' 76' ' ' LEU . 0.7 OUTLIER -95.39 88.67 5.18 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.344 0.592 . . . . 44.31 110.008 178.205 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 4.3 mp -89.28 108.46 19.16 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-N 115.958 -0.564 . . . . 74.22 110.524 -177.322 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 78' ' ' TYR . . . . . 0.43 ' CD1' ' HB ' ' A' ' 96' ' ' VAL . 94.1 m-85 -82.63 119.66 24.57 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 109.533 -0.543 . . . . 74.35 109.533 174.843 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 79' ' ' LYS . . . . . 0.634 ' HG2' ' O ' ' A' ' 95' ' ' SER . 14.3 ptpt -127.47 133.9 49.86 Favored 'General case' 0 C--N 1.318 -0.8 0 N-CA-C 109.807 -0.442 . . . . 73.33 109.807 -179.256 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.526 HD22 ' HE2' ' A' ' 110' ' ' LYS . 34.0 tp -81.49 116.07 21.1 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 109.189 -0.671 . . . . 62.44 109.189 177.336 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -93.35 -29.84 15.42 Favored 'General case' 0 C--N 1.322 -0.603 0 C-N-CA 120.292 -0.563 . . . . 71.11 111.631 -177.581 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 3.0 p -156.93 144.92 19.32 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.055 0.455 . . . . 64.13 111.749 -179.275 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 20.9 tm0? -125.48 124.46 41.42 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 109.025 -0.732 . . . . 64.21 109.025 174.969 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 7.2 p -146.41 -164.6 2.01 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.006 -0.543 . . . . 74.25 110.334 -176.653 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 95.11 175.37 37.77 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 121.164 -0.541 . . . . 72.23 113.095 171.711 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -68.25 -174.83 0.71 Allowed 'Trans proline' 0 C--N 1.345 0.36 0 C-N-CA 123.125 2.55 . . . . 70.32 111.738 176.525 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 9.9 p -97.75 -25.35 4.13 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.754 0 C-N-CA 120.514 -0.474 . . . . 74.35 110.401 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 43.1 p-80 -76.86 -24.91 52.61 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.998 0.428 . . . . 71.52 110.022 179.353 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -160.62 74.25 2.79 Favored Pre-proline 0 C--N 1.327 -0.37 0 CA-C-N 115.804 -0.635 . . . . 65.24 110.108 179.076 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 90' ' ' PRO . . . . . 0.63 ' O ' ' HA ' ' A' ' 108' ' ' ARG . 11.5 Cg_exo -65.42 166.86 18.21 Favored 'Trans proline' 0 N--CA 1.454 -0.802 0 C-N-CA 121.886 1.724 . . . . 73.51 112.115 -176.254 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -113.35 112.19 23.26 Favored 'General case' 0 C--N 1.314 -0.96 0 CA-C-N 115.475 -0.784 . . . . 71.13 109.26 179.713 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.493 ' O ' ' HA ' ' A' ' 106' ' ' GLN . 34.0 m-85 -104.14 131.74 51.1 Favored 'General case' 0 C--N 1.314 -0.958 0 CA-C-N 115.1 -0.954 . . . . 62.42 108.958 179.489 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 93' ' ' THR . . . . . 0.456 HG22 HD11 ' A' ' 104' ' ' LEU . 19.7 m -113.27 104.85 12.74 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-O 121.313 0.578 . . . . 72.42 110.923 -178.183 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 5.7 mm -99.6 130.11 49.13 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.674 0 CA-C-N 115.336 -0.847 . . . . 62.03 110.055 179.124 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 95' ' ' SER . . . . . 0.634 ' O ' ' HG2' ' A' ' 79' ' ' LYS . 0.1 OUTLIER -107.96 120.77 43.23 Favored 'General case' 0 C--N 1.312 -1.038 0 CA-C-N 115.537 -0.756 . . . . 73.32 109.616 175.507 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.46 HG22 HG23 ' A' ' 98' ' ' VAL . 10.1 p -110.14 124.81 67.19 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.822 0 C-N-CA 120.347 -0.541 . . . . 73.33 110.316 178.324 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 15.5 tt0 -95.47 113.57 25.24 Favored 'General case' 0 C--N 1.315 -0.9 0 N-CA-C 108.991 -0.744 . . . . 55.42 108.991 179.895 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 98' ' ' VAL . . . . . 0.46 HG23 HG22 ' A' ' 96' ' ' VAL . 32.7 t -134.29 123.51 43.43 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.775 0 CA-C-N 116.288 -0.414 . . . . 72.12 110.492 -175.885 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 20.1 t70 63.71 16.71 9.94 Favored 'General case' 0 CA--C 1.532 0.284 0 CA-C-O 121.46 0.648 . . . . 73.04 110.469 176.659 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 96.83 -11.68 66.13 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.873 -0.679 . . . . 71.44 112.208 -179.162 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 6.7 mm100 -96.99 132.98 42.26 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.852 0.358 . . . . 71.41 110.34 177.266 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 102' ' ' LYS . . . . . 0.632 ' HD3' ' CB ' ' A' ' 95' ' ' SER . 2.0 tmmm? -94.97 113.4 25.1 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 121.055 0.455 . . . . 73.12 109.824 178.606 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 103' ' ' TYR . . . . . 0.427 ' HB3' ' HB ' ' A' ' 120' ' ' THR . 63.5 m-85 -100.63 141.84 32.93 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.79 -0.641 . . . . 60.44 109.656 177.519 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.456 HD11 HG22 ' A' ' 93' ' ' THR . 13.7 tp -114.02 144.67 42.72 Favored 'General case' 0 C--N 1.32 -0.683 0 C-N-CA 120.731 -0.387 . . . . 53.44 110.905 -174.682 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 105' ' ' GLY . . . . . 0.57 ' HA3' ' N ' ' A' ' 117' ' ' ALA . . . -142.52 136.21 7.05 Favored Glycine 0 N--CA 1.446 -0.672 0 N-CA-C 111.559 -0.616 . . . . 74.03 111.559 177.882 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 106' ' ' GLN . . . . . 0.493 ' HA ' ' O ' ' A' ' 92' ' ' PHE . 28.1 mt-30 -124.4 112.17 16.61 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.899 0.38 . . . . 73.14 110.408 -175.773 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -125.58 -172.64 13.46 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.965 -0.636 . . . . 72.5 112.371 -175.785 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 108' ' ' ARG . . . . . 0.63 ' HA ' ' O ' ' A' ' 90' ' ' PRO . 45.3 mmt-85 -90.33 -3.7 57.58 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.213 0.53 . . . . 72.42 110.939 -178.239 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 109' ' ' SER . . . . . 0.427 ' HB2' HG23 ' A' ' 112' ' ' VAL . 48.8 m -155.64 165.74 35.65 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 108.265 -1.013 . . . . 54.43 108.265 -178.882 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 110' ' ' LYS . . . . . 0.526 ' HE2' HD22 ' A' ' 80' ' ' LEU . 99.0 mttt -57.53 -43.28 84.23 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.293 0.568 . . . . 73.2 110.121 178.327 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 74.1 tttt -61.83 -48.84 78.75 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.2 -0.909 . . . . 73.24 110.752 179.469 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 112' ' ' VAL . . . . . 0.643 ' O ' ' HG2' ' A' ' 116' ' ' GLU . 45.1 t -61.86 -47.26 94.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 115.696 -0.684 . . . . 73.43 110.231 179.925 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -59.97 -38.33 82.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.09 -0.505 . . . . 75.52 111.105 179.685 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 16.8 ttm180 -60.3 -42.65 95.98 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.885 -0.598 . . . . 73.1 110.219 176.836 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 68.8 mt -61.49 -51.83 68.27 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.281 0 CA-C-N 115.762 -0.654 . . . . 72.54 110.722 175.041 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 116' ' ' GLU . . . . . 0.643 ' HG2' ' O ' ' A' ' 112' ' ' VAL . 5.2 mm-40 -57.96 -39.16 77.45 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 120.891 0.377 . . . . 72.04 111.268 -178.911 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 117' ' ' ALA . . . . . 0.57 ' N ' ' HA3' ' A' ' 105' ' ' GLY . . . -63.21 -44.99 93.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.133 0.492 . . . . 60.21 110.813 178.332 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 118' ' ' ALA . . . . . 0.563 ' O ' ' HG ' ' A' ' 122' ' ' LEU . . . -66.35 -30.22 70.57 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.538 -0.756 . . . . 75.24 110.934 179.522 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -60.43 -42.82 96.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.121 -0.491 . . . . 53.51 110.731 178.372 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 120' ' ' THR . . . . . 0.503 ' O ' ' HG2' ' A' ' 123' ' ' ARG . 31.6 m -63.04 -42.01 99.65 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.21 0.529 . . . . 70.12 110.657 177.796 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -61.45 -44.86 96.37 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.995 -0.548 . . . . 70.2 110.994 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 122' ' ' LEU . . . . . 0.563 ' HG ' ' O ' ' A' ' 118' ' ' ALA . 65.3 mt -57.88 -45.22 86.7 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.145 -0.479 . . . . 63.25 111.39 -177.779 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 123' ' ' ARG . . . . . 0.503 ' HG2' ' O ' ' A' ' 120' ' ' THR . 13.0 ptt180 -67.95 -20.27 65.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.76 0.314 . . . . 73.12 110.777 -175.689 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 27.1 m -78.71 -27.64 44.95 Favored 'General case' 0 N--CA 1.441 -0.879 0 CA-C-O 120.723 0.297 . . . . 61.3 111.545 176.308 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 125' ' ' PHE . . . . . 0.408 ' HE2' HD21 ' A' ' 69' ' ' LEU . 27.1 m-85 -89.6 -57.95 2.69 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.961 0.41 . . . . 64.54 111.299 -177.47 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 126' ' ' ILE . . . . . 0.484 HD13 ' H ' ' A' ' 126' ' ' ILE . 0.2 OUTLIER . . . . . 0 C--N 1.323 -0.578 0 CA-C-O 120.788 0.327 . . . . 71.43 110.193 -178.339 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 64' ' ' ASN . . . . . 0.67 HD21 ' N ' ' A' ' 64' ' ' ASN . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.37 0 CA-C-O 121.409 0.623 . . . . 61.54 110.869 . . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 33.8 p -65.8 -24.07 66.84 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 115.078 -0.964 . . . . 72.44 110.908 -179.393 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.436 HG13 ' CZ ' ' A' ' 78' ' ' TYR . 38.8 t -56.85 -46.17 83.46 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 CA-C-N 115.442 -0.799 . . . . 55.04 110.353 176.512 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.553 ' O ' ' HG2' ' A' ' 71' ' ' GLU . . . -65.12 -39.68 93.42 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.417 -0.811 . . . . 72.43 110.217 178.488 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 68' ' ' MET . . . . . 0.414 ' HB2' HD11 ' A' ' 122' ' ' LEU . 82.6 mmm -58.93 -40.31 84.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.438 -0.801 . . . . 74.13 111.055 179.067 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.525 ' HB3' HD13 ' A' ' 76' ' ' LEU . 3.6 mt -65.58 -33.16 75.27 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.178 -0.464 . . . . 73.55 111.359 -179.849 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 26.1 m-80 -71.04 -19.97 62.43 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.181 0.515 . . . . 72.44 110.241 179.871 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.553 ' HG2' ' O ' ' A' ' 67' ' ' ALA . 19.2 mm-40 -84.23 -25.44 29.44 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.552 -0.749 . . . . 63.55 110.59 177.229 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 71.4 mt -96.26 -47.02 6.19 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 112.291 0.478 . . . . 74.24 112.291 -174.94 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 75.1 mmt-85 -130.89 161.13 32.53 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.259 0.552 . . . . 65.14 111.318 -179.615 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 5.5 p-80 -122.5 153.79 38.71 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 115.259 -0.882 . . . . 62.31 109.194 173.207 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 92.74 17.72 43.64 Favored Glycine 0 N--CA 1.445 -0.721 0 C-N-CA 120.341 -0.933 . . . . 75.25 111.651 -177.866 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.894 ' H ' HD23 ' A' ' 76' ' ' LEU . 1.3 pt? -85.01 133.26 34.25 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 110.032 -0.359 . . . . 54.14 110.032 179.03 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 2.6 mp -126.28 109.72 21.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 116.506 -0.316 . . . . 74.42 110.532 -178.689 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 78' ' ' TYR . . . . . 0.527 ' CE1' HD12 ' A' ' 76' ' ' LEU . 96.7 m-85 -86.81 119.41 27.01 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 109.864 -0.421 . . . . 64.03 109.864 176.0 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 16.6 ptpt -132.43 136.02 46.47 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-O 121.027 0.441 . . . . 71.15 110.749 -179.021 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.4 ' HA ' HD13 ' A' ' 94' ' ' ILE . 47.1 tp -79.23 100.33 7.45 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 109.308 -0.627 . . . . 64.43 109.308 175.845 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -92.48 -21.06 20.36 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 120.881 0.372 . . . . 72.44 111.739 -174.167 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 82' ' ' SER . . . . . 0.519 ' HB2' ' HB ' ' A' ' 93' ' ' THR . 25.1 m -148.36 141.12 24.62 Favored 'General case' 0 C--N 1.319 -0.742 0 N-CA-C 109.95 -0.389 . . . . 71.04 109.95 178.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 21.3 tm0? -148.88 103.44 3.36 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 108.842 -0.799 . . . . 50.14 108.842 177.295 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 20.0 p -148.2 164.2 34.66 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.829 -0.623 . . . . 73.3 110.473 -175.516 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 129.78 -165.92 22.1 Favored Glycine 0 N--CA 1.445 -0.753 0 C-N-CA 120.277 -0.963 . . . . 64.43 112.517 174.493 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -75.24 172.24 16.73 Favored 'Trans proline' 0 N--CA 1.462 -0.354 0 C-N-CA 123.046 2.497 . . . . 73.45 111.668 177.755 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 10.5 p -90.21 -18.97 7.44 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 C-N-CA 120.842 -0.343 . . . . 60.01 110.566 -179.791 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 35.4 p-80 -79.2 -23.64 43.7 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-O 120.871 0.367 . . . . 72.22 110.413 178.039 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 89' ' ' ALA . . . . . 0.529 ' HB1' ' HD2' ' A' ' 108' ' ' ARG . . . -159.91 75.9 2.95 Favored Pre-proline 0 C--N 1.327 -0.391 0 CA-C-N 116.105 -0.498 . . . . 71.21 110.475 179.561 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 90' ' ' PRO . . . . . 0.537 ' O ' ' HA ' ' A' ' 108' ' ' ARG . 3.7 Cg_exo -69.31 146.27 62.4 Favored 'Trans proline' 0 N--CA 1.455 -0.753 0 C-N-CA 122.127 1.884 . . . . 72.32 111.35 -179.249 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.405 HD11 ' HB3' ' A' ' 106' ' ' GLN . 2.7 tm? -98.92 114.9 27.73 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-O 121.476 0.655 . . . . 73.44 109.668 -179.573 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.467 ' O ' ' HA ' ' A' ' 106' ' ' GLN . 10.3 m-85 -101.37 134.67 44.09 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 115.085 -0.961 . . . . 64.14 108.673 178.345 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 93' ' ' THR . . . . . 0.519 ' HB ' ' HB2' ' A' ' 82' ' ' SER . 19.6 m -119.37 103.25 9.3 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-O 120.992 0.425 . . . . 61.13 110.296 -177.514 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 94' ' ' ILE . . . . . 0.4 HD13 ' HA ' ' A' ' 80' ' ' LEU . 8.5 mm -100.58 129.15 51.85 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.712 0 CA-C-N 115.619 -0.719 . . . . 71.33 109.547 179.242 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 95' ' ' SER . . . . . 0.567 ' HB2' ' HD3' ' A' ' 102' ' ' LYS . 3.3 p -113.53 134.86 54.45 Favored 'General case' 0 C--N 1.314 -0.936 0 CA-C-O 120.968 0.413 . . . . 74.24 110.239 175.38 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.498 HG12 ' HB1' ' A' ' 117' ' ' ALA . 7.7 p -132.17 128.51 59.05 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.876 0 CA-C-N 115.814 -0.63 . . . . 64.0 109.89 176.152 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 20.6 tt0 -97.12 112.3 24.14 Favored 'General case' 0 C--N 1.314 -0.942 0 N-CA-C 109.523 -0.547 . . . . 51.21 109.523 178.634 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 98' ' ' VAL . . . . . 0.4 ' HB ' ' HE2' ' A' ' 103' ' ' TYR . 59.3 t -123.07 123.6 68.29 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.891 0 CA-C-N 115.513 -0.767 . . . . 70.54 110.408 -175.591 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 20.0 t70 68.84 2.66 3.61 Favored 'General case' 0 CA--C 1.533 0.291 0 CA-C-N 115.782 -0.645 . . . . 70.22 111.222 175.132 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 116.35 -17.68 14.16 Favored Glycine 0 N--CA 1.449 -0.465 0 C-N-CA 121.095 -0.574 . . . . 62.42 111.921 -177.502 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 11.1 mm100 -97.56 138.66 34.64 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 120.819 0.342 . . . . 73.14 110.8 179.5 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 102' ' ' LYS . . . . . 0.567 ' HD3' ' HB2' ' A' ' 95' ' ' SER . 3.2 tmmm? -100.42 109.08 21.22 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 121.106 0.479 . . . . 74.1 109.774 -177.338 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 103' ' ' TYR . . . . . 0.424 ' CE1' ' HA ' ' A' ' 121' ' ' ALA . 67.5 m-85 -97.82 129.56 44.79 Favored 'General case' 0 C--N 1.315 -0.931 0 CA-C-N 115.561 -0.745 . . . . 74.23 109.844 -179.038 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.485 ' CD1' ' HB3' ' A' ' 95' ' ' SER . 14.2 tp -106.8 136.29 46.87 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.096 -0.502 . . . . 72.33 110.166 -176.598 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -127.02 129.86 6.69 Favored Glycine 0 N--CA 1.447 -0.582 0 C-N-CA 120.931 -0.652 . . . . 74.03 111.719 -179.323 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 106' ' ' GLN . . . . . 0.467 ' HA ' ' O ' ' A' ' 92' ' ' PHE . 24.7 mt-30 -124.09 114.74 20.1 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-O 120.814 0.34 . . . . 65.32 110.73 -176.094 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -137.04 -171.8 12.31 Favored Glycine 0 N--CA 1.449 -0.469 0 CA-C-N 115.969 -0.559 . . . . 73.31 112.195 -177.399 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 108' ' ' ARG . . . . . 0.537 ' HA ' ' O ' ' A' ' 90' ' ' PRO . 36.0 mmt180 -91.69 0.71 57.47 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.993 0.425 . . . . 75.3 111.315 -176.843 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 39.7 m -158.57 165.13 35.25 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 108.999 -0.741 . . . . 74.31 108.999 179.37 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 88.7 mttt -53.37 -43.22 67.63 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-O 121.245 0.545 . . . . 64.32 110.146 177.976 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 79.6 tttt -61.75 -53.13 60.19 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 114.909 -1.042 . . . . 75.12 111.176 -178.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 24.0 t -58.14 -49.4 81.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.045 -0.525 . . . . 75.12 110.704 -179.599 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -62.89 -37.71 88.02 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.97 -0.559 . . . . 72.14 111.5 -177.794 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 10.0 ttm180 -64.09 -50.53 67.96 Favored 'General case' 0 C--N 1.323 -0.543 0 CA-C-N 115.703 -0.68 . . . . 75.42 110.295 179.371 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 77.2 mt -56.24 -45.15 81.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 115.257 -0.883 . . . . 74.33 111.321 174.099 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -57.91 -45.21 86.85 Favored 'General case' 0 C--O 1.236 0.348 0 CA-C-O 120.783 0.325 . . . . 63.42 111.475 178.163 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 117' ' ' ALA . . . . . 0.498 ' HB1' HG12 ' A' ' 96' ' ' VAL . . . -61.32 -44.72 96.73 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.099 0.476 . . . . 73.54 110.631 178.776 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 118' ' ' ALA . . . . . 0.456 ' O ' ' HG ' ' A' ' 122' ' ' LEU . . . -67.82 -36.89 81.18 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.844 -0.616 . . . . 65.43 111.155 -179.616 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -62.67 -37.48 86.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.051 0.453 . . . . 72.25 110.495 178.687 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 29.6 m -64.0 -40.03 95.44 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.603 -0.726 . . . . 74.12 110.313 177.735 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 121' ' ' ALA . . . . . 0.424 ' HA ' ' CE1' ' A' ' 103' ' ' TYR . . . -64.92 -48.31 74.6 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.887 -0.597 . . . . 63.35 110.822 178.311 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 122' ' ' LEU . . . . . 0.456 ' HG ' ' O ' ' A' ' 118' ' ' ALA . 61.7 mt -57.78 -46.33 84.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.976 -0.556 . . . . 74.44 111.093 -178.922 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 123' ' ' ARG . . . . . 0.442 HH11 ' HD3' ' A' ' 123' ' ' ARG . 13.6 ptt180 -73.14 -10.91 60.28 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.426 -0.352 . . . . 75.24 111.162 -177.308 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 12.7 t -84.22 -26.3 28.81 Favored 'General case' 0 N--CA 1.449 -0.505 0 N-CA-C 109.647 -0.501 . . . . 72.34 109.647 174.619 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 125' ' ' PHE . . . . . 0.412 ' HB2' HD13 ' A' ' 126' ' ' ILE . 28.9 m-85 -86.26 -60.46 2.0 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.969 -0.559 . . . . 65.12 110.169 178.47 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 126' ' ' ILE . . . . . 0.432 HD13 ' H ' ' A' ' 126' ' ' ILE . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.465 0 CA-C-N 115.766 -0.652 . . . . 61.33 110.934 -173.731 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 64' ' ' ASN . . . . . 0.636 HD21 ' N ' ' A' ' 64' ' ' ASN . 0.0 OUTLIER . . . . . 0 CA--C 1.516 -0.329 0 CA-C-O 121.647 0.737 . . . . 63.0 110.743 . . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 40.8 p -59.81 -23.53 63.41 Favored 'General case' 0 C--N 1.316 -0.876 0 CA-C-N 114.674 -1.148 . . . . 64.01 111.328 179.215 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.435 ' HB ' ' OD1' ' A' ' 64' ' ' ASN . 65.7 t -57.6 -49.19 81.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 115.398 -0.819 . . . . 71.25 110.872 176.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.649 ' HA ' ' OD1' ' A' ' 70' ' ' ASN . . . -66.64 -32.41 73.72 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.079 0.466 . . . . 70.34 110.379 -179.786 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 78.7 mmm -60.71 -41.74 95.85 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.731 -0.668 . . . . 74.3 110.258 175.79 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.465 ' HB3' HD13 ' A' ' 76' ' ' LEU . 7.3 mt -64.14 -33.08 74.96 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.061 -0.518 . . . . 70.32 110.998 176.851 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 70' ' ' ASN . . . . . 0.649 ' OD1' ' HA ' ' A' ' 67' ' ' ALA . 12.1 m120 -62.45 -33.18 74.32 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.298 0.57 . . . . 74.22 109.949 -177.415 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -83.46 -24.51 31.78 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.173 -0.921 . . . . 74.51 110.759 -176.958 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 69.5 mt -85.85 -70.41 0.6 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.35 -0.386 . . . . 63.21 111.792 -177.107 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 7.0 mmm180 -133.21 141.27 47.98 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.64 -0.255 . . . . 73.5 110.619 -171.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 2.5 p-80 -94.57 176.88 6.12 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.483 -0.326 . . . . 72.45 110.141 175.657 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 85.76 9.12 78.68 Favored Glycine 0 N--CA 1.448 -0.511 0 C-N-CA 120.777 -0.725 . . . . 63.12 111.534 -177.117 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.8 ' H ' HD23 ' A' ' 76' ' ' LEU . 1.9 pt? -77.1 120.61 22.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.386 0.613 . . . . 72.13 111.152 -178.066 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 77' ' ' ILE . . . . . 0.701 ' O ' ' HA ' ' A' ' 96' ' ' VAL . 2.9 mt -114.37 111.28 35.27 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-N 115.911 -0.586 . . . . 63.34 110.784 179.52 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 78' ' ' TYR . . . . . 0.469 ' CE2' HD12 ' A' ' 76' ' ' LEU . 98.8 m-85 -89.88 110.6 21.54 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.836 0.351 . . . . 74.11 110.086 174.525 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 38.8 pttt -132.91 130.14 39.26 Favored 'General case' 0 C--N 1.316 -0.875 0 CA-C-N 116.251 -0.431 . . . . 64.21 110.806 -179.21 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.536 HD21 ' HB2' ' A' ' 83' ' ' GLN . 28.2 tp -72.22 107.13 4.7 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 109.218 -0.66 . . . . 75.25 109.218 175.721 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -91.09 -22.26 20.81 Favored 'General case' 0 C--N 1.319 -0.721 0 C-N-CA 120.479 -0.488 . . . . 74.42 111.253 -176.82 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 49.2 m -151.95 141.73 21.92 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.724 -0.216 . . . . 74.35 110.64 179.35 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 83' ' ' GLN . . . . . 0.536 ' HB2' HD21 ' A' ' 80' ' ' LEU . 0.5 OUTLIER -135.64 104.82 5.93 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 109.405 -0.591 . . . . 70.45 109.405 177.499 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 3.6 p -135.52 -163.88 1.46 Allowed 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.695 -0.684 . . . . 71.14 110.527 -176.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 85' ' ' GLY . . . . . 0.409 ' HA3' ' H ' ' A' ' 91' ' ' LEU . . . 104.19 -174.43 22.2 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.898 -0.668 . . . . 25.2 112.99 171.08 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 59.1 Cg_endo -72.25 -178.58 3.35 Favored 'Trans proline' 0 N--CA 1.462 -0.327 0 C-N-CA 122.752 2.302 . . . . 74.02 111.824 177.11 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 13.4 p -95.98 -23.91 4.77 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 C-N-CA 120.535 -0.466 . . . . 62.24 110.553 179.212 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 36.5 p-80 -75.45 -25.54 57.54 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-O 120.801 0.334 . . . . 75.41 110.364 178.036 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 89' ' ' ALA . . . . . 0.429 ' HB1' ' HD2' ' A' ' 108' ' ' ARG . . . -162.08 75.98 2.2 Favored Pre-proline 0 CA--C 1.518 -0.286 0 CA-C-N 116.151 -0.477 . . . . 65.4 110.168 -178.956 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 90' ' ' PRO . . . . . 0.577 ' O ' ' HA ' ' A' ' 108' ' ' ARG . 6.6 Cg_exo -64.13 151.23 86.21 Favored 'Trans proline' 0 N--CA 1.453 -0.907 0 C-N-CA 121.86 1.706 . . . . 70.22 111.971 -176.769 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.41 HD11 ' HB3' ' A' ' 106' ' ' GLN . 2.6 tm? -95.17 115.2 27.12 Favored 'General case' 0 N--CA 1.441 -0.917 0 N-CA-C 109.071 -0.715 . . . . 74.25 109.071 -179.537 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.434 ' O ' ' HA ' ' A' ' 106' ' ' GLN . 17.4 m-85 -101.95 132.15 47.93 Favored 'General case' 0 C--N 1.311 -1.072 0 CA-C-N 115.38 -0.827 . . . . 75.21 108.991 179.211 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 93' ' ' THR . . . . . 0.443 HG22 HD11 ' A' ' 104' ' ' LEU . 23.7 m -113.63 96.99 6.15 Favored 'General case' 0 N--CA 1.442 -0.867 0 CA-C-O 121.035 0.445 . . . . 62.54 109.988 -177.563 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 94' ' ' ILE . . . . . 0.574 HG21 ' HA ' ' A' ' 114' ' ' ARG . 7.1 mm -95.07 127.77 46.77 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.862 0 CA-C-N 115.56 -0.746 . . . . 73.34 109.348 179.39 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 95' ' ' SER . . . . . 0.529 ' HB2' ' HD3' ' A' ' 102' ' ' LYS . 19.0 p -107.42 121.91 45.54 Favored 'General case' 0 C--N 1.306 -1.306 0 CA-C-N 115.453 -0.794 . . . . 72.44 109.344 177.747 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.701 ' HA ' ' O ' ' A' ' 77' ' ' ILE . 9.6 p -113.6 115.79 50.73 Favored 'Isoleucine or valine' 0 N--CA 1.439 -0.983 0 CA-C-O 121.821 0.82 . . . . 74.15 109.876 175.559 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 97' ' ' GLU . . . . . 0.538 ' HA ' ' HA ' ' A' ' 102' ' ' LYS . 5.4 tt0 -92.37 110.11 21.51 Favored 'General case' 0 C--N 1.307 -1.27 0 CA-C-N 115.336 -0.847 . . . . 74.41 109.391 -179.82 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 24.6 t -119.22 123.62 71.64 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.684 0 CA-C-N 115.493 -0.776 . . . . 64.32 110.491 -174.444 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 1.2 t70 59.72 17.29 6.2 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.468 -0.787 . . . . 71.11 111.402 178.896 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 104.92 -12.17 49.41 Favored Glycine 0 N--CA 1.449 -0.452 0 C-N-CA 121.007 -0.616 . . . . 43.52 112.685 -179.203 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 101' ' ' GLN . . . . . 0.453 ' HB3' ' CE2' ' A' ' 103' ' ' TYR . 1.4 tp-100 -100.44 124.91 46.58 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 109.766 -0.457 . . . . 63.23 109.766 -179.781 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 102' ' ' LYS . . . . . 0.538 ' HA ' ' HA ' ' A' ' 97' ' ' GLU . 5.2 tmmm? -88.44 109.26 19.88 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 121.119 0.485 . . . . 73.55 110.656 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 103' ' ' TYR . . . . . 0.453 ' CE2' ' HB3' ' A' ' 101' ' ' GLN . 86.2 m-85 -95.55 135.25 37.45 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.482 -0.781 . . . . 73.04 109.563 178.055 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.443 HD11 HG22 ' A' ' 93' ' ' THR . 12.1 tp -105.32 137.03 43.77 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 120.995 0.426 . . . . 63.23 111.031 -175.441 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 105' ' ' GLY . . . . . 0.524 ' HA3' ' N ' ' A' ' 117' ' ' ALA . . . -131.6 129.26 5.61 Favored Glycine 0 N--CA 1.445 -0.717 0 N-CA-C 111.415 -0.674 . . . . 53.41 111.415 178.055 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 106' ' ' GLN . . . . . 0.434 ' HA ' ' O ' ' A' ' 92' ' ' PHE . 28.3 mt-30 -120.46 116.13 24.83 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-O 120.911 0.386 . . . . 54.34 110.797 -175.038 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -133.67 -169.22 12.04 Favored Glycine 0 N--CA 1.446 -0.672 0 CA-C-N 115.697 -0.683 . . . . 71.43 111.792 -177.908 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 108' ' ' ARG . . . . . 0.577 ' HA ' ' O ' ' A' ' 90' ' ' PRO . 11.1 mmt180 -100.5 6.13 44.24 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.275 0.56 . . . . 73.23 110.866 -176.932 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 109' ' ' SER . . . . . 0.418 ' HB2' HG23 ' A' ' 112' ' ' VAL . 16.0 m -159.56 163.71 34.89 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 108.169 -1.049 . . . . 63.52 108.169 176.455 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 86.8 mttt -57.06 -41.15 78.23 Favored 'General case' 0 C--N 1.331 -0.222 0 N-CA-C 109.405 -0.591 . . . . 74.14 109.405 174.89 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 72.1 tttt -55.36 -53.53 55.0 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-N 114.982 -1.008 . . . . 72.31 110.544 177.859 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 112' ' ' VAL . . . . . 0.71 ' O ' ' HG2' ' A' ' 116' ' ' GLU . 24.6 t -62.17 -55.57 23.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 115.278 -0.874 . . . . 72.51 110.532 -178.946 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -56.68 -36.65 69.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.863 -0.608 . . . . 71.11 111.859 -175.405 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 114' ' ' ARG . . . . . 0.574 ' HA ' HG21 ' A' ' 94' ' ' ILE . 34.9 ttp180 -61.2 -48.07 83.22 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.956 -0.565 . . . . 74.11 110.227 178.294 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 69.4 mt -62.4 -46.41 96.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 115.452 -0.795 . . . . 72.13 111.402 175.238 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 116' ' ' GLU . . . . . 0.71 ' HG2' ' O ' ' A' ' 112' ' ' VAL . 12.8 mm-40 -60.08 -36.59 77.72 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.975 0.417 . . . . 75.11 111.34 -179.512 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 117' ' ' ALA . . . . . 0.614 ' HB1' HG12 ' A' ' 96' ' ' VAL . . . -63.04 -49.48 74.41 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.844 -0.617 . . . . 72.31 110.653 176.757 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 118' ' ' ALA . . . . . 0.525 ' O ' ' HG ' ' A' ' 122' ' ' LEU . . . -63.7 -31.96 73.29 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.373 -0.83 . . . . 71.52 110.922 179.58 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -60.82 -41.51 95.86 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.159 -0.473 . . . . 41.42 110.818 177.832 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 120' ' ' THR . . . . . 0.758 ' HA ' ' HE ' ' A' ' 123' ' ' ARG . 85.8 m -68.33 -38.62 81.72 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.034 0.445 . . . . 74.34 110.586 177.787 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -57.88 -50.51 73.08 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.937 -0.574 . . . . 72.41 110.859 177.009 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 122' ' ' LEU . . . . . 0.525 ' HG ' ' O ' ' A' ' 118' ' ' ALA . 75.8 mt -56.41 -52.62 63.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.994 -0.548 . . . . 75.53 111.089 -179.193 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 123' ' ' ARG . . . . . 0.758 ' HE ' ' HA ' ' A' ' 120' ' ' THR . 14.2 ptt180 -70.14 -6.26 32.91 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.266 -0.424 . . . . 65.44 111.862 -175.361 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -94.41 -21.24 19.06 Favored 'General case' 0 N--CA 1.448 -0.563 0 N-CA-C 109.658 -0.497 . . . . 74.12 109.658 175.488 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 28.7 m-85 -85.43 -44.54 12.66 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 61.1 110.455 177.753 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 126' ' ' ILE . . . . . 0.512 HD13 ' O ' ' A' ' 122' ' ' LEU . 0.2 OUTLIER . . . . . 0 C--N 1.323 -0.549 0 CA-C-O 121.131 0.491 . . . . 72.35 110.327 176.826 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 64' ' ' ASN . . . . . 0.559 HD21 ' N ' ' A' ' 64' ' ' ASN . 0.0 OUTLIER . . . . . 0 CA--C 1.511 -0.547 0 N-CA-C 108.924 -0.769 . . . . 70.23 108.924 . . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 65' ' ' THR . . . . . 0.416 HG21 ' HB2' ' A' ' 119' ' ' ALA . 41.5 p -64.07 -21.97 66.74 Favored 'General case' 0 C--N 1.311 -1.084 0 CA-C-N 114.991 -1.004 . . . . 74.31 111.436 -175.491 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 38.6 t -59.04 -46.69 91.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 115.653 -0.703 . . . . 73.35 110.471 177.812 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -66.89 -38.72 86.79 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.737 -0.665 . . . . 43.54 110.26 178.403 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' MET . . . . . 0.468 ' HB2' HD11 ' A' ' 122' ' ' LEU . 85.1 mmm -58.64 -44.01 89.93 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.576 -0.738 . . . . 73.53 111.053 178.686 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.742 ' HB3' HD13 ' A' ' 76' ' ' LEU . 1.0 OUTLIER -62.22 -35.64 79.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.98 -0.554 . . . . 73.52 111.245 -179.368 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 70' ' ' ASN . . . . . 0.445 ' ND2' HD11 ' A' ' 76' ' ' LEU . 22.8 m-80 -70.07 -22.69 63.03 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.284 0.564 . . . . 63.32 110.357 -178.768 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -81.13 -34.47 32.49 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.587 -0.733 . . . . 62.25 110.349 178.191 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 67.8 mt -81.4 -59.95 2.45 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.904 -0.589 . . . . 53.43 111.572 -177.584 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 27.2 mmm180 -129.85 164.98 22.95 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 110.219 -0.289 . . . . 74.0 110.219 -174.254 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 12.6 p-80 -119.78 164.37 16.08 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 109.541 -0.54 . . . . 74.43 109.541 175.217 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 85.79 31.53 20.79 Favored Glycine 0 N--CA 1.442 -0.937 0 C-N-CA 120.38 -0.914 . . . . 70.12 111.08 -177.755 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.823 ' H ' HD23 ' A' ' 76' ' ' LEU . 1.3 pt? -98.06 101.67 13.21 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.203 0.525 . . . . 75.33 110.397 -179.518 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 4.6 mp -102.01 110.8 29.71 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 CA-C-N 116.254 -0.43 . . . . 74.21 110.551 -178.349 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 78' ' ' TYR . . . . . 0.415 ' CE1' HD12 ' A' ' 76' ' ' LEU . 81.5 m-85 -86.22 129.3 34.89 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.286 -0.416 . . . . 73.15 109.902 176.133 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 13.8 ptpt -139.91 147.21 40.25 Favored 'General case' 0 C--N 1.32 -0.716 0 N-CA-C 110.008 -0.368 . . . . 75.23 110.008 179.224 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.504 HD22 ' HE2' ' A' ' 110' ' ' LYS . 44.9 tp -86.06 104.63 15.83 Favored 'General case' 0 C--N 1.319 -0.738 0 N-CA-C 109.327 -0.62 . . . . 71.15 109.327 175.677 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -90.39 -23.29 21.11 Favored 'General case' 0 C--N 1.325 -0.486 0 C-N-CA 120.187 -0.605 . . . . 74.3 111.71 -176.235 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 48.8 m -153.56 143.87 22.31 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.732 0.301 . . . . 73.51 110.829 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 22.1 tm0? -146.32 111.24 5.29 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 109.406 -0.59 . . . . 72.21 109.406 177.251 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 18.5 p -144.26 146.57 32.73 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.197 -0.456 . . . . 35.0 110.755 -178.404 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 137.05 -179.99 17.41 Favored Glycine 0 N--CA 1.448 -0.525 0 C-N-CA 120.177 -1.011 . . . . 61.42 113.3 173.376 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 40.0 Cg_endo -67.81 -178.2 1.54 Allowed 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 123.208 2.605 . . . . 73.1 112.336 177.467 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 7.6 p -89.33 -30.97 5.25 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-O 120.832 0.348 . . . . 64.53 111.115 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 32.3 p-80 -72.89 -28.08 62.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.048 0.452 . . . . 71.12 110.246 179.373 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -148.68 75.01 10.27 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-N 115.841 -0.618 . . . . 53.15 110.597 178.367 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 90' ' ' PRO . . . . . 0.575 ' O ' ' HA ' ' A' ' 108' ' ' ARG . 1.8 Cg_endo -78.5 134.56 12.54 Favored 'Trans proline' 0 N--CA 1.454 -0.798 0 C-N-CA 122.443 2.095 . . . . 74.53 111.087 177.932 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.457 HD21 ' HB3' ' A' ' 106' ' ' GLN . 3.2 tm? -92.63 113.89 26.3 Favored 'General case' 0 C--N 1.315 -0.909 0 CA-C-O 121.519 0.676 . . . . 60.15 109.997 -178.334 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.497 ' CE1' ' HB2' ' A' ' 90' ' ' PRO . 26.2 m-85 -100.85 134.34 43.97 Favored 'General case' 0 C--N 1.315 -0.911 0 CA-C-N 114.996 -1.002 . . . . 74.15 109.252 177.861 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 93' ' ' THR . . . . . 0.493 HG22 HD11 ' A' ' 104' ' ' LEU . 13.8 m -117.54 98.67 6.51 Favored 'General case' 0 N--CA 1.443 -0.823 0 N-CA-C 109.898 -0.408 . . . . 52.43 109.898 -178.297 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 94' ' ' ILE . . . . . 0.443 HG21 ' HA ' ' A' ' 114' ' ' ARG . 7.5 mm -96.3 128.78 47.18 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.757 0 CA-C-N 115.684 -0.689 . . . . 63.42 109.927 -179.226 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 95' ' ' SER . . . . . 0.591 ' HB2' ' HD3' ' A' ' 102' ' ' LYS . 1.9 p -109.4 130.09 55.51 Favored 'General case' 0 C--N 1.311 -1.098 0 CA-C-N 115.664 -0.698 . . . . 73.45 110.382 177.827 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.51 HG12 ' HB1' ' A' ' 117' ' ' ALA . 7.7 p -122.96 124.93 71.43 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.843 0 CA-C-O 121.284 0.564 . . . . 65.33 109.939 176.642 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 7.4 tt0 -97.29 111.72 23.84 Favored 'General case' 0 C--N 1.313 -0.981 0 CA-C-N 115.915 -0.584 . . . . 75.52 109.499 -178.857 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 38.2 t -124.64 125.37 69.92 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 CA-C-N 115.941 -0.572 . . . . 64.14 110.605 -174.88 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 12.9 t70 61.21 7.47 1.66 Allowed 'General case' 0 N--CA 1.47 0.537 0 CA-C-N 115.649 -0.705 . . . . 51.11 111.895 178.676 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 113.55 -13.09 23.06 Favored Glycine 0 N--CA 1.447 -0.573 0 C-N-CA 120.732 -0.747 . . . . 74.13 112.317 -179.045 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 101' ' ' GLN . . . . . 0.53 ' HB3' ' CE2' ' A' ' 103' ' ' TYR . 8.7 tp60 -96.89 133.79 41.07 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 109.205 -0.665 . . . . 64.52 109.205 179.449 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 102' ' ' LYS . . . . . 0.591 ' HD3' ' HB2' ' A' ' 95' ' ' SER . 0.8 OUTLIER -96.62 106.2 18.43 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 121.205 0.526 . . . . 74.01 109.911 179.765 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 103' ' ' TYR . . . . . 0.53 ' CE2' ' HB3' ' A' ' 101' ' ' GLN . 86.8 m-85 -92.4 151.6 20.16 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.563 -0.744 . . . . 75.54 110.222 -178.799 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.493 HD11 HG22 ' A' ' 93' ' ' THR . 12.2 tp -123.16 139.16 54.35 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 120.881 0.372 . . . . 71.04 111.147 -175.03 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 105' ' ' GLY . . . . . 0.453 ' HA3' ' N ' ' A' ' 117' ' ' ALA . . . -133.87 133.26 6.81 Favored Glycine 0 N--CA 1.445 -0.743 0 N-CA-C 111.554 -0.618 . . . . 73.34 111.554 177.422 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 106' ' ' GLN . . . . . 0.467 ' HA ' ' O ' ' A' ' 92' ' ' PHE . 27.0 mt-30 -124.19 124.07 41.65 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 120.951 0.405 . . . . 73.42 110.96 -175.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -144.72 -179.75 21.32 Favored Glycine 0 C--O 1.227 -0.286 0 N-CA-C 111.022 -0.831 . . . . 72.42 111.022 -179.738 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 108' ' ' ARG . . . . . 0.575 ' HA ' ' O ' ' A' ' 90' ' ' PRO . 38.6 mmt-85 -83.76 4.53 28.55 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-N 117.539 0.669 . . . . 65.44 110.668 -179.048 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 67.1 m -160.83 161.33 31.89 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 109.406 -0.59 . . . . 65.34 109.406 -179.885 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 110' ' ' LYS . . . . . 0.504 ' HE2' HD22 ' A' ' 80' ' ' LEU . 97.0 mttt -54.02 -41.56 68.14 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-O 120.787 0.327 . . . . 71.32 110.466 177.074 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 81.0 tttt -54.64 -56.24 21.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.557 -0.747 . . . . 75.42 111.098 -179.776 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 48.0 t -65.19 -44.69 95.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 115.917 -0.583 . . . . 72.23 110.935 -178.094 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -61.43 -37.07 82.18 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.179 -0.464 . . . . 74.11 111.065 -178.477 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 114' ' ' ARG . . . . . 0.443 ' HA ' HG21 ' A' ' 94' ' ' ILE . 26.3 ttm180 -64.79 -46.28 82.72 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.968 -0.56 . . . . 72.31 110.296 178.658 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 82.6 mt -61.43 -48.75 87.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 115.567 -0.742 . . . . 74.22 110.882 177.007 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 14.1 mm-40 -59.92 -36.79 77.76 Favored 'General case' 0 C--N 1.321 -0.639 0 O-C-N 122.186 -0.321 . . . . 73.12 111.43 178.86 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 117' ' ' ALA . . . . . 0.51 ' HB1' HG12 ' A' ' 96' ' ' VAL . . . -61.51 -48.5 80.76 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.123 0.487 . . . . 64.42 110.275 176.038 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 118' ' ' ALA . . . . . 0.464 ' O ' ' HG ' ' A' ' 122' ' ' LEU . . . -66.47 -36.27 82.34 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.559 -0.746 . . . . 72.32 111.384 179.731 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 119' ' ' ALA . . . . . 0.416 ' HB2' HG21 ' A' ' 65' ' ' THR . . . -61.88 -38.39 88.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 74.04 110.441 178.62 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 22.8 m -64.01 -38.47 91.2 Favored 'General case' 0 N--CA 1.45 -0.436 0 CA-C-N 115.757 -0.656 . . . . 71.25 110.337 178.352 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -67.09 -47.35 71.49 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.084 -0.507 . . . . 72.4 110.716 177.914 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 122' ' ' LEU . . . . . 0.468 HD11 ' HB2' ' A' ' 68' ' ' MET . 42.6 mt -55.64 -49.65 72.3 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-N 116.179 -0.464 . . . . 60.34 111.089 -179.711 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 12.9 ptm180 -71.77 -13.14 61.62 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.907 -0.588 . . . . 63.15 111.53 -175.315 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 52.5 m -81.16 -29.91 34.56 Favored 'General case' 0 N--CA 1.438 -1.066 0 CA-C-O 121.043 0.449 . . . . 72.32 110.549 174.829 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 20.6 m-85 -81.6 -55.69 4.49 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.805 -0.634 . . . . 70.53 110.063 -178.967 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 126' ' ' ILE . . . . . 0.418 HD13 ' H ' ' A' ' 126' ' ' ILE . 0.2 OUTLIER . . . . . 0 CA--C 1.514 -0.409 0 CA-C-O 121.333 0.587 . . . . 71.12 110.96 -177.811 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 17.8 p30 . . . . . 0 N--CA 1.453 -0.28 0 CA-C-O 121.81 0.814 . . . . 70.44 110.821 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 65' ' ' THR . . . . . 0.512 ' HA ' ' HG3' ' A' ' 68' ' ' MET . 23.2 p -66.48 -25.08 66.53 Favored 'General case' 0 C--N 1.312 -1.045 0 CA-C-N 114.697 -1.138 . . . . 60.15 111.14 -179.686 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.468 HG11 ' HD2' ' A' ' 114' ' ' ARG . 4.1 m -66.65 -32.16 56.79 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-N 116.04 -0.527 . . . . 62.24 110.696 -178.931 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -76.0 -33.44 59.7 Favored 'General case' 0 N--CA 1.449 -0.477 0 N-CA-C 109.882 -0.414 . . . . 42.52 109.882 177.557 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' MET . . . . . 0.512 ' HG3' ' HA ' ' A' ' 65' ' ' THR . 21.6 mtp -63.52 -35.29 80.0 Favored 'General case' 0 C--N 1.332 -0.177 0 N-CA-C 109.707 -0.479 . . . . 64.3 109.707 176.697 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.646 ' HB3' HD13 ' A' ' 76' ' ' LEU . 6.2 mt -63.94 -38.88 92.7 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.072 -0.513 . . . . 64.44 110.967 175.649 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 28.6 m-80 -68.73 -20.94 64.41 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-O 121.381 0.61 . . . . 74.21 110.417 -179.253 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 27.7 mm-40 -80.04 -26.58 39.69 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.393 -0.821 . . . . 74.41 110.392 175.527 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.413 ' HG ' ' O ' ' A' ' 68' ' ' MET . 86.1 mt -95.82 -68.51 0.8 Allowed 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.753 -0.658 . . . . 70.12 111.537 -175.135 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 31.0 mmm180 -133.61 137.47 45.45 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.215 -0.448 . . . . 64.33 110.94 -170.618 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 3.4 p80 -88.21 174.54 8.15 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 110.042 -0.355 . . . . 63.11 110.042 175.446 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 79.52 32.66 37.16 Favored Glycine 0 N--CA 1.446 -0.693 0 C-N-CA 120.326 -0.94 . . . . 45.44 111.676 -178.432 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.814 ' H ' HD23 ' A' ' 76' ' ' LEU . 1.1 pt? -95.22 89.95 5.69 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.469 0.652 . . . . 55.42 110.344 179.842 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 77' ' ' ILE . . . . . 0.476 ' O ' ' HA ' ' A' ' 96' ' ' VAL . 4.3 mp -92.48 105.94 17.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 116.066 -0.515 . . . . 53.45 110.839 -177.788 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 78' ' ' TYR . . . . . 0.446 ' CD1' ' HB ' ' A' ' 96' ' ' VAL . 92.1 m-85 -84.9 142.12 29.93 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 109.546 -0.539 . . . . 74.45 109.546 174.462 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 7.3 ptpp? -154.52 141.26 19.04 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 110.238 -0.282 . . . . 53.42 110.238 177.197 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.476 HD22 ' HE2' ' A' ' 110' ' ' LYS . 45.0 tp -80.15 99.39 7.75 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 109.243 -0.651 . . . . 75.11 109.243 175.88 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 2.6 pt-20 -87.79 -33.31 18.69 Favored 'General case' 0 C--N 1.323 -0.578 0 C-N-CA 120.701 -0.399 . . . . 73.14 111.12 -176.55 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 82' ' ' SER . . . . . 0.511 ' HB2' ' HB ' ' A' ' 93' ' ' THR . 18.1 m -139.07 142.2 38.18 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.309 -0.405 . . . . 75.3 110.261 -177.08 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 22.3 tm0? -149.07 112.17 4.91 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 109.53 -0.544 . . . . 71.12 109.53 177.003 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 24.4 p -141.53 160.03 41.0 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.124 -0.489 . . . . 63.11 110.794 -177.509 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 124.35 -179.96 15.96 Favored Glycine 0 N--CA 1.45 -0.431 0 C-N-CA 120.607 -0.806 . . . . 75.31 112.473 173.901 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 56.9 Cg_endo -70.94 176.21 7.98 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.934 2.423 . . . . 74.4 111.669 178.099 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 7.3 p -90.77 -19.89 7.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-O 121.097 0.475 . . . . 74.12 110.827 -178.666 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 26.2 p-80 -80.28 -24.23 40.19 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.039 0.447 . . . . 74.41 109.996 177.88 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -155.72 75.14 5.09 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-N 116.068 -0.514 . . . . 65.52 110.648 178.32 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 0.9 OUTLIER -77.91 164.09 27.91 Favored 'Trans proline' 0 N--CA 1.453 -0.871 0 C-N-CA 122.219 1.946 . . . . 64.31 112.042 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.53 HD11 ' HB3' ' A' ' 106' ' ' GLN . 2.6 tm? -118.59 117.07 27.99 Favored 'General case' 0 C--N 1.315 -0.929 0 CA-C-N 116.012 -0.54 . . . . 72.23 109.759 179.679 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.488 ' O ' ' HA ' ' A' ' 106' ' ' GLN . 18.4 m-85 -102.77 134.95 45.32 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-N 115.468 -0.787 . . . . 74.42 109.275 178.431 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 93' ' ' THR . . . . . 0.511 ' HB ' ' HB2' ' A' ' 82' ' ' SER . 27.7 m -118.47 107.52 13.9 Favored 'General case' 0 C--N 1.316 -0.864 0 CA-C-O 120.981 0.42 . . . . 72.1 110.631 -178.124 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 7.4 mm -100.54 127.2 53.85 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 CA-C-N 115.65 -0.704 . . . . 63.01 110.114 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 95' ' ' SER . . . . . 0.532 ' HB2' ' HD3' ' A' ' 102' ' ' LYS . 15.5 p -107.17 119.44 39.39 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-O 120.977 0.418 . . . . 44.34 110.313 175.684 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.487 HG12 ' HB1' ' A' ' 117' ' ' ALA . 7.8 p -113.75 132.63 62.18 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 N-CA-C 109.667 -0.494 . . . . 71.42 109.667 176.714 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 16.2 tt0 -110.82 112.73 24.78 Favored 'General case' 0 C--N 1.316 -0.867 0 N-CA-C 109.857 -0.423 . . . . 72.44 109.857 -176.828 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 98' ' ' VAL . . . . . 0.414 ' HB ' ' HE2' ' A' ' 103' ' ' TYR . 40.3 t -125.8 123.29 64.0 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.67 0 CA-C-N 115.771 -0.649 . . . . 72.31 110.535 -175.711 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 57.18 27.79 14.07 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.029 -0.987 . . . . 74.23 111.731 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 93.46 -14.67 64.75 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.789 -0.719 . . . . 72.52 112.556 179.779 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 8.0 mm-40 -94.14 121.1 35.28 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.801 0.334 . . . . 72.5 110.162 179.227 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 102' ' ' LYS . . . . . 0.539 ' NZ ' ' HB3' ' A' ' 102' ' ' LYS . 0.0 OUTLIER -91.19 115.7 28.23 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-N 116.401 -0.363 . . . . 74.11 110.042 178.707 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 103' ' ' TYR . . . . . 0.414 ' HE2' ' HB ' ' A' ' 98' ' ' VAL . 60.1 m-85 -101.08 138.29 38.31 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 115.598 -0.728 . . . . 71.23 109.524 178.678 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 12.6 tp -109.95 141.35 42.83 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 116.563 -0.29 . . . . 74.34 110.505 -176.977 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -136.62 137.57 9.16 Favored Glycine 0 N--CA 1.45 -0.381 0 N-CA-C 111.404 -0.679 . . . . 73.42 111.404 177.933 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 106' ' ' GLN . . . . . 0.53 ' HB3' HD11 ' A' ' 91' ' ' LEU . 19.5 mt-30 -124.9 126.05 44.91 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.829 0.314 . . . . 74.25 110.688 -176.245 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -146.87 -175.41 19.78 Favored Glycine 0 C--O 1.225 -0.416 0 C-N-CA 120.726 -0.749 . . . . 22.51 112.466 -177.559 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 26.0 mmt180 -84.2 -3.05 57.91 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-O 120.908 0.385 . . . . 74.34 111.884 -178.644 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 66.8 m -159.64 166.94 29.62 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 108.749 -0.834 . . . . 72.25 108.749 179.025 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 110' ' ' LYS . . . . . 0.476 ' HE2' HD22 ' A' ' 80' ' ' LEU . 96.3 mttt -55.0 -39.64 69.29 Favored 'General case' 0 C--N 1.332 -0.184 0 O-C-N 123.483 0.49 . . . . 72.2 110.206 177.102 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 78.3 tttt -60.32 -53.51 56.76 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.312 -0.858 . . . . 52.14 111.273 -179.582 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 112' ' ' VAL . . . . . 0.502 ' O ' ' HG2' ' A' ' 116' ' ' GLU . 35.0 t -60.22 -49.47 84.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 115.963 -0.562 . . . . 71.52 110.307 -178.829 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -62.64 -35.54 79.93 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.026 -0.534 . . . . 63.31 111.483 -177.887 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 114' ' ' ARG . . . . . 0.468 ' HD2' HG11 ' A' ' 66' ' ' VAL . 26.2 ttm180 -60.87 -47.94 84.06 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.122 -0.49 . . . . 73.05 109.908 176.783 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 64.5 mt -61.67 -47.66 92.28 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.349 0 CA-C-N 115.671 -0.695 . . . . 60.31 111.19 176.768 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 116' ' ' GLU . . . . . 0.502 ' HG2' ' O ' ' A' ' 112' ' ' VAL . 15.9 mm-40 -57.28 -43.46 83.12 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 121.012 0.434 . . . . 70.53 111.05 178.7 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 117' ' ' ALA . . . . . 0.487 ' HB1' HG12 ' A' ' 96' ' ' VAL . . . -61.8 -45.04 95.59 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-N 116.159 -0.473 . . . . 63.1 110.801 178.697 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 118' ' ' ALA . . . . . 0.492 ' O ' ' HG ' ' A' ' 122' ' ' LEU . . . -67.58 -30.6 70.26 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.958 -0.565 . . . . 70.55 111.168 -179.669 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -62.57 -41.44 98.93 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.078 0.465 . . . . 61.35 110.201 177.275 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 37.5 m -66.66 -35.03 79.18 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.664 -0.698 . . . . 73.13 110.533 176.779 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -64.33 -47.6 78.78 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.198 -0.455 . . . . 73.24 110.58 176.888 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 122' ' ' LEU . . . . . 0.492 ' HG ' ' O ' ' A' ' 118' ' ' ALA . 60.0 mt -57.76 -50.0 74.7 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.162 -0.472 . . . . 61.43 111.188 -179.58 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 123' ' ' ARG . . . . . 0.465 ' HA ' ' O ' ' A' ' 126' ' ' ILE . 16.6 ptm180 -67.21 -14.21 62.69 Favored 'General case' 0 N--CA 1.466 0.35 0 CA-C-N 116.262 -0.426 . . . . 73.25 111.327 -176.973 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 32.5 t -79.05 -31.9 44.68 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.171 -0.468 . . . . 54.14 110.14 176.103 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 59.5 m-85 -86.16 -49.19 7.93 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.078 -0.51 . . . . 74.12 110.212 -179.34 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 126' ' ' ILE . . . . . 0.465 ' O ' ' HA ' ' A' ' 123' ' ' ARG . 0.2 OUTLIER . . . . . 0 C--N 1.328 -0.354 0 CA-C-N 115.853 -0.612 . . . . 74.15 109.922 179.883 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 64' ' ' ASN . . . . . 0.649 HD21 ' N ' ' A' ' 64' ' ' ASN . 0.0 OUTLIER . . . . . 0 C--O 1.237 0.423 0 CA-C-O 122.185 0.993 . . . . 70.33 112.394 . . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 40.0 p -63.23 -21.75 66.42 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 114.099 -1.41 . . . . 71.12 111.137 178.917 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 60.9 t -59.73 -44.17 93.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 115.42 -0.809 . . . . 42.42 110.812 177.412 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.403 ' O ' ' HG3' ' A' ' 71' ' ' GLU . . . -65.54 -40.43 92.89 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.194 0.521 . . . . 72.02 109.864 177.821 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 68' ' ' MET . . . . . 0.442 ' HB2' HD11 ' A' ' 122' ' ' LEU . 76.1 mmm -56.78 -47.32 80.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.295 -0.866 . . . . 64.4 110.761 176.32 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.52 ' HB3' HD13 ' A' ' 76' ' ' LEU . 0.7 OUTLIER -59.39 -37.42 77.93 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.764 -0.653 . . . . 74.23 111.778 -179.421 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 15.0 m-80 -67.5 -21.58 65.49 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.941 0.4 . . . . 73.32 110.893 -178.688 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.403 ' HG3' ' O ' ' A' ' 67' ' ' ALA . 61.9 mt-10 -79.91 -32.68 40.19 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.095 -0.502 . . . . 73.52 110.566 175.453 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 79.8 mt -85.72 -67.36 0.81 Allowed 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.137 -0.483 . . . . 71.12 112.071 -174.347 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 73' ' ' ARG . . . . . 0.401 HH11 ' HD3' ' A' ' 73' ' ' ARG . 6.8 tpp180 -136.59 108.88 7.29 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.339 -0.392 . . . . 60.15 110.348 -175.112 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 74' ' ' HIS . . . . . 0.521 ' HA ' HD22 ' A' ' 76' ' ' LEU . 2.8 p-80 -81.92 170.68 15.34 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.973 -0.558 . . . . 74.45 109.759 176.196 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 90.72 23.75 29.83 Favored Glycine 0 N--CA 1.443 -0.891 0 N-CA-C 109.956 -1.258 . . . . 64.4 109.956 -169.232 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.906 ' H ' HD23 ' A' ' 76' ' ' LEU . 1.8 pt? -96.88 107.98 20.59 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 114.604 -0.798 . . . . 74.12 110.283 -178.368 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 4.7 mp -103.36 110.18 29.09 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.744 0 CA-C-N 116.144 -0.48 . . . . 73.04 110.503 -179.133 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 78' ' ' TYR . . . . . 0.461 ' CD2' ' HB ' ' A' ' 96' ' ' VAL . 93.8 m-85 -85.0 124.77 32.08 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.24 -0.436 . . . . 71.13 109.836 176.237 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 79' ' ' LYS . . . . . 0.405 ' HG2' ' O ' ' A' ' 95' ' ' SER . 13.7 ptpt -131.98 131.5 42.63 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 120.917 0.389 . . . . 71.1 110.328 -178.438 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 50.1 tp -79.43 101.02 7.94 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 109.027 -0.731 . . . . 64.4 109.027 176.492 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -89.24 -31.4 17.91 Favored 'General case' 0 C--N 1.322 -0.629 0 C-N-CA 120.755 -0.378 . . . . 74.31 111.799 -173.799 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 32.5 m -145.84 130.96 18.36 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 120.852 0.358 . . . . 65.13 110.865 -176.423 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 21.6 tm0? -132.99 108.69 9.05 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 109.531 -0.544 . . . . 74.33 109.531 174.287 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 18.7 p -142.92 141.53 31.5 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.068 -0.514 . . . . 62.1 110.595 -178.079 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 139.63 160.93 8.52 Favored Glycine 0 N--CA 1.445 -0.714 0 C-N-CA 120.824 -0.703 . . . . 71.11 111.919 177.36 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 33.1 Cg_endo -64.78 170.26 10.32 Favored 'Trans proline' 0 C--O 1.225 -0.143 0 C-N-CA 123.136 2.557 . . . . 73.1 112.22 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 12.6 p -71.41 -25.93 25.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-O 120.765 0.316 . . . . 72.24 111.156 -178.615 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 34.0 p-80 -83.02 -26.2 31.43 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 120.734 0.302 . . . . 74.21 110.833 -178.882 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -148.69 72.79 10.6 Favored Pre-proline 0 C--N 1.326 -0.44 0 CA-C-O 120.837 0.351 . . . . 73.05 110.963 179.302 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 90' ' ' PRO . . . . . 0.482 ' O ' ' HA ' ' A' ' 108' ' ' ARG . 66.2 Cg_endo -82.59 144.93 12.85 Favored 'Trans proline' 0 N--CA 1.456 -0.73 0 C-N-CA 122.333 2.022 . . . . 74.13 112.177 178.531 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -107.48 118.15 35.97 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.86 -0.609 . . . . 64.34 109.551 179.767 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.429 ' O ' ' HA ' ' A' ' 106' ' ' GLN . 46.0 m-85 -103.89 133.21 49.25 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 115.361 -0.836 . . . . 72.11 109.277 178.411 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 93' ' ' THR . . . . . 0.42 HG22 HD11 ' A' ' 104' ' ' LEU . 18.4 m -119.02 105.21 11.21 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-O 120.904 0.383 . . . . 53.32 110.639 -177.853 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 5.9 mm -104.21 125.23 58.99 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.666 0 CA-C-N 115.716 -0.675 . . . . 54.13 109.585 178.947 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 95' ' ' SER . . . . . 0.483 ' HB2' ' HD3' ' A' ' 102' ' ' LYS . 0.3 OUTLIER -105.12 128.7 53.49 Favored 'General case' 0 C--N 1.314 -0.954 0 N-CA-C 109.955 -0.387 . . . . 72.3 109.955 174.539 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.561 HG12 ' HB1' ' A' ' 117' ' ' ALA . 11.8 p -116.29 128.23 73.67 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.844 0 CA-C-O 121.416 0.627 . . . . 63.51 110.004 177.462 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 18.5 tt0 -100.36 112.28 24.61 Favored 'General case' 0 C--N 1.313 -1.015 0 CA-C-N 115.642 -0.708 . . . . 63.43 109.277 179.488 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 98' ' ' VAL . . . . . 0.414 ' C ' ' H ' ' A' ' 100' ' ' GLY . 15.3 t -124.37 123.43 66.31 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.772 0 CA-C-N 115.537 -0.756 . . . . 53.24 110.041 -174.193 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 18.2 t70 66.73 -9.79 0.33 Allowed 'General case' 0 N--CA 1.474 0.771 0 CA-C-O 121.345 0.593 . . . . 74.42 111.918 -178.389 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 100' ' ' GLY . . . . . 0.414 ' H ' ' C ' ' A' ' 98' ' ' VAL . . . 118.22 -2.3 16.52 Favored Glycine 0 C--N 1.317 -0.504 0 N-CA-C 111.427 -0.669 . . . . 52.35 111.427 -173.73 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 101' ' ' GLN . . . . . 0.489 ' HB3' ' CE2' ' A' ' 103' ' ' TYR . 4.4 tp60 -99.48 135.6 40.65 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 108.829 -0.804 . . . . 64.53 108.829 175.277 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 102' ' ' LYS . . . . . 0.483 ' HD3' ' HB2' ' A' ' 95' ' ' SER . 0.0 OUTLIER -102.63 113.92 27.7 Favored 'General case' 0 C--N 1.315 -0.893 0 CA-C-O 121.199 0.523 . . . . 75.43 110.289 -177.404 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 103' ' ' TYR . . . . . 0.489 ' CE2' ' HB3' ' A' ' 101' ' ' GLN . 63.4 m-85 -104.94 139.32 39.83 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.573 -0.739 . . . . 74.22 109.977 178.786 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.42 HD11 HG22 ' A' ' 93' ' ' THR . 13.3 tp -108.1 143.03 37.39 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.824 0.345 . . . . 71.32 110.869 -176.313 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -132.52 128.35 5.16 Favored Glycine 0 N--CA 1.447 -0.615 0 N-CA-C 111.375 -0.69 . . . . 20.02 111.375 176.785 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 106' ' ' GLN . . . . . 0.429 ' HA ' ' O ' ' A' ' 92' ' ' PHE . 27.3 mt-30 -124.14 113.36 18.24 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 121.122 0.487 . . . . 65.1 110.666 -176.093 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -135.47 -177.3 14.87 Favored Glycine 0 N--CA 1.45 -0.422 0 CA-C-N 115.784 -0.644 . . . . 55.01 112.013 -177.148 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 108' ' ' ARG . . . . . 0.482 ' HA ' ' O ' ' A' ' 90' ' ' PRO . 11.5 mmt85 -92.38 6.71 45.92 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.469 0.652 . . . . 75.5 110.743 -176.806 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 109' ' ' SER . . . . . 0.499 ' HB2' HG23 ' A' ' 112' ' ' VAL . 15.9 m -156.44 162.29 40.01 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 108.671 -0.863 . . . . 64.14 108.671 178.829 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -61.98 -37.58 85.31 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.13 0.49 . . . . 70.3 110.458 -179.407 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 79.9 tttt -66.67 -49.93 64.53 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.621 -0.718 . . . . 74.41 110.446 179.552 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 112' ' ' VAL . . . . . 0.499 HG23 ' HB2' ' A' ' 109' ' ' SER . 46.7 t -54.87 -51.34 53.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 115.817 -0.629 . . . . 71.21 110.629 177.497 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -59.29 -41.48 89.08 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.873 -0.603 . . . . 71.43 111.337 -178.215 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 11.2 ttm180 -61.57 -42.89 99.51 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.154 -0.475 . . . . 72.33 110.47 178.222 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 65.2 mt -66.91 -44.34 88.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-N 115.819 -0.628 . . . . 74.14 111.563 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 116' ' ' GLU . . . . . 0.406 ' HG2' ' O ' ' A' ' 112' ' ' VAL . 7.3 mm-40 -60.21 -37.35 80.01 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.79 0.328 . . . . 75.03 111.16 178.136 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 117' ' ' ALA . . . . . 0.561 ' HB1' HG12 ' A' ' 96' ' ' VAL . . . -64.53 -43.19 94.8 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.174 0.512 . . . . 65.31 110.367 177.422 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 118' ' ' ALA . . . . . 0.482 ' O ' ' HG ' ' A' ' 122' ' ' LEU . . . -69.67 -35.55 75.25 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.759 -0.655 . . . . 73.52 111.343 -179.693 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -61.62 -40.83 96.25 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.115 0.483 . . . . 74.12 110.477 179.562 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 120' ' ' THR . . . . . 0.446 ' O ' ' HG2' ' A' ' 123' ' ' ARG . 32.0 m -63.86 -38.64 91.86 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.548 -0.751 . . . . 73.54 110.686 177.448 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -65.68 -47.92 73.81 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.244 -0.435 . . . . 54.12 110.932 177.99 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 122' ' ' LEU . . . . . 0.482 ' HG ' ' O ' ' A' ' 118' ' ' ALA . 61.7 mt -55.18 -49.89 70.75 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.299 -0.409 . . . . 73.33 111.196 -179.226 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 123' ' ' ARG . . . . . 0.446 ' HG2' ' O ' ' A' ' 120' ' ' THR . 25.1 ptt180 -66.92 -19.11 65.67 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.134 -0.484 . . . . 74.42 110.977 -176.016 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 74.1 m -80.67 -25.09 38.46 Favored 'General case' 0 N--CA 1.438 -1.026 0 CA-C-N 116.062 -0.517 . . . . 71.44 111.032 178.031 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 18.6 m-85 -87.49 -51.17 6.07 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 109.534 -0.543 . . . . 74.34 109.534 177.508 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 126' ' ' ILE . . . . . 0.468 HD13 ' H ' ' A' ' 126' ' ' ILE . 0.2 OUTLIER . . . . . 0 C--N 1.328 -0.346 0 CA-C-N 116.039 -0.528 . . . . 52.23 109.745 176.349 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 50.1 t-20 . . . . . 0 CA--C 1.522 -0.116 0 CA-C-O 121.259 0.552 . . . . 60.41 110.435 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 43.1 p -71.41 -27.98 63.68 Favored 'General case' 0 C--N 1.315 -0.893 0 CA-C-N 115.436 -0.802 . . . . 74.43 111.449 -178.282 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 58.2 t -64.96 -42.11 93.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-O 121.39 0.614 . . . . 73.21 109.578 177.396 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.58 ' O ' ' HG3' ' A' ' 71' ' ' GLU . . . -63.17 -40.03 96.35 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.224 -0.898 . . . . 42.25 109.88 176.193 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 58.4 mmm -60.46 -46.08 91.36 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.591 -0.731 . . . . 72.44 110.786 177.468 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.584 ' HB3' HD13 ' A' ' 76' ' ' LEU . 0.9 OUTLIER -60.62 -38.03 83.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.073 -0.512 . . . . 74.02 111.491 -178.054 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 25.0 m-80 -65.5 -28.21 69.03 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.068 0.461 . . . . 55.31 110.445 179.862 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.58 ' HG3' ' O ' ' A' ' 67' ' ' ALA . 30.3 mt-10 -77.33 -41.46 40.41 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.858 -0.61 . . . . 75.22 110.336 177.881 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 75.8 mt -68.13 -59.49 3.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.923 -0.58 . . . . 72.43 111.573 -178.49 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 24.6 mmm180 -131.1 170.77 14.08 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.149 0.5 . . . . 74.24 111.409 -174.178 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 7.6 p-80 -122.76 155.02 37.37 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.612 -0.722 . . . . 72.43 109.167 173.55 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 92.72 36.91 5.94 Favored Glycine 0 N--CA 1.444 -0.781 0 C-N-CA 120.199 -1.0 . . . . 64.53 111.094 -177.331 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.676 ' H ' HD23 ' A' ' 76' ' ' LEU . 1.1 pt? -106.71 106.17 16.56 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.341 0.591 . . . . 63.3 110.088 179.36 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 77' ' ' ILE . . . . . 0.489 ' O ' ' HA ' ' A' ' 96' ' ' VAL . 4.8 mp -105.78 115.82 48.3 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 CA-C-N 115.788 -0.642 . . . . 72.24 110.402 -178.011 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 78' ' ' TYR . . . . . 0.505 ' CE1' HD12 ' A' ' 76' ' ' LEU . 87.4 m-85 -95.56 125.34 40.09 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.396 -0.366 . . . . 75.13 110.15 178.697 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 17.2 ptpt -136.85 144.22 43.48 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 120.719 0.295 . . . . 72.31 110.308 179.463 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.495 HD22 ' HE2' ' A' ' 110' ' ' LYS . 33.8 tp -82.76 111.46 18.71 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 109.348 -0.612 . . . . 71.42 109.348 177.572 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -94.8 -24.33 17.11 Favored 'General case' 0 C--N 1.323 -0.55 0 C-N-CA 120.273 -0.571 . . . . 73.31 111.48 -179.348 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 69.5 m -154.99 145.68 22.36 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.919 0.39 . . . . 73.41 111.526 -178.947 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 83' ' ' GLN . . . . . 0.402 HE21 ' HB2' ' A' ' 90' ' ' PRO . 22.7 tm0? -142.41 115.27 8.7 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 108.809 -0.811 . . . . 54.32 108.809 174.577 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 20.8 p -148.1 140.67 24.5 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.244 -0.435 . . . . 65.23 110.855 -174.829 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 144.03 -178.98 21.7 Favored Glycine 0 N--CA 1.449 -0.481 0 C-N-CA 120.156 -1.021 . . . . 62.14 112.663 174.948 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 55.8 Cg_endo -69.67 167.12 25.23 Favored 'Trans proline' 0 C--O 1.223 -0.261 0 C-N-CA 122.944 2.43 . . . . 63.35 111.656 178.636 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 10.1 p -78.45 -25.15 13.67 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 C-N-CA 120.84 -0.344 . . . . 75.41 111.022 -178.489 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 33.3 p-80 -79.33 -25.9 42.25 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-O 120.847 0.356 . . . . 75.23 110.85 -178.884 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -151.74 69.04 7.77 Favored Pre-proline 0 C--N 1.327 -0.384 0 CA-C-N 116.314 -0.403 . . . . 70.4 110.671 178.436 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 90' ' ' PRO . . . . . 0.615 ' O ' ' HA ' ' A' ' 108' ' ' ARG . 46.4 Cg_endo -71.6 143.99 43.58 Favored 'Trans proline' 0 N--CA 1.461 -0.406 0 C-N-CA 122.356 2.038 . . . . 54.44 111.769 -178.368 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.401 HD11 ' HB3' ' A' ' 106' ' ' GLN . 21.3 tp -100.82 130.73 46.88 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 121.388 0.613 . . . . 72.33 110.458 179.647 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.58 ' O ' ' HA ' ' A' ' 106' ' ' GLN . 11.5 m-85 -111.77 141.19 45.71 Favored 'General case' 0 C--N 1.313 -0.997 0 CA-C-N 115.107 -0.951 . . . . 74.11 109.009 179.718 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 12.9 m -122.77 101.6 7.55 Favored 'General case' 0 C--N 1.316 -0.853 0 CA-C-O 121.246 0.546 . . . . 62.43 110.202 -177.634 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 6.5 mm -98.75 129.66 48.77 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.713 0 CA-C-N 115.284 -0.871 . . . . 64.23 109.743 -179.034 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 95' ' ' SER . . . . . 0.587 ' HB2' ' HD3' ' A' ' 102' ' ' LYS . 3.2 p -107.59 126.03 52.05 Favored 'General case' 0 C--N 1.311 -1.078 0 CA-C-N 115.662 -0.699 . . . . 73.53 109.733 176.629 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.512 HG12 ' HB1' ' A' ' 117' ' ' ALA . 8.8 p -123.24 129.5 74.86 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.944 0 CA-C-O 121.116 0.484 . . . . 61.21 110.287 177.415 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 24.7 tt0 -102.39 113.76 27.36 Favored 'General case' 0 C--N 1.314 -0.971 0 N-CA-C 109.094 -0.706 . . . . 73.2 109.094 176.125 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 24.7 t -120.91 120.67 63.02 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.81 0 CA-C-N 115.539 -0.755 . . . . 73.05 110.034 -176.819 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 28.7 t70 66.14 0.44 1.65 Allowed 'General case' 0 N--CA 1.467 0.415 0 O-C-N 123.745 0.653 . . . . 74.15 111.892 176.126 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 117.58 -0.13 18.15 Favored Glycine 0 N--CA 1.448 -0.501 0 C-N-CA 121.0 -0.619 . . . . 72.43 112.081 -177.527 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 11.0 mm100 -110.25 131.45 55.05 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.796 0.331 . . . . 75.43 110.993 176.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 102' ' ' LYS . . . . . 0.587 ' HD3' ' HB2' ' A' ' 95' ' ' SER . 0.2 OUTLIER -100.39 106.35 17.94 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.198 0.523 . . . . 62.13 110.408 -177.178 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 47.7 m-85 -95.21 153.25 17.75 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.655 -0.702 . . . . 74.15 109.592 179.663 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 13.3 tp -119.85 136.57 54.43 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 120.797 0.332 . . . . 64.34 110.625 -178.83 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -131.92 134.74 7.79 Favored Glycine 0 N--CA 1.448 -0.562 0 C-N-CA 121.027 -0.606 . . . . 72.14 111.742 179.809 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 106' ' ' GLN . . . . . 0.58 ' HA ' ' O ' ' A' ' 92' ' ' PHE . 31.4 mt-30 -128.77 123.89 34.09 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 120.819 0.342 . . . . 73.4 110.754 -176.659 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -147.32 178.75 24.73 Favored Glycine 0 N--CA 1.449 -0.469 0 N-CA-C 111.447 -0.661 . . . . 74.14 111.447 -179.451 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 108' ' ' ARG . . . . . 0.615 ' HA ' ' O ' ' A' ' 90' ' ' PRO . 27.9 mmt180 -81.91 8.12 11.23 Favored 'General case' 0 N--CA 1.466 0.374 0 CA-C-N 117.205 0.502 . . . . 63.21 112.029 -176.269 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 58.1 m -165.04 164.0 20.55 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 109.181 -0.674 . . . . 60.21 109.181 178.869 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 110' ' ' LYS . . . . . 0.495 ' HE2' HD22 ' A' ' 80' ' ' LEU . 84.0 mttt -57.75 -34.51 69.62 Favored 'General case' 0 C--N 1.333 -0.148 0 O-C-N 123.194 0.309 . . . . 71.24 110.299 177.396 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 60.3 tttt -56.22 -60.06 4.04 Favored 'General case' 0 N--CA 1.454 -0.265 0 CA-C-N 115.884 -0.598 . . . . 61.43 110.572 176.613 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 112' ' ' VAL . . . . . 0.424 ' O ' ' HG2' ' A' ' 116' ' ' GLU . 23.7 t -64.55 -44.52 96.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 115.326 -0.852 . . . . 71.23 110.895 -175.682 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -59.21 -41.16 87.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.371 -0.377 . . . . 62.41 111.012 -178.793 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 17.7 ttm180 -64.45 -43.42 94.31 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.049 -0.523 . . . . 73.22 110.033 177.473 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 75.0 mt -62.85 -48.63 87.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 115.485 -0.78 . . . . 72.14 111.458 178.995 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 116' ' ' GLU . . . . . 0.424 ' HG2' ' O ' ' A' ' 112' ' ' VAL . 8.8 mm-40 -57.72 -41.31 81.51 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.746 0.308 . . . . 74.43 111.127 179.553 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 117' ' ' ALA . . . . . 0.512 ' HB1' HG12 ' A' ' 96' ' ' VAL . . . -62.21 -45.47 93.2 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.135 0.493 . . . . 64.14 110.52 178.362 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 118' ' ' ALA . . . . . 0.586 ' O ' ' HG ' ' A' ' 122' ' ' LEU . . . -67.08 -36.52 82.18 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.537 -0.756 . . . . 71.11 111.287 179.834 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -61.4 -41.49 97.22 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.074 0.464 . . . . 51.42 110.595 179.676 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 80.4 m -64.55 -40.36 95.44 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.696 -0.684 . . . . 72.03 110.584 177.373 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -61.35 -45.52 94.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.822 -0.626 . . . . 73.14 110.759 178.498 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 122' ' ' LEU . . . . . 0.586 ' HG ' ' O ' ' A' ' 118' ' ' ALA . 64.0 mt -53.45 -50.33 65.5 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-N 116.418 -0.355 . . . . 74.42 111.19 -178.587 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 13.1 ptt180 -75.09 -12.2 60.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.979 0.418 . . . . 74.33 111.079 -175.333 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 8.1 t -79.66 -26.67 40.98 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.135 -0.484 . . . . 71.3 109.768 177.686 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 125' ' ' PHE . . . . . 0.435 ' HE2' HD21 ' A' ' 69' ' ' LEU . 66.5 m-85 -83.72 -54.26 5.04 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.075 -0.511 . . . . 71.52 109.896 176.706 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 126' ' ' ILE . . . . . 0.431 ' H ' HD13 ' A' ' 126' ' ' ILE . 0.2 OUTLIER . . . . . 0 C--N 1.327 -0.402 0 CA-C-O 121.23 0.538 . . . . 72.12 110.451 178.658 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 64' ' ' ASN . . . . . 0.561 HD21 ' N ' ' A' ' 64' ' ' ASN . 0.0 OUTLIER . . . . . 0 CA--C 1.515 -0.372 0 CA-C-O 122.124 0.964 . . . . 63.3 111.55 . . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 39.9 p -61.1 -25.93 67.31 Favored 'General case' 0 C--N 1.314 -0.957 0 CA-C-N 113.824 -1.535 . . . . 62.33 111.551 -176.27 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 46.3 t -59.47 -46.78 92.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 115.519 -0.764 . . . . 74.54 110.462 177.501 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -67.22 -36.8 82.44 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.048 0.451 . . . . 55.1 110.191 178.24 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 75.6 mmm -59.47 -40.93 88.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.602 -0.726 . . . . 73.14 110.23 177.212 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.608 ' HB3' HD13 ' A' ' 76' ' ' LEU . 6.2 mt -63.53 -32.52 74.0 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.078 -0.51 . . . . 74.01 111.364 178.093 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 6.8 m-20 -66.5 -27.51 67.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.345 0.593 . . . . 65.22 109.857 -179.04 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 51.9 mm-40 -80.94 -24.62 38.02 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 114.921 -1.036 . . . . 74.52 111.012 179.52 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 90.3 mt -90.49 -63.32 1.29 Allowed 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.079 -0.509 . . . . 63.55 111.875 -178.167 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 22.9 mmm180 -139.93 143.73 36.75 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.035 0.445 . . . . 74.05 111.922 -173.329 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 3.3 p-80 -90.92 162.32 14.81 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 108.815 -0.809 . . . . 73.1 108.815 169.396 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 87.89 40.1 6.79 Favored Glycine 0 N--CA 1.442 -0.909 0 C-N-CA 120.148 -1.025 . . . . 72.02 110.754 -176.806 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.653 ' H ' HD23 ' A' ' 76' ' ' LEU . 1.1 pt? -106.58 100.71 10.21 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.182 0.515 . . . . 72.43 109.948 178.516 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 77' ' ' ILE . . . . . 0.534 ' O ' ' HA ' ' A' ' 96' ' ' VAL . 4.8 mp -100.93 110.5 28.01 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.7 0 CA-C-N 116.113 -0.494 . . . . 65.44 110.706 -176.805 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 78' ' ' TYR . . . . . 0.508 ' CD1' ' HB ' ' A' ' 96' ' ' VAL . 92.6 m-85 -89.14 121.44 31.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.417 -0.356 . . . . 70.35 110.043 176.59 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 18.3 ptpt -133.86 138.93 45.9 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-O 120.768 0.318 . . . . 73.44 110.611 178.644 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.524 HD21 ' HB2' ' A' ' 83' ' ' GLN . 43.3 tp -79.15 103.8 9.33 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 108.89 -0.781 . . . . 74.34 108.89 174.853 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -86.48 -28.04 23.7 Favored 'General case' 0 C--N 1.324 -0.529 0 C-N-CA 120.113 -0.635 . . . . 74.32 111.603 -175.354 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 46.7 m -154.71 140.36 17.98 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.733 0.302 . . . . 55.45 110.453 177.86 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 83' ' ' GLN . . . . . 0.524 ' HB2' HD21 ' A' ' 80' ' ' LEU . 23.6 tm0? -130.62 113.87 14.74 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 109.035 -0.728 . . . . 60.45 109.035 174.65 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 18.9 p -140.06 150.11 43.96 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.106 -0.497 . . . . 64.34 110.98 -175.308 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 131.36 177.92 15.17 Favored Glycine 0 N--CA 1.445 -0.708 0 C-N-CA 120.635 -0.793 . . . . 64.14 112.049 175.444 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 44.5 Cg_endo -66.85 167.44 19.55 Favored 'Trans proline' 0 N--CA 1.462 -0.325 0 C-N-CA 122.603 2.202 . . . . 62.02 111.624 178.492 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 35.2 m -84.99 -14.81 11.04 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 C-N-CA 121.004 -0.278 . . . . 64.5 111.68 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 39.6 p-80 -84.34 -28.53 26.98 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.969 0.414 . . . . 64.42 110.306 177.889 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -150.61 76.0 8.38 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-N 115.929 -0.578 . . . . 72.02 110.118 177.744 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 90' ' ' PRO . . . . . 0.402 ' HB2' ' CE1' ' A' ' 92' ' ' PHE . 5.1 Cg_exo -75.91 154.56 38.39 Favored 'Trans proline' 0 N--CA 1.457 -0.668 0 C-N-CA 122.581 2.187 . . . . 52.52 112.35 -178.048 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.479 HD11 ' HB3' ' A' ' 106' ' ' GLN . 2.9 tm? -110.75 116.84 31.99 Favored 'General case' 0 N--CA 1.443 -0.793 0 CA-C-O 121.409 0.623 . . . . 74.24 109.47 177.646 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.402 ' CE1' ' HB2' ' A' ' 90' ' ' PRO . 18.2 m-85 -101.41 132.09 47.18 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 115.488 -0.778 . . . . 74.35 109.066 179.582 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 93' ' ' THR . . . . . 0.458 HG22 HD11 ' A' ' 104' ' ' LEU . 14.6 m -114.2 100.9 8.71 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 121.092 0.472 . . . . 73.52 109.905 -176.935 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 94' ' ' ILE . . . . . 0.531 HG21 ' HA ' ' A' ' 114' ' ' ARG . 5.5 mm -96.67 126.76 49.29 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.698 0 CA-C-N 115.507 -0.77 . . . . 72.31 109.82 -179.323 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 95' ' ' SER . . . . . 0.572 ' HB2' ' HD3' ' A' ' 102' ' ' LYS . 1.8 p -106.73 124.2 49.26 Favored 'General case' 0 N--CA 1.437 -1.114 0 CA-C-N 115.523 -0.762 . . . . 61.43 109.657 176.29 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.534 ' HA ' ' O ' ' A' ' 77' ' ' ILE . 7.3 p -115.93 120.65 65.45 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.851 0 CA-C-O 121.582 0.706 . . . . 65.31 110.283 177.139 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 97' ' ' GLU . . . . . 0.466 ' HA ' ' HA ' ' A' ' 102' ' ' LYS . 15.9 tt0 -97.34 115.04 26.94 Favored 'General case' 0 C--N 1.308 -1.23 0 N-CA-C 108.669 -0.863 . . . . 75.14 108.669 177.407 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 13.2 t -123.02 118.6 55.35 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 CA-C-N 115.886 -0.597 . . . . 53.42 109.938 -177.75 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 25.1 t70 66.26 16.89 10.59 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.537 0.684 . . . . 63.3 110.455 175.114 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 109.81 -26.28 14.65 Favored Glycine 0 N--CA 1.451 -0.338 0 CA-C-N 115.821 -0.627 . . . . 52.15 112.389 -179.047 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 101' ' ' GLN . . . . . 0.434 ' HB3' ' CE2' ' A' ' 103' ' ' TYR . 0.0 OUTLIER -88.16 128.92 35.45 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 110.186 -0.301 . . . . 61.43 110.186 -177.266 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 102' ' ' LYS . . . . . 0.572 ' HD3' ' HB2' ' A' ' 95' ' ' SER . 2.5 tmmm? -96.8 118.35 33.04 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.89 0.376 . . . . 74.04 110.147 179.65 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 103' ' ' TYR . . . . . 0.48 ' CD1' ' HA ' ' A' ' 121' ' ' ALA . 57.6 m-85 -106.29 142.06 36.59 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.634 -0.712 . . . . 71.0 110.0 178.441 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.458 HD11 HG22 ' A' ' 93' ' ' THR . 12.3 tp -108.43 144.67 35.72 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 120.782 0.325 . . . . 71.41 111.071 -177.236 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 105' ' ' GLY . . . . . 0.5 ' HA3' ' N ' ' A' ' 117' ' ' ALA . . . -142.28 138.56 8.58 Favored Glycine 0 N--CA 1.448 -0.541 0 N-CA-C 111.474 -0.651 . . . . 63.32 111.474 176.938 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 106' ' ' GLN . . . . . 0.479 ' HB3' HD11 ' A' ' 91' ' ' LEU . 21.8 mt-30 -124.74 123.08 39.22 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 120.827 0.346 . . . . 64.3 110.968 -174.188 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -140.08 -179.52 17.95 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.916 -0.659 . . . . 73.33 112.019 -177.768 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 16.5 mmt180 -86.71 0.03 55.42 Favored 'General case' 0 N--CA 1.466 0.37 0 CA-C-O 121.247 0.546 . . . . 73.25 110.563 -177.323 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 67.0 m -161.25 164.22 30.46 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 108.653 -0.869 . . . . 71.02 108.653 -179.744 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 110' ' ' LYS . . . . . 0.442 ' HE2' HD22 ' A' ' 80' ' ' LEU . 86.5 mttt -54.99 -43.31 73.46 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-O 120.933 0.397 . . . . 65.4 110.822 179.23 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 81.5 tttt -60.31 -51.43 69.56 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.648 -0.705 . . . . 71.41 110.981 -177.748 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 112' ' ' VAL . . . . . 0.6 ' O ' ' HG2' ' A' ' 116' ' ' GLU . 30.3 t -57.99 -53.12 49.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 115.377 -0.828 . . . . 61.01 110.633 177.973 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -58.97 -36.6 75.12 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.988 -0.551 . . . . 72.11 111.738 -176.815 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 114' ' ' ARG . . . . . 0.531 ' HA ' HG21 ' A' ' 94' ' ' ILE . 39.7 ttm180 -59.86 -45.47 92.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.135 -0.484 . . . . 74.42 110.449 178.273 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 52.5 mt -65.6 -45.83 91.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 115.757 -0.656 . . . . 73.41 111.227 176.979 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 116' ' ' GLU . . . . . 0.6 ' HG2' ' O ' ' A' ' 112' ' ' VAL . 7.0 mm-40 -58.69 -38.2 77.74 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.056 0.455 . . . . 62.43 110.952 178.762 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 117' ' ' ALA . . . . . 0.522 ' HB1' HG12 ' A' ' 96' ' ' VAL . . . -63.87 -46.67 83.93 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.81 -0.632 . . . . 45.23 111.095 178.397 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 118' ' ' ALA . . . . . 0.563 ' O ' ' HG ' ' A' ' 122' ' ' LEU . . . -66.46 -27.24 67.65 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.922 -0.581 . . . . 70.24 111.082 -179.386 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -61.31 -45.39 94.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.06 -0.518 . . . . 73.43 110.878 177.614 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 120' ' ' THR . . . . . 0.418 ' O ' ' HG2' ' A' ' 123' ' ' ARG . 35.8 m -62.77 -40.22 96.62 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.985 -0.552 . . . . 64.54 110.266 176.628 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 121' ' ' ALA . . . . . 0.48 ' HA ' ' CD1' ' A' ' 103' ' ' TYR . . . -57.21 -52.11 66.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.652 -0.704 . . . . 51.11 111.103 179.501 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 122' ' ' LEU . . . . . 0.563 ' HG ' ' O ' ' A' ' 118' ' ' ALA . 64.4 mt -52.17 -50.58 61.56 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.879 -0.6 . . . . 51.04 111.735 -176.161 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 123' ' ' ARG . . . . . 0.418 ' HG2' ' O ' ' A' ' 120' ' ' THR . 11.6 ptm180 -66.74 -20.88 66.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 74.44 111.48 -174.193 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 8.5 t -78.98 -29.26 43.73 Favored 'General case' 0 C--N 1.327 -0.397 0 C-N-CA 120.928 -0.309 . . . . 71.25 110.579 178.207 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 79.8 m-85 -81.47 -61.57 1.9 Allowed 'General case' 0 CA--C 1.516 -0.338 0 CA-C-O 120.941 0.4 . . . . 72.04 110.374 -179.704 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 126' ' ' ILE . . . . . 0.528 HD13 ' H ' ' A' ' 126' ' ' ILE . 0.3 OUTLIER . . . . . 0 C--N 1.32 -0.68 0 CA-C-N 115.942 -0.572 . . . . 71.42 109.581 179.583 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 64' ' ' ASN . . . . . 0.601 ' HB3' HG12 ' A' ' 115' ' ' ILE . 0.0 OUTLIER . . . . . 0 C--O 1.239 0.533 0 CA-C-O 121.684 0.754 . . . . 60.41 111.074 . . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 65' ' ' THR . . . . . 0.417 HG22 HD12 ' A' ' 122' ' ' LEU . 12.4 p -67.42 -13.29 61.89 Favored 'General case' 0 C--N 1.316 -0.883 0 CA-C-N 114.498 -1.228 . . . . 72.41 110.734 177.421 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 86.3 t -67.52 -48.21 77.78 Favored 'Isoleucine or valine' 0 C--O 1.233 0.196 0 CA-C-N 115.994 -0.548 . . . . 65.25 110.503 179.777 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -63.19 -37.97 89.34 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.086 -0.507 . . . . 64.4 109.99 176.712 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 73.5 mmm -57.81 -40.58 80.29 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.619 -0.719 . . . . 72.1 110.879 175.428 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.568 ' HB3' HD13 ' A' ' 76' ' ' LEU . 4.4 mt -63.89 -34.36 77.78 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.02 -0.536 . . . . 75.51 111.427 179.308 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -70.7 -20.91 62.63 Favored 'General case' 0 N--CA 1.467 0.393 0 CA-C-O 121.337 0.589 . . . . 61.34 110.031 -178.545 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 21.2 mm-40 -78.31 -32.29 49.26 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.479 -0.782 . . . . 74.14 110.443 176.387 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 90.7 mt -90.15 -50.68 5.86 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.003 -0.544 . . . . 74.24 111.867 -174.818 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 73' ' ' ARG . . . . . 0.511 ' HG3' ' CZ ' ' A' ' 125' ' ' PHE . 1.8 mmp_? -137.84 164.06 29.88 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.133 0.492 . . . . 65.44 111.278 -175.016 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 1.5 p80 -126.05 166.91 16.11 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.735 -0.666 . . . . 75.54 109.372 173.489 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 85.16 25.66 39.54 Favored Glycine 0 N--CA 1.448 -0.531 0 C-N-CA 120.215 -0.993 . . . . 51.31 111.236 -176.269 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.849 ' H ' HD23 ' A' ' 76' ' ' LEU . 1.7 pt? -95.24 118.62 32.34 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.107 0.48 . . . . 71.3 110.099 -179.778 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 4.3 mp -114.61 114.71 47.38 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 CA-C-N 115.863 -0.608 . . . . 63.11 110.527 -178.534 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 95.0 m-85 -88.85 124.0 33.77 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.281 -0.418 . . . . 74.45 110.187 177.605 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 17.3 ptpt -136.15 135.74 39.47 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 116.096 -0.502 . . . . 41.43 110.875 -178.961 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 45.0 tp -76.48 103.0 6.25 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 109.125 -0.694 . . . . 71.11 109.125 174.359 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -92.4 -22.98 19.35 Favored 'General case' 0 C--N 1.325 -0.466 0 C-N-CA 120.883 -0.327 . . . . 74.31 111.694 -175.732 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 82' ' ' SER . . . . . 0.505 ' HB2' ' HB ' ' A' ' 93' ' ' THR . 48.5 m -150.13 144.6 25.8 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 120.863 0.363 . . . . 72.41 111.022 -179.316 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 19.5 tm0? -146.12 120.12 9.39 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 109.496 -0.557 . . . . 62.34 109.496 177.889 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 7.4 p -147.15 155.46 42.15 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.295 -0.412 . . . . 62.11 110.854 -179.048 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 120.23 175.71 15.62 Favored Glycine 0 N--CA 1.449 -0.466 0 C-N-CA 120.587 -0.816 . . . . 63.01 112.816 176.909 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo -73.02 153.68 52.39 Favored 'Trans proline' 0 C--O 1.222 -0.302 0 C-N-CA 123.213 2.609 . . . . 73.11 111.443 178.341 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 29.5 m -68.59 -21.49 26.12 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 N-CA-C 112.122 0.416 . . . . 75.24 112.122 -177.017 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 37.3 p-80 -78.12 -33.17 50.68 Favored 'General case' 0 C--O 1.232 0.155 0 C-N-CA 120.784 -0.366 . . . . 75.44 110.872 179.385 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -147.71 72.48 11.56 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.321 -0.4 . . . . 72.31 110.499 179.488 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 90' ' ' PRO . . . . . 0.508 ' O ' ' HA ' ' A' ' 108' ' ' ARG . 1.0 OUTLIER -81.71 164.04 18.48 Favored 'Trans proline' 0 N--CA 1.454 -0.832 0 C-N-CA 122.692 2.261 . . . . 53.43 112.662 -175.989 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -112.18 119.01 36.92 Favored 'General case' 0 C--N 1.32 -0.716 0 N-CA-C 108.896 -0.779 . . . . 74.21 108.896 175.725 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.443 ' O ' ' HA ' ' A' ' 106' ' ' GLN . 69.0 m-85 -106.0 135.25 47.79 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 115.474 -0.784 . . . . 72.15 109.842 179.732 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 93' ' ' THR . . . . . 0.505 ' HB ' ' HB2' ' A' ' 82' ' ' SER . 38.7 m -117.58 101.72 8.59 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 121.129 0.49 . . . . 74.11 110.044 -178.493 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 94' ' ' ILE . . . . . 0.52 HG21 ' HA ' ' A' ' 114' ' ' ARG . 6.3 mm -99.33 129.43 49.82 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 CA-C-N 115.591 -0.731 . . . . 74.25 109.628 179.454 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 95' ' ' SER . . . . . 0.604 ' HB2' ' HD3' ' A' ' 102' ' ' LYS . 2.2 p -108.86 144.21 37.04 Favored 'General case' 0 C--N 1.314 -0.957 0 CA-C-N 116.362 -0.381 . . . . 42.04 110.115 174.311 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.455 HG12 ' HB1' ' A' ' 117' ' ' ALA . 7.6 p -136.89 126.07 36.75 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.829 0 CA-C-O 121.099 0.476 . . . . 71.53 110.298 175.67 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 97' ' ' GLU . . . . . 0.473 ' HA ' ' HA ' ' A' ' 102' ' ' LYS . 25.7 tt0 -94.36 114.46 26.51 Favored 'General case' 0 C--N 1.315 -0.908 0 N-CA-C 109.094 -0.706 . . . . 63.13 109.094 177.368 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 30.0 t -123.0 116.86 49.96 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.83 0 CA-C-N 115.75 -0.659 . . . . 64.24 110.149 -175.819 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 14.4 t70 62.57 21.61 12.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.607 -0.724 . . . . 60.44 110.683 178.755 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 107.44 -28.65 12.04 Favored Glycine 0 N--CA 1.449 -0.478 0 C-N-CA 120.81 -0.709 . . . . 63.44 112.37 179.36 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 9.5 mm100 -86.24 129.18 34.94 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 120.984 0.421 . . . . 32.21 111.053 -179.151 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 102' ' ' LYS . . . . . 0.604 ' HD3' ' HB2' ' A' ' 95' ' ' SER . 0.7 OUTLIER -96.96 110.56 23.06 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.886 -0.597 . . . . 72.1 109.905 -177.767 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 70.8 m-85 -98.41 164.67 12.19 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.988 -0.551 . . . . 73.52 110.066 -178.719 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 12.0 tp -133.33 145.34 50.32 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.659 0.266 . . . . 71.2 110.777 -177.057 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 105' ' ' GLY . . . . . 0.459 ' HA3' ' N ' ' A' ' 117' ' ' ALA . . . -141.75 135.9 7.04 Favored Glycine 0 N--CA 1.447 -0.626 0 N-CA-C 111.538 -0.625 . . . . 71.14 111.538 176.279 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 106' ' ' GLN . . . . . 0.443 ' HA ' ' O ' ' A' ' 92' ' ' PHE . 23.5 mt-30 -122.14 119.59 31.74 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 120.746 0.307 . . . . 55.22 110.659 -176.78 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -136.63 174.78 21.4 Favored Glycine 0 N--CA 1.449 -0.49 0 C-N-CA 120.853 -0.689 . . . . 63.02 112.426 -177.587 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 108' ' ' ARG . . . . . 0.508 ' HA ' ' O ' ' A' ' 90' ' ' PRO . 28.9 mmt180 -84.12 5.64 25.42 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.177 0.513 . . . . 73.03 111.28 -178.182 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 109' ' ' SER . . . . . 0.579 ' HB2' HG23 ' A' ' 112' ' ' VAL . 27.2 m -159.55 161.79 35.29 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 108.672 -0.862 . . . . 74.43 108.672 -179.667 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 95.9 mttt -59.96 -37.13 78.69 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.425 0.631 . . . . 73.24 109.937 178.38 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 9.7 tmtt? -63.57 -45.84 88.63 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.194 -0.912 . . . . 65.12 110.862 178.303 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 112' ' ' VAL . . . . . 0.579 HG23 ' HB2' ' A' ' 109' ' ' SER . 27.6 t -63.82 -53.35 45.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.148 -0.478 . . . . 73.14 110.536 -179.156 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -58.13 -38.84 77.29 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.597 -0.729 . . . . 71.1 111.806 -175.846 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 114' ' ' ARG . . . . . 0.52 ' HA ' HG21 ' A' ' 94' ' ' ILE . 9.1 ttp180 -58.1 -44.89 87.92 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 121.369 0.604 . . . . 73.35 110.39 178.006 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 115' ' ' ILE . . . . . 0.601 HG12 ' HB3' ' A' ' 64' ' ' ASN . 60.9 mt -69.37 -44.88 79.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-N 115.512 -0.767 . . . . 71.44 111.621 179.513 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 116' ' ' GLU . . . . . 0.483 ' HG2' ' O ' ' A' ' 112' ' ' VAL . 8.2 mm-40 -58.58 -36.2 73.58 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.956 0.407 . . . . 75.42 111.194 178.513 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 117' ' ' ALA . . . . . 0.459 ' N ' ' HA3' ' A' ' 105' ' ' GLY . . . -63.51 -43.75 96.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.116 -0.493 . . . . 72.31 110.619 176.836 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -69.61 -29.59 67.14 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.686 -0.688 . . . . 44.13 111.138 -179.404 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -62.83 -45.37 92.91 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.033 0.444 . . . . 75.53 110.612 178.303 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 28.5 m -59.95 -36.47 77.17 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.808 -0.633 . . . . 63.33 110.527 176.358 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -66.28 -47.5 73.45 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.712 -0.676 . . . . 61.4 111.333 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 122' ' ' LEU . . . . . 0.417 HD12 HG22 ' A' ' 65' ' ' THR . 30.4 mt -59.0 -46.72 87.47 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.607 -0.269 . . . . 74.33 111.451 -177.914 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 25.2 ptt180 -68.63 -19.29 64.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.069 0.461 . . . . 73.45 110.587 -177.385 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 34.6 t -72.96 -30.63 63.99 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.053 -0.521 . . . . 73.04 110.332 176.875 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 125' ' ' PHE . . . . . 0.511 ' CZ ' ' HG3' ' A' ' 73' ' ' ARG . 60.7 m-85 -85.88 -58.29 2.71 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.115 -0.493 . . . . 70.22 110.462 179.712 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 126' ' ' ILE . . . . . 0.509 ' H ' HD13 ' A' ' 126' ' ' ILE . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.463 0 CA-C-O 121.282 0.563 . . . . 75.24 111.271 -177.276 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 64' ' ' ASN . . . . . 0.655 HD21 ' N ' ' A' ' 64' ' ' ASN . 0.0 OUTLIER . . . . . 0 N--CA 1.449 -0.492 0 CA-C-O 121.253 0.549 . . . . 72.2 110.037 . . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 41.4 p -57.19 -27.33 61.85 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 115.028 -0.987 . . . . 74.54 111.051 -179.671 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.444 ' HA ' ' OH ' ' A' ' 78' ' ' TYR . 35.3 t -56.97 -46.88 84.09 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-N 115.453 -0.794 . . . . 71.14 110.49 175.615 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.605 ' O ' ' HG3' ' A' ' 71' ' ' GLU . . . -68.53 -39.83 80.98 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.976 -0.557 . . . . 73.23 109.981 178.148 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 68' ' ' MET . . . . . 0.434 ' HB2' HD11 ' A' ' 122' ' ' LEU . 80.6 mmm -56.27 -43.4 78.72 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 115.65 -0.705 . . . . 73.24 111.272 177.614 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.887 ' HB3' HD13 ' A' ' 76' ' ' LEU . 1.5 mt -63.14 -34.62 78.01 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.189 -0.46 . . . . 72.35 110.837 179.513 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 70' ' ' ASN . . . . . 0.4 ' ND2' HD11 ' A' ' 76' ' ' LEU . 26.9 m-80 -72.52 -16.89 61.77 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.152 0.501 . . . . 74.54 110.143 178.885 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.605 ' HG3' ' O ' ' A' ' 67' ' ' ALA . 40.1 mt-10 -91.02 -17.66 25.9 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.722 -0.672 . . . . 61.12 110.445 178.098 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 61.2 mt -101.41 -69.11 0.79 Allowed 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.925 -0.58 . . . . 72.44 111.405 -178.631 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 21.5 mmm180 -132.31 109.01 9.58 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.114 -0.494 . . . . 61.34 110.704 -172.946 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 9.5 p-80 -81.29 159.88 24.34 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 109.48 -0.563 . . . . 74.12 109.48 176.365 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 99.31 24.75 9.97 Favored Glycine 0 N--CA 1.446 -0.65 0 N-CA-C 110.16 -1.176 . . . . 25.41 110.16 -168.295 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.887 HD13 ' HB3' ' A' ' 69' ' ' LEU . 1.7 pt? -97.42 117.01 30.72 Favored 'General case' 0 N--CA 1.448 -0.542 0 CA-C-N 114.612 -0.794 . . . . 72.11 110.17 -179.396 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 77' ' ' ILE . . . . . 0.438 ' O ' ' HA ' ' A' ' 96' ' ' VAL . 4.2 mp -111.71 106.07 20.04 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.681 0 CA-C-N 116.507 -0.315 . . . . 63.13 110.865 -179.803 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 78' ' ' TYR . . . . . 0.578 ' CD2' ' HB ' ' A' ' 96' ' ' VAL . 81.4 m-85 -83.4 140.85 32.15 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 109.28 -0.637 . . . . 71.14 109.28 174.332 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 79' ' ' LYS . . . . . 0.401 ' HE3' ' HB3' ' A' ' 79' ' ' LYS . 8.1 ptpp? -151.02 151.44 32.05 Favored 'General case' 0 C--N 1.317 -0.832 0 N-CA-C 109.807 -0.442 . . . . 61.44 109.807 176.797 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 41.0 tp -91.55 106.28 18.37 Favored 'General case' 0 C--N 1.318 -0.782 0 N-CA-C 108.978 -0.749 . . . . 52.22 108.978 179.002 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -89.26 -24.1 22.17 Favored 'General case' 0 C--N 1.324 -0.528 0 C-N-CA 120.095 -0.642 . . . . 64.23 111.391 -175.888 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 62.2 m -157.21 150.56 23.96 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.675 0.274 . . . . 41.42 111.327 179.704 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 21.8 tm0? -143.64 117.47 9.33 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 109.133 -0.692 . . . . 73.2 109.133 175.323 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 19.3 p -145.91 141.25 27.61 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.474 -0.33 . . . . 62.45 111.21 -176.359 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 141.84 176.03 15.76 Favored Glycine 0 N--CA 1.45 -0.42 0 C-N-CA 120.29 -0.957 . . . . 65.44 112.991 174.846 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 59.0 Cg_endo -71.46 171.06 16.97 Favored 'Trans proline' 0 C--N 1.343 0.25 0 C-N-CA 123.004 2.469 . . . . 74.11 111.814 176.221 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 23.7 m -81.12 -18.78 11.67 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 C-N-CA 120.784 -0.366 . . . . 62.35 111.937 -178.391 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 32.9 p-80 -84.33 -27.95 27.41 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.948 0.404 . . . . 72.44 110.522 179.241 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -150.9 75.25 8.35 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-N 116.119 -0.491 . . . . 63.44 110.554 177.652 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 90' ' ' PRO . . . . . 0.505 ' O ' ' HA ' ' A' ' 108' ' ' ARG . 63.9 Cg_endo -78.96 156.42 26.76 Favored 'Trans proline' 0 N--CA 1.456 -0.698 0 C-N-CA 122.214 1.943 . . . . 75.34 111.547 179.652 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.507 HD11 ' HB3' ' A' ' 106' ' ' GLN . 22.7 tp -111.78 133.37 54.05 Favored 'General case' 0 C--N 1.315 -0.899 0 CA-C-O 121.092 0.472 . . . . 73.13 109.863 176.685 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.455 ' O ' ' HA ' ' A' ' 106' ' ' GLN . 12.1 m-85 -117.28 138.72 51.56 Favored 'General case' 0 C--N 1.312 -1.037 0 N-CA-C 108.752 -0.832 . . . . 74.12 108.752 178.233 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 93' ' ' THR . . . . . 0.457 HG22 HD11 ' A' ' 104' ' ' LEU . 26.9 m -120.08 103.4 9.25 Favored 'General case' 0 C--N 1.316 -0.884 0 CA-C-O 121.12 0.485 . . . . 65.34 110.26 -176.573 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 94' ' ' ILE . . . . . 0.437 HG21 ' HA ' ' A' ' 114' ' ' ARG . 9.6 mm -101.37 131.42 49.18 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-N 115.356 -0.838 . . . . 73.42 110.202 -177.899 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 95' ' ' SER . . . . . 0.585 ' CB ' ' HD3' ' A' ' 102' ' ' LYS . 1.6 p -112.95 113.93 26.19 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-N 115.661 -0.699 . . . . 54.53 110.731 178.608 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.578 ' HB ' ' CD2' ' A' ' 78' ' ' TYR . 7.1 p -107.72 127.35 63.81 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-O 121.144 0.497 . . . . 55.11 109.863 177.05 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 11.4 tt0 -104.16 113.37 26.87 Favored 'General case' 0 C--N 1.313 -0.993 0 CA-C-N 116.124 -0.489 . . . . 75.44 110.135 -178.387 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 22.1 t -125.68 126.25 69.89 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.633 0 CA-C-N 115.406 -0.816 . . . . 71.51 110.33 -177.82 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 56.85 31.1 19.01 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 114.884 -1.053 . . . . 70.24 111.705 179.334 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 80.27 16.51 76.14 Favored Glycine 0 N--CA 1.45 -0.409 0 C-N-CA 120.624 -0.798 . . . . 72.5 112.343 -179.831 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 101' ' ' GLN . . . . . 0.444 ' HA ' ' NE2' ' A' ' 101' ' ' GLN . 13.0 mm-40 -122.16 120.89 35.55 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.201 0.524 . . . . 74.31 110.468 176.662 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 102' ' ' LYS . . . . . 0.585 ' HD3' ' CB ' ' A' ' 95' ' ' SER . 0.7 OUTLIER -90.74 107.48 19.21 Favored 'General case' 0 C--N 1.316 -0.885 0 CA-C-N 115.514 -0.767 . . . . 51.53 110.378 -177.76 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 103' ' ' TYR . . . . . 0.455 ' HB3' ' HB ' ' A' ' 120' ' ' THR . 74.1 m-85 -96.1 133.47 40.32 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.445 -0.798 . . . . 72.11 109.701 -179.931 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.457 HD11 HG22 ' A' ' 93' ' ' THR . 12.2 tp -103.88 143.88 32.26 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 116.288 -0.415 . . . . 43.05 111.229 -176.619 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 105' ' ' GLY . . . . . 0.495 ' HA3' ' N ' ' A' ' 117' ' ' ALA . . . -140.29 130.1 4.48 Favored Glycine 0 N--CA 1.445 -0.72 0 N-CA-C 111.195 -0.762 . . . . 75.43 111.195 175.658 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 106' ' ' GLN . . . . . 0.507 ' HB3' HD11 ' A' ' 91' ' ' LEU . 23.0 mt-30 -119.29 117.01 27.43 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 120.945 0.402 . . . . 75.04 110.321 -176.285 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -134.11 -172.41 12.85 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 121.041 -0.6 . . . . 64.52 111.999 -175.997 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 108' ' ' ARG . . . . . 0.505 ' HA ' ' O ' ' A' ' 90' ' ' PRO . 10.8 mmt180 -89.14 -3.73 58.52 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.098 0.475 . . . . 70.5 110.821 -175.552 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 44.2 m -160.46 169.3 23.3 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 109.089 -0.708 . . . . 72.14 109.089 -176.998 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 93.7 mttt -57.06 -44.11 82.71 Favored 'General case' 0 N--CA 1.463 0.181 0 CA-C-O 121.194 0.521 . . . . 65.11 109.855 178.539 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 13.3 tmtt? -62.89 -48.12 80.36 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.053 -0.976 . . . . 55.25 110.321 -177.657 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 112' ' ' VAL . . . . . 0.611 ' O ' ' HG2' ' A' ' 116' ' ' GLU . 32.1 t -62.62 -50.62 79.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 116.014 -0.539 . . . . 73.23 110.617 179.453 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -62.0 -39.45 92.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.086 -0.506 . . . . 60.5 111.601 -176.621 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 114' ' ' ARG . . . . . 0.456 ' HG3' ' CD2' ' A' ' 78' ' ' TYR . 14.6 ttm180 -62.24 -41.94 98.88 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.076 -0.511 . . . . 73.03 110.335 179.435 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 68.5 mt -62.14 -49.43 84.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 115.835 -0.621 . . . . 72.54 110.781 174.68 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 116' ' ' GLU . . . . . 0.611 ' HG2' ' O ' ' A' ' 112' ' ' VAL . 55.7 mm-40 -57.85 -37.49 73.96 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.603 -0.271 . . . . 64.22 111.446 179.568 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 117' ' ' ALA . . . . . 0.549 ' HB1' HG12 ' A' ' 96' ' ' VAL . . . -63.51 -49.53 73.17 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.089 0.471 . . . . 64.14 110.9 177.179 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 118' ' ' ALA . . . . . 0.478 ' O ' ' HG ' ' A' ' 122' ' ' LEU . . . -65.56 -31.7 72.89 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.665 -0.698 . . . . 73.53 111.152 -179.415 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -61.72 -43.14 99.42 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.202 -0.454 . . . . 70.13 110.499 178.21 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 120' ' ' THR . . . . . 0.455 ' HB ' ' HB3' ' A' ' 103' ' ' TYR . 24.7 m -60.22 -39.83 88.05 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.929 -0.578 . . . . 75.04 110.416 176.863 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -63.31 -50.36 70.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.942 -0.572 . . . . 74.03 110.722 178.21 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 122' ' ' LEU . . . . . 0.478 ' HG ' ' O ' ' A' ' 118' ' ' ALA . 47.7 mt -57.86 -49.75 75.64 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.145 -0.48 . . . . 62.14 111.19 -177.909 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 13.8 ptm180 -70.18 -13.93 62.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.315 -0.402 . . . . 65.14 111.124 -175.336 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 3.1 t -85.66 -26.22 26.12 Favored 'General case' 0 N--CA 1.449 -0.499 0 N-CA-C 109.566 -0.531 . . . . 64.34 109.566 177.679 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 125' ' ' PHE . . . . . 0.406 ' HB2' HD13 ' A' ' 126' ' ' ILE . 25.2 m-85 -80.32 -57.08 3.77 Favored 'General case' 0 CA--C 1.52 -0.175 0 CA-C-O 121.233 0.54 . . . . 61.12 110.201 177.895 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 126' ' ' ILE . . . . . 0.413 HD13 ' H ' ' A' ' 126' ' ' ILE . 0.2 OUTLIER . . . . . 0 C--N 1.326 -0.416 0 CA-C-N 115.526 -0.761 . . . . 73.43 111.324 -174.839 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 64' ' ' ASN . . . . . 0.626 HD21 ' N ' ' A' ' 64' ' ' ASN . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.353 0 CA-C-O 121.54 0.686 . . . . 74.54 110.197 . . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 40.5 p -63.39 -22.79 67.09 Favored 'General case' 0 C--N 1.316 -0.86 0 CA-C-N 114.901 -1.045 . . . . 52.03 111.446 -177.293 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.405 HG13 ' CE2' ' A' ' 78' ' ' TYR . 47.8 t -58.91 -40.67 80.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 115.524 -0.762 . . . . 70.21 110.689 177.495 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -70.96 -39.31 72.62 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.898 -0.592 . . . . 60.15 110.038 177.786 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 68' ' ' MET . . . . . 0.483 ' HB2' HD11 ' A' ' 122' ' ' LEU . 80.3 mmm -59.03 -44.12 91.72 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.383 -0.826 . . . . 75.31 110.718 178.214 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.773 ' HB3' HD13 ' A' ' 76' ' ' LEU . 0.9 OUTLIER -59.94 -37.98 81.09 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.811 -0.631 . . . . 72.54 111.086 -179.901 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 70' ' ' ASN . . . . . 0.447 ' ND2' HD11 ' A' ' 76' ' ' LEU . 20.5 m-80 -65.35 -26.43 68.02 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.937 0.399 . . . . 75.11 110.8 179.035 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 23.0 mt-10 -80.37 -24.09 40.01 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.213 -0.449 . . . . 73.23 110.747 178.962 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 76.2 mt -97.35 -51.79 4.04 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.362 -0.381 . . . . 74.21 111.857 -175.402 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -130.09 174.33 9.89 Favored 'General case' 0 N--CA 1.448 -0.557 0 CA-C-O 120.729 0.3 . . . . 62.32 110.829 -173.142 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 12.7 p-80 -127.93 166.71 17.8 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.129 -0.487 . . . . 73.14 110.178 176.047 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 75.51 28.65 61.12 Favored Glycine 0 N--CA 1.453 -0.171 0 C-N-CA 120.909 -0.663 . . . . 73.22 112.575 179.157 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.795 ' H ' HD23 ' A' ' 76' ' ' LEU . 0.7 OUTLIER -85.9 98.94 11.07 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.479 0.657 . . . . 74.12 111.106 -179.138 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 77' ' ' ILE . . . . . 0.503 ' O ' ' HA ' ' A' ' 96' ' ' VAL . 3.6 mt -98.6 114.98 37.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-N 115.659 -0.701 . . . . 62.11 110.771 -179.642 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 78' ' ' TYR . . . . . 0.462 ' CD1' ' HG3' ' A' ' 114' ' ' ARG . 91.4 m-85 -93.79 120.67 34.36 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.609 -0.269 . . . . 54.14 110.42 177.379 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 17.3 ptpt -133.88 140.95 47.17 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-O 120.922 0.391 . . . . 74.24 110.582 178.639 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.468 HD22 ' HE2' ' A' ' 110' ' ' LYS . 47.0 tp -79.55 98.77 7.0 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 109.405 -0.591 . . . . 72.01 109.405 175.475 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -83.95 -24.88 30.47 Favored 'General case' 0 C--N 1.328 -0.369 0 C-N-CA 120.521 -0.472 . . . . 73.35 111.49 -175.663 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 70.6 m -157.83 144.35 17.74 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.871 0.367 . . . . 74.21 111.181 178.493 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 23.1 tm0? -132.64 111.5 11.24 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 108.989 -0.745 . . . . 71.35 108.989 173.079 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 84' ' ' THR . . . . . 0.568 ' O ' ' HB3' ' A' ' 91' ' ' LEU . 4.7 p -144.66 129.22 18.05 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.191 -0.459 . . . . 51.22 110.948 -175.416 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 164.05 177.05 36.49 Favored Glycine 0 N--CA 1.448 -0.533 0 C-N-CA 120.583 -0.818 . . . . 74.43 112.168 178.502 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 46.3 Cg_endo -70.12 166.14 29.05 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.59 2.193 . . . . 61.42 112.144 178.319 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 13.6 p -75.98 -26.07 17.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-O 120.783 0.325 . . . . 63.33 111.436 -178.388 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 39.6 p-80 -79.84 -28.33 40.1 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-O 120.839 0.352 . . . . 73.34 111.051 -179.137 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -148.78 71.57 10.48 Favored Pre-proline 0 C--N 1.328 -0.365 0 CA-C-N 116.301 -0.409 . . . . 51.13 110.705 178.973 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 90' ' ' PRO . . . . . 0.475 ' O ' ' HA ' ' A' ' 108' ' ' ARG . 37.9 Cg_endo -67.41 143.92 65.49 Favored 'Trans proline' 0 N--CA 1.464 -0.258 0 C-N-CA 122.602 2.201 . . . . 52.32 112.056 -177.14 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.568 ' HB3' ' O ' ' A' ' 84' ' ' THR . 26.4 tp -106.86 135.38 48.5 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.369 0.605 . . . . 75.22 110.651 179.625 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.49 ' O ' ' HA ' ' A' ' 106' ' ' GLN . 9.6 m-85 -113.85 142.01 46.62 Favored 'General case' 0 C--N 1.316 -0.879 0 CA-C-N 115.413 -0.812 . . . . 73.42 109.185 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 93' ' ' THR . . . . . 0.431 HG22 HD11 ' A' ' 104' ' ' LEU . 11.5 m -121.11 101.97 8.01 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-O 121.001 0.429 . . . . 74.31 110.079 -178.264 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 94' ' ' ILE . . . . . 0.487 HG21 ' HA ' ' A' ' 114' ' ' ARG . 7.4 mm -98.76 127.67 51.12 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.75 0 CA-C-N 115.467 -0.788 . . . . 75.05 109.81 -179.761 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 95' ' ' SER . . . . . 0.566 ' HB2' ' HD3' ' A' ' 102' ' ' LYS . 5.0 p -106.65 131.88 53.28 Favored 'General case' 0 C--N 1.314 -0.953 0 CA-C-N 115.673 -0.694 . . . . 63.52 110.17 177.396 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.503 ' HA ' ' O ' ' A' ' 77' ' ' ILE . 7.2 p -127.15 123.34 62.01 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.793 0 CA-C-O 121.319 0.58 . . . . 61.03 110.026 175.515 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 16.7 tt0 -96.5 110.48 22.86 Favored 'General case' 0 C--N 1.314 -0.944 0 CA-C-N 115.909 -0.587 . . . . 71.02 109.707 -178.292 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 98' ' ' VAL . . . . . 0.42 ' HB ' ' CE2' ' A' ' 103' ' ' TYR . 39.6 t -120.68 124.93 73.45 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.841 0 CA-C-N 115.689 -0.687 . . . . 73.33 110.355 -175.533 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 14.8 t70 61.58 8.84 2.45 Favored 'General case' 0 N--CA 1.468 0.427 0 CA-C-N 115.439 -0.8 . . . . 71.21 111.291 -176.305 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 105.7 -13.55 46.34 Favored Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.93 -0.652 . . . . 40.21 111.769 -177.166 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 101' ' ' GLN . . . . . 0.525 ' HB3' ' CE2' ' A' ' 103' ' ' TYR . 11.9 tp60 -86.07 130.11 34.63 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 108.721 -0.844 . . . . 65.33 108.721 177.076 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 102' ' ' LYS . . . . . 0.566 ' HD3' ' HB2' ' A' ' 95' ' ' SER . 4.0 tmmm? -94.91 106.95 18.97 Favored 'General case' 0 C--N 1.318 -0.788 0 C-N-CA 120.09 -0.644 . . . . 61.44 110.046 -179.052 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 103' ' ' TYR . . . . . 0.525 ' CE2' ' HB3' ' A' ' 101' ' ' GLN . 89.4 m-85 -92.54 143.76 26.02 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 115.507 -0.769 . . . . 72.34 110.003 179.826 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.431 HD11 HG22 ' A' ' 93' ' ' THR . 12.5 tp -118.92 137.76 53.24 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 120.905 0.383 . . . . 72.25 110.731 -175.771 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 105' ' ' GLY . . . . . 0.458 ' HA3' ' N ' ' A' ' 117' ' ' ALA . . . -134.71 136.68 8.72 Favored Glycine 0 N--CA 1.443 -0.894 0 CA-C-N 115.743 -0.662 . . . . 52.43 111.48 178.253 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 106' ' ' GLN . . . . . 0.49 ' HA ' ' O ' ' A' ' 92' ' ' PHE . 29.4 mt-30 -124.99 133.28 53.06 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 110.313 -0.254 . . . . 71.23 110.313 -176.414 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -153.27 174.19 31.99 Favored Glycine 0 N--CA 1.446 -0.646 0 C-N-CA 120.952 -0.642 . . . . 73.54 111.729 -179.038 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 108' ' ' ARG . . . . . 0.475 ' HA ' ' O ' ' A' ' 90' ' ' PRO . 30.0 mmt180 -80.73 8.84 7.19 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 117.03 0.415 . . . . 75.35 111.8 -177.361 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 42.8 m -162.71 165.93 25.01 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 108.972 -0.751 . . . . 73.33 108.972 179.82 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 110' ' ' LYS . . . . . 0.468 ' HE2' HD22 ' A' ' 80' ' ' LEU . 97.8 mttt -58.22 -42.63 86.7 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 121.035 0.445 . . . . 53.12 110.168 176.878 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 51.3 tttt -58.23 -53.87 53.39 Favored 'General case' 0 N--CA 1.452 -0.332 0 CA-C-N 115.225 -0.898 . . . . 74.25 110.721 -179.384 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 112' ' ' VAL . . . . . 0.585 ' O ' ' HG2' ' A' ' 116' ' ' GLU . 22.0 t -59.43 -52.32 62.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 115.481 -0.781 . . . . 70.11 110.265 -178.243 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -58.2 -37.44 74.8 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.036 -0.529 . . . . 63.43 111.405 -177.975 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 114' ' ' ARG . . . . . 0.487 ' HA ' HG21 ' A' ' 94' ' ' ILE . 43.3 ttm180 -65.87 -46.17 79.41 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.074 -0.512 . . . . 71.24 110.649 179.057 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 63.2 mt -63.46 -45.12 98.76 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 116.029 -0.532 . . . . 75.35 111.004 176.411 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 116' ' ' GLU . . . . . 0.585 ' HG2' ' O ' ' A' ' 112' ' ' VAL . 49.9 mm-40 -61.58 -38.67 88.38 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 120.651 0.263 . . . . 61.42 110.821 177.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 117' ' ' ALA . . . . . 0.458 ' N ' ' HA3' ' A' ' 105' ' ' GLY . . . -61.33 -47.8 84.24 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-O 121.024 0.44 . . . . 72.11 110.585 176.928 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 118' ' ' ALA . . . . . 0.491 ' O ' ' HG ' ' A' ' 122' ' ' LEU . . . -63.6 -35.9 82.05 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.85 -0.614 . . . . 60.21 110.566 177.761 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -64.36 -35.97 82.6 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.828 -0.624 . . . . 62.23 110.59 178.008 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 120' ' ' THR . . . . . 0.529 ' HA ' ' NE ' ' A' ' 123' ' ' ARG . 50.5 m -63.6 -41.34 98.33 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.125 0.488 . . . . 72.42 110.277 176.355 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -64.59 -48.44 74.94 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.977 -0.556 . . . . 62.24 110.457 177.653 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 122' ' ' LEU . . . . . 0.574 ' O ' HD13 ' A' ' 126' ' ' ILE . 48.3 mt -55.54 -52.57 63.25 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.402 -0.363 . . . . 63.15 110.827 179.186 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 123' ' ' ARG . . . . . 0.529 ' NE ' ' HA ' ' A' ' 120' ' ' THR . 14.3 ptp180 -65.11 -13.6 58.45 Favored 'General case' 0 CA--C 1.534 0.336 0 CA-C-N 115.974 -0.557 . . . . 74.42 111.217 -175.162 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 64.0 m -84.19 -27.46 28.01 Favored 'General case' 0 N--CA 1.439 -1.002 0 CA-C-N 116.409 -0.36 . . . . 60.24 111.385 174.881 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 23.3 m-85 -83.48 -49.07 9.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.304 -0.407 . . . . 65.31 111.153 -176.936 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 126' ' ' ILE . . . . . 0.574 HD13 ' O ' ' A' ' 122' ' ' LEU . 0.2 OUTLIER . . . . . 0 N--CA 1.45 -0.425 0 N-CA-C 109.732 -0.47 . . . . 74.23 109.732 -179.108 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 64' ' ' ASN . . . . . 0.654 HD21 ' N ' ' A' ' 64' ' ' ASN . 0.0 OUTLIER . . . . . 0 CA--C 1.514 -0.417 0 CA-C-O 121.546 0.689 . . . . 71.11 110.328 . . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 39.4 p -59.91 -24.79 64.6 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 114.593 -1.185 . . . . 71.52 111.605 -177.209 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 46.8 t -56.43 -44.8 81.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 115.592 -0.731 . . . . 41.11 110.881 177.823 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -68.42 -40.04 81.37 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.153 -0.476 . . . . 62.14 110.095 178.938 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 75.4 mmm -57.94 -40.48 80.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.376 -0.829 . . . . 74.12 111.101 179.053 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.812 ' HB3' HD13 ' A' ' 76' ' ' LEU . 1.3 mt -62.57 -41.52 98.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.956 -0.565 . . . . 63.21 111.127 -179.757 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 41.9 m-80 -61.08 -26.81 67.91 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-N 116.319 -0.4 . . . . 75.34 110.661 179.226 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 16.0 mt-10 -82.05 -26.89 33.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 63.24 111.217 179.567 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 49.6 mt -85.28 -59.67 2.26 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 111.999 0.37 . . . . 64.13 111.999 -176.114 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 73' ' ' ARG . . . . . 0.646 ' HG2' ' HB2' ' A' ' 99' ' ' ASP . 26.4 tpt180 -142.02 122.79 14.33 Favored 'General case' 0 N--CA 1.447 -0.613 0 C-N-CA 121.058 -0.257 . . . . 71.4 110.939 -173.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 3.3 p-80 -71.6 157.34 38.15 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.628 -0.508 . . . . 51.2 109.628 174.437 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 88.65 41.52 6.01 Favored Glycine 0 N--CA 1.444 -0.785 0 C-N-CA 120.216 -0.992 . . . . 44.15 110.885 -175.897 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.812 HD13 ' HB3' ' A' ' 69' ' ' LEU . 1.0 OUTLIER -105.11 96.91 6.86 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.398 0.618 . . . . 70.23 109.944 178.092 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 77' ' ' ILE . . . . . 0.534 ' O ' ' HA ' ' A' ' 96' ' ' VAL . 5.0 mp -99.16 107.27 20.26 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 CA-C-N 115.935 -0.575 . . . . 72.11 110.962 -176.826 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 78' ' ' TYR . . . . . 0.531 ' CD2' ' HB ' ' A' ' 96' ' ' VAL . 88.9 m-85 -85.92 127.02 34.51 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 109.582 -0.525 . . . . 63.04 109.582 175.652 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 79' ' ' LYS . . . . . 0.473 ' HG2' ' O ' ' A' ' 95' ' ' SER . 15.5 ptpt -134.53 132.79 39.58 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-O 120.917 0.389 . . . . 53.33 110.397 178.895 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.484 HD22 ' HE2' ' A' ' 110' ' ' LYS . 54.2 tp -78.18 99.48 6.23 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 109.158 -0.682 . . . . 73.01 109.158 175.725 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -87.33 -34.39 18.86 Favored 'General case' 0 C--N 1.321 -0.637 0 C-N-CA 120.584 -0.446 . . . . 73.2 111.257 -175.224 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 82' ' ' SER . . . . . 0.52 ' HB2' ' HB ' ' A' ' 93' ' ' THR . 21.8 m -139.36 142.04 37.59 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.414 -0.357 . . . . 74.44 111.071 -175.318 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 20.3 tm0? -143.83 119.37 10.37 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 109.2 -0.667 . . . . 74.54 109.2 175.406 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 9.2 p -144.12 140.06 29.21 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.528 -0.305 . . . . 73.23 111.281 -177.535 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 133.86 172.82 13.0 Favored Glycine 0 N--CA 1.445 -0.726 0 C-N-CA 120.545 -0.836 . . . . 74.32 112.75 175.685 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 57.6 Cg_endo -69.73 176.75 6.33 Favored 'Trans proline' 0 C--O 1.223 -0.226 0 C-N-CA 123.28 2.653 . . . . 70.42 111.737 176.969 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 27.4 m -86.01 -20.86 7.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 C-N-CA 120.78 -0.368 . . . . 75.31 111.116 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 38.6 p-80 -78.45 -24.52 46.0 Favored 'General case' 0 C--N 1.331 -0.231 0 C-N-CA 120.846 -0.341 . . . . 74.21 110.259 177.704 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -155.4 77.36 4.84 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-N 116.149 -0.478 . . . . 62.24 110.623 177.237 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 90' ' ' PRO . . . . . 0.496 ' O ' ' HA ' ' A' ' 108' ' ' ARG . 10.4 Cg_endo -88.07 141.85 5.28 Favored 'Trans proline' 0 N--CA 1.453 -0.859 0 C-N-CA 122.877 2.385 . . . . 72.11 112.19 -179.14 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 26.9 tp -96.63 135.05 39.08 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-O 121.483 0.658 . . . . 72.11 110.182 176.383 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 30.9 m-85 -119.18 135.77 54.51 Favored 'General case' 0 C--N 1.314 -0.959 0 CA-C-N 115.205 -0.907 . . . . 72.42 109.018 178.876 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 93' ' ' THR . . . . . 0.533 HG23 ' HG2' ' A' ' 106' ' ' GLN . 16.4 m -119.24 104.04 10.05 Favored 'General case' 0 C--N 1.315 -0.9 0 CA-C-N 116.252 -0.431 . . . . 55.5 110.177 -178.055 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 6.1 mm -101.06 128.73 52.98 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.817 0 CA-C-N 115.589 -0.732 . . . . 72.41 109.881 -179.1 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 95' ' ' SER . . . . . 0.473 ' O ' ' HG2' ' A' ' 79' ' ' LYS . 1.4 p -110.5 121.75 46.07 Favored 'General case' 0 C--N 1.312 -1.026 0 N-CA-C 109.85 -0.426 . . . . 42.53 109.85 174.749 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.59 HG12 ' HB1' ' A' ' 117' ' ' ALA . 7.4 p -111.84 122.71 66.68 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.784 0 CA-C-O 121.42 0.629 . . . . 72.1 110.046 176.815 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 97' ' ' GLU . . . . . 0.483 ' HA ' ' HA ' ' A' ' 102' ' ' LYS . 12.4 tt0 -101.12 109.78 21.71 Favored 'General case' 0 C--N 1.311 -1.084 0 N-CA-C 109.122 -0.696 . . . . 75.41 109.122 178.86 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 15.0 t -115.28 122.77 69.94 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.731 0 CA-C-N 115.576 -0.738 . . . . 44.44 110.103 -175.394 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 99' ' ' ASP . . . . . 0.646 ' HB2' ' HG2' ' A' ' 73' ' ' ARG . 33.9 t70 60.74 8.52 1.82 Allowed 'General case' 0 N--CA 1.47 0.54 0 CA-C-N 115.703 -0.68 . . . . 72.55 111.904 -179.004 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 111.43 -9.53 28.52 Favored Glycine 0 N--CA 1.449 -0.441 0 C-N-CA 121.07 -0.586 . . . . 52.31 112.337 -177.814 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 5.8 mm100 -96.95 124.26 40.88 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 110.37 -0.233 . . . . 73.31 110.37 177.464 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 102' ' ' LYS . . . . . 0.483 ' HA ' ' HA ' ' A' ' 97' ' ' GLU . 0.0 OUTLIER -95.04 116.32 28.55 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 121.038 0.447 . . . . 74.54 110.8 -177.546 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 54.1 m-85 -106.88 132.63 52.62 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.718 -0.673 . . . . 71.31 109.898 178.568 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.429 HD11 HG22 ' A' ' 93' ' ' THR . 13.6 tp -102.92 141.71 35.26 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 120.759 0.314 . . . . 62.22 110.801 -176.875 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -136.39 133.08 6.37 Favored Glycine 0 N--CA 1.447 -0.591 0 C-N-CA 121.039 -0.6 . . . . 31.34 111.679 177.373 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 106' ' ' GLN . . . . . 0.533 ' HG2' HG23 ' A' ' 93' ' ' THR . 32.7 mt-30 -124.4 122.86 38.82 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 120.919 0.39 . . . . 74.03 111.081 -176.561 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -143.57 177.05 22.61 Favored Glycine 0 N--CA 1.449 -0.451 0 N-CA-C 111.259 -0.736 . . . . 71.33 111.259 -178.966 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 108' ' ' ARG . . . . . 0.496 ' HA ' ' O ' ' A' ' 90' ' ' PRO . 20.7 mmt180 -86.77 12.1 11.65 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 117.473 0.637 . . . . 74.1 110.712 -177.188 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 109' ' ' SER . . . . . 0.509 ' HB2' HG23 ' A' ' 112' ' ' VAL . 25.3 m -161.5 159.7 28.23 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 109.101 -0.703 . . . . 41.45 109.101 -179.476 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 110' ' ' LYS . . . . . 0.484 ' HE2' HD22 ' A' ' 80' ' ' LEU . 99.5 mttt -58.45 -43.84 88.96 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-O 121.098 0.475 . . . . 73.11 110.068 178.159 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 59.1 tttt -55.43 -52.4 63.73 Favored 'General case' 0 N--CA 1.453 -0.318 0 CA-C-N 115.119 -0.946 . . . . 63.33 110.952 178.127 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 112' ' ' VAL . . . . . 0.509 HG23 ' HB2' ' A' ' 109' ' ' SER . 31.3 t -61.98 -49.92 82.2 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 115.527 -0.76 . . . . 52.12 110.721 -177.69 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -58.94 -38.04 78.1 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.966 -0.561 . . . . 61.34 111.324 -178.327 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 61.2 ttt180 -65.59 -41.99 92.21 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.931 -0.577 . . . . 75.43 110.526 179.228 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 73.3 mt -63.95 -47.37 90.83 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.342 0 CA-C-N 116.049 -0.523 . . . . 74.0 111.147 175.39 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 116' ' ' GLU . . . . . 0.444 ' HG2' ' O ' ' A' ' 112' ' ' VAL . 5.8 mm-40 -59.43 -38.94 81.97 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.024 0.44 . . . . 64.34 111.257 179.402 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 117' ' ' ALA . . . . . 0.59 ' HB1' HG12 ' A' ' 96' ' ' VAL . . . -63.97 -47.23 81.2 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.034 -0.53 . . . . 63.14 110.384 177.246 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 118' ' ' ALA . . . . . 0.545 ' O ' ' HG ' ' A' ' 122' ' ' LEU . . . -66.39 -34.12 77.25 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.647 -0.706 . . . . 75.45 111.464 -179.393 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -61.36 -43.53 98.72 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 121.108 0.48 . . . . 41.42 110.298 178.531 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 120' ' ' THR . . . . . 0.456 ' O ' ' HG2' ' A' ' 123' ' ' ARG . 25.7 m -62.51 -38.78 91.28 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.411 -0.813 . . . . 74.14 110.361 177.373 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -61.45 -51.59 68.07 Favored 'General case' 0 N--CA 1.45 -0.437 0 CA-C-N 115.745 -0.661 . . . . 33.3 110.652 178.069 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 122' ' ' LEU . . . . . 0.545 ' HG ' ' O ' ' A' ' 118' ' ' ALA . 44.3 mt -54.86 -49.14 71.86 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.889 0.376 . . . . 62.34 111.025 -177.888 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 123' ' ' ARG . . . . . 0.456 ' HG2' ' O ' ' A' ' 120' ' ' THR . 3.8 ptm180 -68.63 -12.05 60.86 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.913 -0.585 . . . . 71.3 111.336 -175.718 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 25.2 t -88.79 -26.06 21.91 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.692 -0.231 . . . . 73.21 111.01 175.591 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 68.7 m-85 -82.6 -55.76 4.27 Favored 'General case' 0 CA--C 1.518 -0.288 0 CA-C-O 120.814 0.34 . . . . 65.24 110.811 -178.963 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 126' ' ' ILE . . . . . 0.526 HD13 ' H ' ' A' ' 126' ' ' ILE . 0.2 OUTLIER . . . . . 0 N--CA 1.448 -0.545 0 CA-C-O 121.529 0.68 . . . . 74.54 110.529 -178.359 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 64' ' ' ASN . . . . . 0.692 HD21 ' N ' ' A' ' 64' ' ' ASN . 0.0 OUTLIER . . . . . 0 CA--C 1.516 -0.329 0 CA-C-O 121.369 0.605 . . . . 54.25 110.263 . . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 65' ' ' THR . . . . . 0.525 ' HA ' ' HG3' ' A' ' 68' ' ' MET . 30.7 p -59.42 -27.38 65.99 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 115.176 -0.92 . . . . 60.52 111.009 -179.915 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.444 ' HB ' ' OD1' ' A' ' 64' ' ' ASN . 33.4 t -57.76 -39.21 69.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 115.262 -0.881 . . . . 71.13 110.557 176.105 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -69.5 -38.28 77.56 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.962 -0.563 . . . . 70.4 110.339 178.786 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 68' ' ' MET . . . . . 0.525 ' HG3' ' HA ' ' A' ' 65' ' ' THR . 15.7 mtp -65.36 -36.37 83.79 Favored 'General case' 0 CA--C 1.521 -0.154 0 CA-C-N 115.991 -0.55 . . . . 74.34 109.823 179.169 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.848 ' HB3' HD13 ' A' ' 76' ' ' LEU . 1.8 mt -62.78 -35.27 79.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.897 -0.592 . . . . 71.03 111.067 178.88 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 20.6 m-80 -69.92 -24.49 63.38 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.309 0.576 . . . . 73.53 110.232 179.384 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -82.49 -25.93 33.04 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.303 -0.862 . . . . 60.43 110.723 177.716 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 85.6 mt -90.2 -65.57 1.0 Allowed 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.304 -0.407 . . . . 71.13 111.637 -177.589 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 73' ' ' ARG . . . . . 0.634 ' HG2' ' HB2' ' A' ' 99' ' ' ASP . 10.7 tpt180 -143.1 117.5 9.66 Favored 'General case' 0 N--CA 1.449 -0.481 0 CA-C-O 120.498 0.19 . . . . 74.43 110.66 -172.587 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 4.8 p-80 -72.15 161.33 31.03 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 109.706 -0.479 . . . . 75.34 109.706 173.833 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 75' ' ' GLY . . . . . 0.447 ' O ' ' HA ' ' A' ' 98' ' ' VAL . . . 90.41 44.12 4.73 Favored Glycine 0 N--CA 1.438 -1.178 0 C-N-CA 120.0 -1.095 . . . . 71.31 110.474 -174.025 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.848 HD13 ' HB3' ' A' ' 69' ' ' LEU . 0.9 OUTLIER -110.1 94.57 5.08 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.424 0.63 . . . . 75.13 109.919 179.548 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 77' ' ' ILE . . . . . 0.425 ' O ' ' HA ' ' A' ' 96' ' ' VAL . 5.0 mp -95.25 110.02 23.38 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.761 0 CA-C-N 116.006 -0.543 . . . . 55.32 110.731 -176.062 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 78' ' ' TYR . . . . . 0.51 ' CD1' ' HB ' ' A' ' 96' ' ' VAL . 86.9 m-85 -89.54 129.36 36.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.137 -0.483 . . . . 64.22 110.214 176.32 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 17.4 ptpt -139.74 143.68 37.11 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 116.386 -0.37 . . . . 45.33 110.23 175.758 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.519 HD22 ' HE2' ' A' ' 110' ' ' LYS . 40.4 tp -82.66 118.75 23.56 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 109.379 -0.6 . . . . 72.13 109.379 177.758 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 81' ' ' GLU . . . . . 0.402 ' OE1' ' HB3' ' A' ' 95' ' ' SER . 7.6 pt-20 -106.22 -30.44 9.2 Favored 'General case' 0 C--N 1.323 -0.549 0 C-N-CA 119.999 -0.68 . . . . 73.23 111.97 -178.767 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 82' ' ' SER . . . . . 0.543 ' HB2' ' HB ' ' A' ' 93' ' ' THR . 50.5 m -139.72 146.1 39.17 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 120.735 0.303 . . . . 74.55 110.592 -179.918 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 22.0 tm0? -148.24 124.1 10.61 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 109.751 -0.463 . . . . 73.23 109.751 178.385 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 19.4 p -143.89 -168.16 2.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.262 -0.426 . . . . 51.34 110.529 -179.149 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 92.41 179.96 40.73 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.947 -0.644 . . . . 60.24 113.047 175.286 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -71.15 -163.48 0.13 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 123.515 2.81 . . . . 64.03 112.348 177.146 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 35.4 m -104.42 -23.98 4.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 C-N-CA 120.705 -0.398 . . . . 72.51 110.794 176.915 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 50.3 p-80 -83.38 -26.34 30.55 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.13 -0.486 . . . . 62.32 110.538 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -156.1 70.57 5.11 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 120.839 0.352 . . . . 73.25 110.655 179.24 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 90' ' ' PRO . . . . . 0.538 ' O ' ' HA ' ' A' ' 108' ' ' ARG . 3.2 Cg_exo -77.47 178.41 7.66 Favored 'Trans proline' 0 N--CA 1.457 -0.653 0 C-N-CA 122.732 2.288 . . . . 63.01 112.213 -176.727 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 19.2 tp -121.47 130.7 53.72 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 115.826 -0.625 . . . . 72.0 110.035 175.363 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.497 ' O ' ' HA ' ' A' ' 106' ' ' GLN . 25.4 m-85 -118.38 137.55 53.05 Favored 'General case' 0 C--N 1.31 -1.111 0 CA-C-N 115.274 -0.875 . . . . 73.2 109.186 -178.742 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 93' ' ' THR . . . . . 0.543 ' HB ' ' HB2' ' A' ' 82' ' ' SER . 6.7 m -117.13 103.24 10.01 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-O 121.179 0.514 . . . . 45.45 110.149 -178.594 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 7.1 mm -98.87 127.63 51.29 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.857 0 CA-C-N 115.407 -0.815 . . . . 73.42 109.801 -178.343 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 95' ' ' SER . . . . . 0.567 ' CB ' ' HD3' ' A' ' 102' ' ' LYS . 0.3 OUTLIER -101.97 120.18 39.98 Favored 'General case' 0 C--N 1.311 -1.096 0 CA-C-N 115.812 -0.631 . . . . 63.34 109.832 174.106 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.537 HG12 ' HB1' ' A' ' 117' ' ' ALA . 9.4 p -108.61 124.98 65.5 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.828 0 CA-C-O 121.361 0.6 . . . . 74.11 110.091 176.941 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 20.9 tt0 -101.3 110.73 22.78 Favored 'General case' 0 C--N 1.309 -1.175 0 CA-C-N 115.505 -0.771 . . . . 72.21 109.047 177.462 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 98' ' ' VAL . . . . . 0.447 ' HA ' ' O ' ' A' ' 75' ' ' GLY . 13.9 t -123.0 129.41 75.11 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 CA-C-N 115.898 -0.592 . . . . 62.31 109.999 -176.093 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 99' ' ' ASP . . . . . 0.634 ' HB2' ' HG2' ' A' ' 73' ' ' ARG . 28.4 t70 66.81 -11.61 0.25 Allowed 'General case' 0 N--CA 1.471 0.587 0 CA-C-O 121.36 0.6 . . . . 54.55 111.928 179.515 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 100' ' ' GLY . . . . . 0.441 ' H ' ' C ' ' A' ' 98' ' ' VAL . . . 119.19 3.42 13.08 Favored Glycine 0 N--CA 1.446 -0.672 0 N-CA-C 111.499 -0.64 . . . . 74.33 111.499 -173.802 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 10.5 mm100 -110.68 136.94 49.01 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.805 0.336 . . . . 74.51 110.702 176.023 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 102' ' ' LYS . . . . . 0.567 ' HD3' ' CB ' ' A' ' 95' ' ' SER . 1.8 tmmm? -102.22 117.55 35.01 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-O 121.185 0.517 . . . . 73.13 110.106 -176.148 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 103' ' ' TYR . . . . . 0.484 ' HB3' ' HB ' ' A' ' 120' ' ' THR . 48.8 m-85 -108.55 148.92 29.58 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 115.445 -0.798 . . . . 74.13 109.544 178.378 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.433 HD11 HG22 ' A' ' 93' ' ' THR . 13.3 tp -114.59 147.75 39.04 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 120.758 0.313 . . . . 54.54 110.73 -175.779 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 105' ' ' GLY . . . . . 0.455 ' HA3' ' N ' ' A' ' 117' ' ' ALA . . . -147.91 137.33 6.45 Favored Glycine 0 N--CA 1.445 -0.709 0 N-CA-C 111.533 -0.627 . . . . 75.23 111.533 176.864 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 106' ' ' GLN . . . . . 0.517 ' HG2' HG23 ' A' ' 93' ' ' THR . 21.7 mt-30 -121.74 122.78 40.32 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 120.805 0.336 . . . . 75.4 110.19 -177.867 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -136.9 177.86 19.38 Favored Glycine 0 N--CA 1.448 -0.554 0 C-N-CA 120.881 -0.676 . . . . 71.34 111.739 -177.011 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 108' ' ' ARG . . . . . 0.538 ' HA ' ' O ' ' A' ' 90' ' ' PRO . 5.9 mmt180 -83.76 3.02 35.16 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.243 0.544 . . . . 65.14 111.062 -176.441 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 70.8 m -163.56 164.38 24.25 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 108.672 -0.862 . . . . 64.43 108.672 -178.574 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 110' ' ' LYS . . . . . 0.519 ' HE2' HD22 ' A' ' 80' ' ' LEU . 84.5 mttt -58.96 -39.93 83.19 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 121.04 0.448 . . . . 74.14 110.113 179.296 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 52.7 tttp -62.18 -50.9 69.97 Favored 'General case' 0 N--CA 1.449 -0.476 0 CA-C-N 115.37 -0.832 . . . . 74.41 110.856 179.675 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 46.7 t -61.74 -47.1 94.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 115.86 -0.609 . . . . 64.45 111.11 179.498 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -63.67 -34.87 78.81 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.908 0.385 . . . . 63.5 111.122 -178.824 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 63.5 ttt180 -61.54 -41.55 97.52 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.893 -0.594 . . . . 75.51 109.614 176.471 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 115' ' ' ILE . . . . . 0.427 HG12 ' HB2' ' A' ' 64' ' ' ASN . 74.5 mt -65.08 -49.26 80.33 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.304 0 CA-C-N 115.474 -0.784 . . . . 74.25 111.067 174.693 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 47.4 mm-40 -55.41 -43.76 75.56 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.656 0.265 . . . . 71.12 111.485 179.022 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 117' ' ' ALA . . . . . 0.537 ' HB1' HG12 ' A' ' 96' ' ' VAL . . . -63.17 -43.21 98.88 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.13 0.491 . . . . 73.13 110.991 179.33 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 118' ' ' ALA . . . . . 0.572 ' O ' ' HG ' ' A' ' 122' ' ' LEU . . . -65.4 -32.61 74.33 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.632 -0.713 . . . . 72.41 111.002 -179.404 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -59.29 -42.48 91.41 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.263 -0.426 . . . . 73.45 110.955 178.936 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 120' ' ' THR . . . . . 0.484 ' HB ' ' HB3' ' A' ' 103' ' ' TYR . 19.4 m -65.18 -40.79 94.75 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.863 -0.608 . . . . 34.21 110.735 178.037 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -60.23 -51.42 69.65 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.14 -0.482 . . . . 53.14 110.42 177.781 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 122' ' ' LEU . . . . . 0.572 ' HG ' ' O ' ' A' ' 118' ' ' ALA . 52.4 mt -50.14 -53.06 30.21 Favored 'General case' 0 CA--C 1.521 -0.146 0 CA-C-N 115.718 -0.674 . . . . 75.33 111.391 -178.677 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 13.7 ptm180 -68.13 -17.76 64.45 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.95 -0.568 . . . . 73.35 111.826 -173.733 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 24.7 t -75.24 -30.36 60.51 Favored 'General case' 0 C--N 1.325 -0.463 0 C-N-CA 120.728 -0.389 . . . . 75.32 110.168 176.462 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 70.8 m-85 -79.42 -56.71 4.12 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.071 -0.513 . . . . 73.3 111.175 -178.487 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 126' ' ' ILE . . . . . 0.57 HD13 ' H ' ' A' ' 126' ' ' ILE . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.483 0 CA-C-O 121.301 0.572 . . . . 73.42 109.855 179.079 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 1.1 p30 . . . . . 0 C--O 1.239 0.537 0 CA-C-O 122.379 1.085 . . . . 65.15 111.5 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 65' ' ' THR . . . . . 0.42 HG22 HD12 ' A' ' 122' ' ' LEU . 19.6 p -62.09 -22.17 65.57 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 113.871 -1.513 . . . . 64.45 113.269 -170.372 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 1.1 m -67.28 -31.48 53.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 121.004 0.43 . . . . 74.13 110.338 -176.717 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -75.32 -40.38 58.47 Favored 'General case' 0 N--CA 1.452 -0.362 0 N-CA-C 109.061 -0.718 . . . . 73.43 109.061 175.584 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 68' ' ' MET . . . . . 0.4 ' HB2' HD11 ' A' ' 122' ' ' LEU . 81.3 mmm -56.65 -45.43 81.62 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 114.969 -1.014 . . . . 74.23 110.864 176.57 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.756 ' HB3' HD13 ' A' ' 76' ' ' LEU . 0.7 OUTLIER -61.4 -36.61 80.76 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.13 -0.486 . . . . 73.14 111.601 179.697 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 70' ' ' ASN . . . . . 0.451 ' ND2' HD11 ' A' ' 76' ' ' LEU . 10.7 m-80 -66.1 -25.54 67.05 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-O 120.93 0.395 . . . . 63.43 110.52 -178.392 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -81.76 -26.51 34.43 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.605 -0.725 . . . . 74.52 110.998 178.841 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 59.2 mt -89.59 -58.19 2.61 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 112.098 0.407 . . . . 71.51 112.098 -176.393 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 73' ' ' ARG . . . . . 0.654 ' HG3' ' CZ ' ' A' ' 125' ' ' PHE . 2.6 mmp_? -135.4 167.77 20.44 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.122 0.487 . . . . 74.42 111.686 -174.003 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 1.8 p-80 -115.75 169.52 9.15 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.537 -0.756 . . . . 75.55 110.087 177.53 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 74.58 21.81 78.18 Favored Glycine 0 N--CA 1.446 -0.685 0 C-N-CA 120.55 -0.833 . . . . 75.42 111.939 -176.844 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.877 ' H ' HD23 ' A' ' 76' ' ' LEU . 1.1 pt? -76.88 79.69 3.45 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.597 0.713 . . . . 72.41 110.081 178.697 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 77' ' ' ILE . . . . . 0.428 ' O ' ' HA ' ' A' ' 96' ' ' VAL . 3.7 mt -82.46 106.52 13.43 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.7 0 CA-C-N 115.391 -0.822 . . . . 72.4 110.814 -176.269 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 93.2 m-85 -84.84 109.82 18.38 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 109.503 -0.555 . . . . 73.4 109.503 174.262 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 79' ' ' LYS . . . . . 0.507 ' HG2' ' O ' ' A' ' 95' ' ' SER . 17.1 ptpt -121.07 124.44 44.8 Favored 'General case' 0 C--N 1.315 -0.915 0 CA-C-N 115.743 -0.662 . . . . 74.21 109.905 -177.005 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 44.9 tp -73.78 111.68 9.16 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 108.717 -0.845 . . . . 60.3 108.717 177.768 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -93.31 -29.26 15.74 Favored 'General case' 0 C--N 1.323 -0.555 0 C-N-CA 120.154 -0.618 . . . . 62.45 111.691 -176.027 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 47.0 m -156.77 151.98 26.39 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.555 -0.293 . . . . 71.52 110.56 179.385 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 24.3 tm0? -151.6 116.96 5.32 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.261 -0.427 . . . . 74.22 109.872 177.209 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 2.3 p -152.98 164.65 37.56 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.139 -0.482 . . . . 72.31 110.258 179.577 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 137.38 -173.95 22.0 Favored Glycine 0 N--CA 1.448 -0.53 0 C-N-CA 120.813 -0.708 . . . . 61.55 112.2 177.865 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 65.5 Cg_endo -72.04 173.8 12.31 Favored 'Trans proline' 0 C--N 1.344 0.296 0 C-N-CA 123.073 2.515 . . . . 71.34 111.432 177.588 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 9.5 p -87.49 -27.25 5.72 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 C-N-CA 120.517 -0.473 . . . . 73.11 110.601 -179.794 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 34.5 p-80 -72.55 -27.33 62.16 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.893 0.378 . . . . 74.22 110.405 179.549 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -156.57 73.25 4.83 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-N 116.112 -0.495 . . . . 74.24 110.755 179.128 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 90' ' ' PRO . . . . . 0.402 ' HG2' ' HE1' ' A' ' 92' ' ' PHE . 37.4 Cg_endo -70.55 146.04 54.24 Favored 'Trans proline' 0 N--CA 1.461 -0.424 0 C-N-CA 122.277 1.984 . . . . 74.44 111.856 179.435 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 15.3 tp -98.8 133.08 43.61 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-O 121.456 0.646 . . . . 54.42 110.397 179.633 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.558 ' O ' ' HA ' ' A' ' 106' ' ' GLN . 18.4 m-85 -114.77 132.99 56.27 Favored 'General case' 0 C--N 1.312 -1.025 0 CA-C-N 115.048 -0.978 . . . . 71.21 108.781 178.066 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 93' ' ' THR . . . . . 0.548 HG23 ' HG2' ' A' ' 106' ' ' GLN . 11.8 m -113.38 98.69 7.25 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-O 121.218 0.532 . . . . 64.52 110.219 -177.965 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 94' ' ' ILE . . . . . 0.505 HG21 ' HA ' ' A' ' 114' ' ' ARG . 4.8 mm -97.27 128.82 48.16 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.76 0 CA-C-N 115.382 -0.827 . . . . 74.42 110.037 -179.357 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 95' ' ' SER . . . . . 0.531 ' HB2' ' HD3' ' A' ' 102' ' ' LYS . 3.9 p -109.05 120.16 41.72 Favored 'General case' 0 C--N 1.308 -1.218 0 CA-C-N 115.517 -0.765 . . . . 65.52 109.642 175.668 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.571 HG12 ' HB1' ' A' ' 117' ' ' ALA . 14.4 p -103.23 126.42 57.58 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.777 0 C-N-CA 120.166 -0.613 . . . . 74.11 109.355 175.472 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 13.9 tt0 -107.05 107.68 18.79 Favored 'General case' 0 C--N 1.31 -1.145 0 N-CA-C 109.437 -0.579 . . . . 62.44 109.437 -179.1 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 98' ' ' VAL . . . . . 0.455 HG22 ' HA ' ' A' ' 76' ' ' LEU . 26.1 t -121.7 124.94 72.67 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.875 0 CA-C-N 115.846 -0.616 . . . . 55.2 110.225 -174.418 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 4.1 t70 56.77 20.98 5.55 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.756 -0.656 . . . . 71.01 110.992 -177.488 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 97.85 -9.65 63.98 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.813 -0.708 . . . . 64.43 112.416 -179.064 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 12.7 mm100 -95.0 129.83 41.91 Favored 'General case' 0 CA--C 1.511 -0.548 0 CA-C-O 121.011 0.434 . . . . 52.41 110.756 -179.874 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 102' ' ' LYS . . . . . 0.531 ' HD3' ' HB2' ' A' ' 95' ' ' SER . 2.8 tmmm? -99.92 117.19 33.7 Favored 'General case' 0 C--N 1.316 -0.857 0 CA-C-N 115.9 -0.591 . . . . 74.12 110.164 -176.922 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 103' ' ' TYR . . . . . 0.562 ' HB3' ' HB ' ' A' ' 120' ' ' THR . 32.4 m-85 -108.39 134.62 50.95 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 108.878 -0.786 . . . . 73.2 108.878 178.792 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.485 HD11 HG22 ' A' ' 93' ' ' THR . 13.1 tp -107.41 139.33 42.06 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 121.057 0.456 . . . . 62.34 111.728 -173.5 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 105' ' ' GLY . . . . . 0.417 ' HA3' ' HB2' ' A' ' 116' ' ' GLU . . . -134.93 140.61 11.87 Favored Glycine 0 N--CA 1.445 -0.744 0 N-CA-C 110.99 -0.844 . . . . 74.43 110.99 175.743 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 106' ' ' GLN . . . . . 0.558 ' HA ' ' O ' ' A' ' 92' ' ' PHE . 30.0 mt-30 -131.1 100.77 5.33 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 121.005 0.431 . . . . 74.24 110.72 -175.137 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -117.03 -178.48 17.79 Favored Glycine 0 N--CA 1.442 -0.914 0 C-N-CA 120.671 -0.776 . . . . 64.24 112.173 -170.864 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 38.2 mmt-85 -87.14 2.53 49.55 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.5 0.667 . . . . 64.43 109.682 -179.71 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 58.8 m -162.66 162.77 27.12 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.308 -0.86 . . . . 75.31 109.083 -178.678 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 99.8 mttt -56.2 -39.95 73.23 Favored 'General case' 0 C--N 1.33 -0.272 0 O-C-N 123.324 0.39 . . . . 72.23 110.728 179.236 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 79.4 tttt -64.54 -50.99 65.15 Favored 'General case' 0 N--CA 1.453 -0.32 0 CA-C-N 116.273 -0.421 . . . . 71.12 111.139 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 61.1 t -58.64 -46.29 90.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.291 -0.413 . . . . 75.32 110.873 179.872 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -61.77 -37.63 85.04 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.046 0.451 . . . . 72.31 110.691 179.061 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 114' ' ' ARG . . . . . 0.505 ' HA ' HG21 ' A' ' 94' ' ' ILE . 20.7 ttm180 -62.63 -40.2 96.25 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.441 -0.8 . . . . 70.44 110.092 176.632 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 90.6 mt -66.89 -46.19 85.73 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.215 0 CA-C-N 116.041 -0.527 . . . . 63.53 111.27 177.396 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 116' ' ' GLU . . . . . 0.417 ' HB2' ' HA3' ' A' ' 105' ' ' GLY . 27.7 mt-10 -58.6 -42.99 89.38 Favored 'General case' 0 C--O 1.236 0.351 0 CA-C-O 121.097 0.475 . . . . 71.43 110.601 179.138 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 117' ' ' ALA . . . . . 0.571 ' HB1' HG12 ' A' ' 96' ' ' VAL . . . -62.18 -47.98 82.08 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.74 -0.664 . . . . 73.42 110.648 178.941 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 118' ' ' ALA . . . . . 0.515 ' O ' ' HG ' ' A' ' 122' ' ' LEU . . . -64.7 -35.46 81.13 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.933 -0.576 . . . . 72.0 111.444 -179.072 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -60.91 -34.76 75.17 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.14 0.495 . . . . 53.22 110.724 178.658 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 120' ' ' THR . . . . . 0.634 ' O ' ' HG2' ' A' ' 123' ' ' ARG . 21.3 m -74.41 -37.01 63.48 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.732 -0.667 . . . . 62.21 110.334 178.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -62.91 -45.17 93.77 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.204 -0.453 . . . . 74.01 110.341 176.583 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 122' ' ' LEU . . . . . 0.515 ' HG ' ' O ' ' A' ' 118' ' ' ALA . 36.2 mt -57.24 -49.95 74.43 Favored 'General case' 0 C--N 1.334 -0.105 0 CA-C-N 116.172 -0.467 . . . . 54.24 111.28 -179.916 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 123' ' ' ARG . . . . . 0.634 ' HG2' ' O ' ' A' ' 120' ' ' THR . 2.8 ptm180 -66.57 -14.4 62.31 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-N 116.114 -0.494 . . . . 73.41 111.048 -176.672 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 16.4 t -81.73 -29.12 33.03 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.324 -0.398 . . . . 63.04 110.352 175.767 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 125' ' ' PHE . . . . . 0.654 ' CZ ' ' HG3' ' A' ' 73' ' ' ARG . 43.0 m-85 -86.44 -58.53 2.58 Favored 'General case' 0 CA--C 1.518 -0.278 0 CA-C-O 121.01 0.433 . . . . 75.53 110.265 -179.468 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 126' ' ' ILE . . . . . 0.513 HD13 ' H ' ' A' ' 126' ' ' ILE . 0.2 OUTLIER . . . . . 0 C--N 1.322 -0.627 0 CA-C-O 121.352 0.596 . . . . 64.32 109.584 177.722 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 64' ' ' ASN . . . . . 0.601 HD21 ' N ' ' A' ' 64' ' ' ASN . 0.0 OUTLIER . . . . . 0 N--CA 1.451 -0.395 0 CA-C-O 122.064 0.935 . . . . 55.02 112.178 . . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 26.4 p -70.84 -24.16 62.47 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 114.521 -1.218 . . . . 75.13 111.955 -176.565 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.552 HG22 ' OD1' ' A' ' 64' ' ' ASN . 1.0 OUTLIER -68.02 -30.54 48.49 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.164 0 CA-C-O 120.944 0.402 . . . . 75.42 110.118 -177.684 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -71.6 -42.69 67.41 Favored 'General case' 0 N--CA 1.452 -0.358 0 N-CA-C 109.09 -0.707 . . . . 60.32 109.09 175.092 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 74.3 mmm -54.62 -41.5 70.06 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.179 -0.919 . . . . 63.05 110.412 175.847 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.76 ' HB3' HD13 ' A' ' 76' ' ' LEU . 1.2 mt -64.18 -35.76 81.83 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.764 -0.653 . . . . 62.52 111.757 -178.934 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 22.1 m-80 -68.23 -24.81 64.96 Favored 'General case' 0 CA--C 1.516 -0.348 0 CA-C-O 121.451 0.643 . . . . 71.31 110.094 -177.909 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 23.9 mm-40 -79.78 -26.26 40.68 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.244 -0.889 . . . . 63.04 110.542 178.402 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 88.7 mt -88.44 -60.35 1.98 Allowed 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.838 -0.619 . . . . 74.3 111.325 -179.52 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 4.8 tpt180 -144.88 123.09 12.19 Favored 'General case' 0 N--CA 1.443 -0.776 0 CA-C-N 116.411 -0.358 . . . . 61.03 110.413 -172.27 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 7.6 p-80 -84.83 173.22 10.8 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 110.055 -0.35 . . . . 75.42 110.055 176.512 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 81.66 29.94 37.68 Favored Glycine 0 N--CA 1.444 -0.767 0 C-N-CA 120.276 -0.964 . . . . 42.13 110.812 -174.375 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.872 ' H ' HD23 ' A' ' 76' ' ' LEU . 1.6 pt? -97.71 92.04 5.68 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.454 0.645 . . . . 73.3 110.19 -178.753 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 77' ' ' ILE . . . . . 0.447 ' O ' ' HA ' ' A' ' 96' ' ' VAL . 4.5 mp -89.39 114.43 27.39 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.681 0 CA-C-N 116.104 -0.498 . . . . 74.54 110.722 -177.406 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 78' ' ' TYR . . . . . 0.461 ' CD1' ' HB ' ' A' ' 96' ' ' VAL . 93.3 m-85 -91.53 123.54 35.02 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.028 -0.533 . . . . 71.22 109.936 175.54 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 13.6 ptpt -133.47 138.75 46.31 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-O 120.906 0.384 . . . . 73.11 110.449 179.382 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 41.2 tp -79.3 104.22 9.77 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 109.198 -0.667 . . . . 74.44 109.198 176.068 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -92.23 -28.35 17.07 Favored 'General case' 0 C--N 1.325 -0.467 0 C-N-CA 120.507 -0.477 . . . . 71.51 111.483 -175.952 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 50.1 m -151.95 157.93 42.44 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 120.754 0.312 . . . . 75.22 110.914 -178.815 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -150.75 112.64 4.52 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 109.064 -0.717 . . . . 74.4 109.064 179.51 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 84' ' ' THR . . . . . 0.488 ' O ' ' HB3' ' A' ' 91' ' ' LEU . 40.9 p -141.68 151.49 43.06 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.37 -0.377 . . . . 72.21 110.688 -175.132 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 138.92 -171.21 23.7 Favored Glycine 0 N--CA 1.449 -0.473 0 C-N-CA 120.085 -1.055 . . . . 75.33 112.944 173.381 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -73.77 169.23 22.86 Favored 'Trans proline' 0 N--CA 1.465 -0.187 0 C-N-CA 123.103 2.536 . . . . 71.15 112.094 179.048 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 10.0 p -81.4 -25.17 10.17 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-N 116.609 -0.269 . . . . 71.53 110.817 -179.134 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 41.1 p-80 -76.64 -35.26 58.12 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-O 120.8 0.334 . . . . 74.35 110.756 -179.425 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 89' ' ' ALA . . . . . 0.416 ' HB1' ' HD2' ' A' ' 108' ' ' ARG . . . -147.45 70.85 11.75 Favored Pre-proline 0 C--N 1.325 -0.46 0 CA-C-N 116.297 -0.41 . . . . 74.14 110.673 -179.355 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 33.4 Cg_endo -67.27 146.23 74.9 Favored 'Trans proline' 0 N--CA 1.458 -0.577 0 C-N-CA 122.304 2.003 . . . . 62.24 112.021 -177.56 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.488 ' HB3' ' O ' ' A' ' 84' ' ' THR . 17.7 tp -98.19 134.07 41.75 Favored 'General case' 0 C--N 1.316 -0.864 0 CA-C-O 121.295 0.569 . . . . 41.44 110.149 -179.03 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.581 ' O ' ' HA ' ' A' ' 106' ' ' GLN . 15.0 m-85 -112.82 140.0 47.98 Favored 'General case' 0 C--N 1.312 -1.048 0 CA-C-N 115.491 -0.777 . . . . 74.23 109.05 -178.918 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 93' ' ' THR . . . . . 0.475 HG22 HD11 ' A' ' 104' ' ' LEU . 15.5 m -118.66 98.99 6.51 Favored 'General case' 0 N--CA 1.444 -0.764 0 CA-C-O 121.225 0.536 . . . . 74.22 110.372 -175.468 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 6.4 mm -97.32 126.05 50.24 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.722 0 CA-C-N 115.244 -0.889 . . . . 75.12 109.928 -179.765 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 95' ' ' SER . . . . . 0.541 ' HB2' ' HD3' ' A' ' 102' ' ' LYS . 0.3 OUTLIER -101.4 128.11 47.74 Favored 'General case' 0 C--N 1.313 -1.008 0 CA-C-N 115.951 -0.568 . . . . 33.53 109.845 174.664 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.513 HG12 ' HB1' ' A' ' 117' ' ' ALA . 7.5 p -118.97 124.68 73.59 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.869 0 CA-C-O 121.363 0.601 . . . . 72.23 109.966 177.651 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 24.2 tt0 -97.66 118.79 34.97 Favored 'General case' 0 C--N 1.311 -1.077 0 CA-C-N 115.634 -0.712 . . . . 74.42 109.346 177.909 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 15.5 t -121.63 116.02 48.23 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.671 0 CA-C-N 115.915 -0.584 . . . . 71.24 110.079 -177.288 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 21.7 t70 60.51 4.42 0.71 Allowed 'General case' 0 N--CA 1.469 0.501 0 CA-C-N 115.11 -0.95 . . . . 74.4 112.274 -176.659 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 122.35 -22.27 7.5 Favored Glycine 0 N--CA 1.447 -0.608 0 C-N-CA 120.894 -0.669 . . . . 71.34 112.044 -177.235 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 101' ' ' GLN . . . . . 0.502 ' HB3' ' CE1' ' A' ' 103' ' ' TYR . 9.7 tp60 -80.86 131.05 35.34 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 109.211 -0.662 . . . . 51.34 109.211 178.109 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 102' ' ' LYS . . . . . 0.541 ' HD3' ' HB2' ' A' ' 95' ' ' SER . 0.6 OUTLIER -100.63 112.13 24.47 Favored 'General case' 0 C--N 1.321 -0.667 0 C-N-CA 120.526 -0.47 . . . . 44.41 110.135 -178.098 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 103' ' ' TYR . . . . . 0.502 ' CE1' ' HB3' ' A' ' 101' ' ' GLN . 62.8 m-85 -101.04 158.32 16.1 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.66 -0.7 . . . . 75.25 109.695 179.688 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.475 HD11 HG22 ' A' ' 93' ' ' THR . 12.2 tp -123.21 147.61 46.7 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 120.891 0.377 . . . . 61.55 110.801 -178.111 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 105' ' ' GLY . . . . . 0.527 ' HA3' ' N ' ' A' ' 117' ' ' ALA . . . -144.48 132.93 5.0 Favored Glycine 0 N--CA 1.445 -0.702 0 C-N-CA 121.087 -0.577 . . . . 61.4 111.748 176.212 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 106' ' ' GLN . . . . . 0.581 ' HA ' ' O ' ' A' ' 92' ' ' PHE . 29.9 mt-30 -123.01 118.05 26.88 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.004 0.43 . . . . 73.23 110.955 -176.408 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -132.81 -174.99 13.78 Favored Glycine 0 C--O 1.223 -0.57 0 N-CA-C 111.674 -0.57 . . . . 63.15 111.674 -178.934 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 108' ' ' ARG . . . . . 0.416 ' HD2' ' HB1' ' A' ' 89' ' ' ALA . 23.9 mmt180 -89.33 6.07 42.17 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 117.206 0.503 . . . . 75.44 111.333 -176.947 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 74.0 m -164.76 169.3 16.93 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 108.762 -0.829 . . . . 73.3 108.762 179.482 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 93.8 mttt -60.08 -38.54 83.19 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 121.38 0.61 . . . . 73.53 109.804 178.899 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 33.7 tttp -59.63 -54.44 46.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.024 -0.989 . . . . 72.34 111.17 177.688 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 39.5 t -65.69 -42.92 93.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 115.809 -0.632 . . . . 75.34 110.875 -176.225 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -62.31 -39.38 92.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.243 -0.435 . . . . 44.45 111.065 -179.008 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 44.2 ttt180 -61.49 -41.34 97.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.772 -0.649 . . . . 62.42 110.063 178.202 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 115' ' ' ILE . . . . . 0.447 HG12 ' HB2' ' A' ' 64' ' ' ASN . 87.1 mt -67.02 -49.41 73.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 115.694 -0.684 . . . . 70.43 111.133 177.215 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -57.36 -35.12 69.54 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.767 0.318 . . . . 72.13 111.207 178.575 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 117' ' ' ALA . . . . . 0.527 ' N ' ' HA3' ' A' ' 105' ' ' GLY . . . -65.17 -46.37 81.1 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.126 0.489 . . . . 51.21 110.775 177.788 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 118' ' ' ALA . . . . . 0.536 ' O ' ' HG ' ' A' ' 122' ' ' LEU . . . -67.98 -29.79 68.9 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.783 -0.644 . . . . 42.31 111.287 -179.604 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -60.82 -42.19 97.2 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.111 0.481 . . . . 73.42 110.38 178.124 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 120' ' ' THR . . . . . 0.437 ' O ' ' HG2' ' A' ' 123' ' ' ARG . 18.7 m -63.63 -42.52 98.16 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.585 -0.734 . . . . 74.54 110.248 177.479 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -61.72 -48.92 78.58 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.731 -0.668 . . . . 54.52 111.058 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 122' ' ' LEU . . . . . 0.536 ' HG ' ' O ' ' A' ' 118' ' ' ALA . 55.9 mt -54.58 -48.81 71.65 Favored 'General case' 0 N--CA 1.462 0.142 0 CA-C-N 116.42 -0.355 . . . . 71.0 111.35 -177.829 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 123' ' ' ARG . . . . . 0.437 ' HG2' ' O ' ' A' ' 120' ' ' THR . 37.0 ptt180 -70.66 -14.48 62.48 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.241 -0.436 . . . . 64.31 111.118 -175.746 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 29.9 t -81.31 -26.41 35.69 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.282 -0.417 . . . . 62.23 110.299 175.868 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 78.6 m-85 -87.38 -55.41 3.81 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.742 0.305 . . . . 71.32 110.342 177.836 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 126' ' ' ILE . . . . . 0.477 HD13 ' H ' ' A' ' 126' ' ' ILE . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.326 0 CA-C-N 116.16 -0.473 . . . . 74.32 110.148 -179.518 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 64' ' ' ASN . . . . . 0.568 HD21 ' N ' ' A' ' 64' ' ' ASN . 0.0 OUTLIER . . . . . 0 CA--C 1.518 -0.265 0 CA-C-O 121.825 0.821 . . . . 62.13 111.307 . . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 39.2 p -69.23 -21.15 63.95 Favored 'General case' 0 C--N 1.315 -0.929 0 CA-C-N 114.527 -1.215 . . . . 64.42 110.811 -178.861 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 50.0 t -59.85 -44.05 93.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 115.296 -0.865 . . . . 73.03 110.283 177.305 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.575 ' O ' ' HG2' ' A' ' 71' ' ' GLU . . . -65.99 -40.47 91.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.044 -0.525 . . . . 63.1 110.149 176.174 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 68' ' ' MET . . . . . 0.404 ' HB2' HD11 ' A' ' 122' ' ' LEU . 80.0 mmm -57.9 -42.17 84.14 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.666 -0.697 . . . . 71.11 111.382 178.622 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.853 ' HB3' HD13 ' A' ' 76' ' ' LEU . 1.2 mt -62.17 -35.92 80.29 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.279 -0.419 . . . . 71.23 110.993 -179.78 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 70' ' ' ASN . . . . . 0.404 ' ND2' HD11 ' A' ' 76' ' ' LEU . 25.3 m-80 -67.39 -24.27 65.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.127 0.489 . . . . 72.43 110.466 178.838 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.575 ' HG2' ' O ' ' A' ' 67' ' ' ALA . 4.2 mm-40 -80.18 -22.71 41.63 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.686 -0.688 . . . . 44.31 110.504 178.806 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 72.6 mt -99.38 -67.14 0.86 Allowed 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.939 -0.573 . . . . 70.03 112.075 -176.294 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 1.1 tpp180 -132.46 125.44 30.71 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.583 -0.281 . . . . 75.23 110.994 -170.172 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 20.0 p-80 -77.99 167.36 21.6 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.309 -0.405 . . . . 71.54 110.16 174.817 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 82.88 36.03 16.95 Favored Glycine 0 N--CA 1.445 -0.739 0 C-N-CA 120.238 -0.982 . . . . 70.43 110.99 -178.08 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.853 HD13 ' HB3' ' A' ' 69' ' ' LEU . 1.2 pt? -100.76 100.82 11.55 Favored 'General case' 0 N--CA 1.45 -0.432 0 CA-C-O 121.323 0.582 . . . . 74.1 110.072 179.023 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 77' ' ' ILE . . . . . 0.518 ' O ' ' HA ' ' A' ' 96' ' ' VAL . 4.8 mp -102.96 115.35 44.77 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 CA-C-N 115.879 -0.601 . . . . 73.32 110.552 -178.797 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 78' ' ' TYR . . . . . 0.417 ' CE2' HD12 ' A' ' 76' ' ' LEU . 86.9 m-85 -94.65 124.43 38.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.283 -0.417 . . . . 75.41 110.101 177.421 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 17.7 ptpt -135.72 143.29 45.28 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 116.293 -0.412 . . . . 75.2 110.611 179.015 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 49.3 tp -84.26 106.0 15.54 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 109.229 -0.656 . . . . 65.52 109.229 177.673 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -89.14 -29.7 19.15 Favored 'General case' 0 C--N 1.325 -0.494 0 C-N-CA 120.294 -0.562 . . . . 75.31 111.666 -175.865 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 57.7 m -153.5 146.66 24.66 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.89 0.376 . . . . 54.51 110.981 178.739 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 22.1 tm0? -143.57 116.62 8.89 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 109.279 -0.637 . . . . 71.34 109.279 176.976 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 23.3 p -142.37 144.7 33.27 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.4 -0.364 . . . . 61.21 110.852 -177.301 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 135.58 179.96 17.13 Favored Glycine 0 N--CA 1.448 -0.51 0 C-N-CA 120.043 -1.075 . . . . 61.54 113.389 173.361 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 58.7 Cg_endo -71.58 -176.95 2.2 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 123.565 2.843 . . . . 65.51 112.466 -179.455 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 33.8 m -93.66 -20.81 6.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-O 120.76 0.314 . . . . 73.34 111.005 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 35.2 p-80 -81.74 -23.01 36.95 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.354 -0.384 . . . . 55.44 110.25 178.812 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -158.89 76.35 3.29 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-N 116.156 -0.475 . . . . 74.44 110.769 178.767 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 90' ' ' PRO . . . . . 0.634 ' O ' ' HA ' ' A' ' 108' ' ' ARG . 5.8 Cg_exo -75.67 155.03 39.8 Favored 'Trans proline' 0 N--CA 1.458 -0.587 0 C-N-CA 122.482 2.121 . . . . 61.42 111.595 179.884 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.489 HD21 ' HB3' ' A' ' 106' ' ' GLN . 3.2 tm? -109.63 116.43 31.72 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-O 121.456 0.646 . . . . 72.02 109.723 176.226 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.428 ' O ' ' HA ' ' A' ' 106' ' ' GLN . 48.2 m-85 -103.04 134.5 46.38 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 115.065 -0.97 . . . . 74.5 109.317 177.631 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 18.6 m -118.19 101.63 8.37 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-O 121.023 0.439 . . . . 74.23 110.032 -179.263 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 94' ' ' ILE . . . . . 0.472 HG21 ' HA ' ' A' ' 114' ' ' ARG . 7.4 mm -99.29 129.2 50.12 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.755 0 CA-C-N 115.685 -0.689 . . . . 74.04 109.788 -179.52 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 95' ' ' SER . . . . . 0.556 ' HB2' ' HD3' ' A' ' 102' ' ' LYS . 1.7 p -108.07 131.55 54.48 Favored 'General case' 0 C--N 1.312 -1.046 0 CA-C-N 116.126 -0.488 . . . . 74.44 110.143 175.959 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.612 HG12 ' HB1' ' A' ' 117' ' ' ALA . 7.9 p -123.68 124.12 68.68 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.897 0 CA-C-O 121.273 0.559 . . . . 62.42 109.73 176.202 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 14.0 tt0 -97.98 108.22 20.87 Favored 'General case' 0 N--CA 1.437 -1.088 0 N-CA-C 109.311 -0.625 . . . . 72.1 109.311 179.228 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 98' ' ' VAL . . . . . 0.55 ' C ' ' H ' ' A' ' 100' ' ' GLY . 21.3 t -112.42 125.01 69.65 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.001 0 CA-C-N 115.538 -0.755 . . . . 61.34 109.78 -175.596 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 14.0 t70 69.49 -31.19 0.2 Allowed 'General case' 0 N--CA 1.472 0.657 0 O-C-N 123.992 0.807 . . . . 63.44 111.567 -174.805 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 100' ' ' GLY . . . . . 0.55 ' H ' ' C ' ' A' ' 98' ' ' VAL . . . 146.68 -12.13 1.51 Allowed Glycine 0 C--N 1.304 -1.201 0 N-CA-C 110.871 -0.892 . . . . 73.42 110.871 -175.275 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 101' ' ' GLN . . . . . 0.508 ' HB3' ' CE1' ' A' ' 103' ' ' TYR . 13.5 tp60 -87.89 133.45 33.91 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 109.005 -0.739 . . . . 73.04 109.005 176.566 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 102' ' ' LYS . . . . . 0.556 ' HD3' ' HB2' ' A' ' 95' ' ' SER . 0.5 OUTLIER -96.5 109.65 22.18 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 121.101 0.477 . . . . 61.04 110.241 -178.179 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 103' ' ' TYR . . . . . 0.508 ' CE1' ' HB3' ' A' ' 101' ' ' GLN . 76.2 m-85 -97.11 156.65 16.29 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.647 -0.706 . . . . 74.01 109.564 -179.629 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 12.0 tp -124.81 141.93 51.78 Favored 'General case' 0 C--N 1.321 -0.632 0 C-N-CA 120.847 -0.341 . . . . 74.22 111.003 -176.294 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 105' ' ' GLY . . . . . 0.445 ' HA3' ' N ' ' A' ' 117' ' ' ALA . . . -135.43 130.49 5.42 Favored Glycine 0 N--CA 1.444 -0.803 0 N-CA-C 111.279 -0.729 . . . . 54.33 111.279 175.881 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 106' ' ' GLN . . . . . 0.489 ' HB3' HD21 ' A' ' 91' ' ' LEU . 30.5 mt-30 -121.77 123.85 42.8 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-O 120.811 0.339 . . . . 71.45 110.423 -176.858 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -145.86 -179.5 22.13 Favored Glycine 0 N--CA 1.448 -0.564 0 C-N-CA 120.956 -0.64 . . . . 65.22 112.062 -177.977 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 108' ' ' ARG . . . . . 0.634 ' HA ' ' O ' ' A' ' 90' ' ' PRO . 25.2 mmt180 -83.91 -3.38 57.89 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.748 0.309 . . . . 71.25 111.709 -177.848 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 109' ' ' SER . . . . . 0.472 ' HB2' HG23 ' A' ' 112' ' ' VAL . 16.0 m -151.32 164.21 37.17 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 109.029 -0.73 . . . . 61.13 109.029 -178.244 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -59.66 -37.34 78.45 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.845 0.355 . . . . 74.23 110.334 179.203 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 79.7 tttt -66.75 -51.47 55.52 Favored 'General case' 0 N--CA 1.452 -0.335 0 CA-C-N 115.935 -0.575 . . . . 63.52 110.684 179.872 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 112' ' ' VAL . . . . . 0.472 HG23 ' HB2' ' A' ' 109' ' ' SER . 21.8 t -55.64 -51.26 60.5 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 CA-C-N 116.131 -0.486 . . . . 73.12 110.321 179.599 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -60.35 -38.73 84.75 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.779 -0.646 . . . . 51.01 111.235 -178.718 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 114' ' ' ARG . . . . . 0.472 ' HA ' HG21 ' A' ' 94' ' ' ILE . 17.7 ttm180 -63.43 -45.81 89.21 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.014 -0.539 . . . . 71.2 110.443 178.845 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 71.7 mt -62.76 -46.54 96.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-N 115.742 -0.663 . . . . 75.32 111.402 176.94 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -59.58 -37.93 79.82 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.824 0.345 . . . . 54.42 111.429 178.684 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 117' ' ' ALA . . . . . 0.612 ' HB1' HG12 ' A' ' 96' ' ' VAL . . . -62.62 -47.16 84.97 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.044 0.449 . . . . 41.44 110.733 176.858 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 118' ' ' ALA . . . . . 0.499 ' O ' ' HG ' ' A' ' 122' ' ' LEU . . . -66.45 -33.52 75.88 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.587 -0.733 . . . . 51.25 111.098 179.65 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -61.68 -42.11 98.48 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.296 -0.411 . . . . 53.33 110.882 179.386 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 120' ' ' THR . . . . . 0.936 ' HA ' ' HE ' ' A' ' 123' ' ' ARG . 62.7 m -66.94 -35.3 79.67 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.106 -0.497 . . . . 64.15 110.6 178.111 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -63.9 -45.83 87.55 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.149 -0.478 . . . . 74.34 110.467 176.48 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 122' ' ' LEU . . . . . 0.499 ' HG ' ' O ' ' A' ' 118' ' ' ALA . 62.4 mt -58.23 -51.72 68.56 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-N 116.33 -0.395 . . . . 51.5 111.253 -179.902 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 123' ' ' ARG . . . . . 0.936 ' HE ' ' HA ' ' A' ' 120' ' ' THR . 20.0 ptt180 -70.26 -9.43 55.9 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.207 -0.451 . . . . 71.12 111.595 -176.568 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 13.2 t -82.15 -28.82 31.94 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 109.252 -0.648 . . . . 74.43 109.252 174.255 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 29.6 m-85 -84.44 -55.17 4.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.722 -0.672 . . . . 73.43 110.073 179.731 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 126' ' ' ILE . . . . . 0.502 HD13 ' H ' ' A' ' 126' ' ' ILE . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.468 0 CA-C-O 121.258 0.551 . . . . 74.21 110.653 -179.862 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 64' ' ' ASN . . . . . 0.618 HD21 ' N ' ' A' ' 64' ' ' ASN . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.375 0 CA-C-O 121.793 0.806 . . . . 72.12 110.672 . . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 65' ' ' THR . . . . . 0.415 ' OG1' ' HB3' ' A' ' 118' ' ' ALA . 36.0 p -63.07 -21.81 66.42 Favored 'General case' 0 C--N 1.316 -0.855 0 CA-C-N 114.522 -1.217 . . . . 61.32 111.1 -179.125 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 48.3 t -61.86 -44.03 98.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 115.33 -0.85 . . . . 63.11 110.888 178.644 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -66.55 -38.99 88.32 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.203 0.525 . . . . 53.13 109.961 177.582 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 78.4 mmm -59.19 -42.46 90.92 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.336 -0.847 . . . . 72.41 110.662 178.35 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.733 ' HB3' HD13 ' A' ' 76' ' ' LEU . 3.2 mt -62.39 -36.95 83.91 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.768 -0.651 . . . . 71.31 111.384 179.179 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 25.5 m-80 -67.31 -21.63 65.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.33 -0.395 . . . . 62.42 110.999 -179.619 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 27.4 mt-10 -81.93 -27.09 33.52 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.867 0.365 . . . . 62.33 110.607 176.835 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 98.3 mt -87.01 -55.89 3.62 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.195 -0.457 . . . . 71.24 111.433 -176.734 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 30.7 mmt180 -137.39 177.38 7.91 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.96 0.41 . . . . 74.4 111.032 -175.579 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 29.0 p-80 -126.8 169.95 12.69 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.78 -0.645 . . . . 73.1 109.492 175.713 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 79.9 20.43 68.0 Favored Glycine 0 N--CA 1.449 -0.483 0 C-N-CA 120.791 -0.719 . . . . 75.23 111.902 -179.855 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.909 ' H ' HD23 ' A' ' 76' ' ' LEU . 0.9 OUTLIER -78.92 95.42 5.44 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.353 0.597 . . . . 71.3 110.596 -179.216 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 77' ' ' ILE . . . . . 0.58 ' O ' ' HA ' ' A' ' 96' ' ' VAL . 4.7 mt -88.14 111.83 22.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 115.702 -0.681 . . . . 75.35 111.138 -178.261 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 78' ' ' TYR . . . . . 0.464 ' CE2' HD12 ' A' ' 76' ' ' LEU . 97.1 m-85 -91.96 116.0 28.55 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 109.842 -0.429 . . . . 71.34 109.842 173.527 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 27.2 pttt -132.79 142.49 49.02 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 115.974 -0.557 . . . . 70.31 110.291 -179.066 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.525 HD22 ' HE2' ' A' ' 110' ' ' LYS . 36.9 tp -83.52 104.63 13.81 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 109.419 -0.586 . . . . 61.44 109.419 177.787 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -88.21 -36.78 16.59 Favored 'General case' 0 C--N 1.321 -0.643 0 C-N-CA 120.414 -0.514 . . . . 53.14 111.163 -176.762 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 82' ' ' SER . . . . . 0.514 ' HB2' ' HB ' ' A' ' 93' ' ' THR . 19.4 m -139.26 152.09 47.01 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.394 -0.366 . . . . 71.32 110.865 -175.568 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 19.1 tm0? -157.06 125.75 5.77 Favored 'General case' 0 C--O 1.235 0.295 0 N-CA-C 110.072 -0.344 . . . . 71.33 110.072 179.162 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 3.3 p -150.03 -163.93 1.9 Allowed 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.905 -0.589 . . . . 62.14 109.903 178.896 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 105.45 174.67 24.11 Favored Glycine 0 N--CA 1.453 -0.197 0 C-N-CA 120.653 -0.784 . . . . 60.25 113.385 170.422 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo -70.98 173.64 11.76 Favored 'Trans proline' 0 C--N 1.345 0.358 0 C-N-CA 123.318 2.679 . . . . 74.54 112.024 178.182 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 33.8 m -85.48 -19.78 8.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 C-N-CA 120.878 -0.329 . . . . 63.44 111.558 -178.824 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 39.5 p-80 -80.88 -29.26 35.72 Favored 'General case' 0 C--N 1.331 -0.234 0 C-N-CA 120.884 -0.327 . . . . 62.32 110.257 178.014 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 89' ' ' ALA . . . . . 0.5 ' HB1' ' HD2' ' A' ' 108' ' ' ARG . . . -156.61 77.82 4.13 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 116.441 -0.345 . . . . 72.52 110.634 -179.151 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 90' ' ' PRO . . . . . 0.607 ' O ' ' HA ' ' A' ' 108' ' ' ARG . 3.3 Cg_exo -70.49 160.28 50.04 Favored 'Trans proline' 0 N--CA 1.455 -0.778 0 C-N-CA 121.866 1.71 . . . . 71.31 111.938 -178.271 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.482 HD21 ' HB3' ' A' ' 106' ' ' GLN . 3.2 tm? -106.01 118.28 36.2 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-N 115.891 -0.595 . . . . 50.33 109.628 -179.631 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 52.7 m-85 -105.67 137.11 44.07 Favored 'General case' 0 C--N 1.315 -0.893 0 CA-C-N 115.417 -0.81 . . . . 72.33 109.454 179.0 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 93' ' ' THR . . . . . 0.514 ' HB ' ' HB2' ' A' ' 82' ' ' SER . 18.5 m -119.81 99.89 6.91 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 121.189 0.518 . . . . 73.41 110.164 -177.653 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 94' ' ' ILE . . . . . 0.559 HG21 ' HA ' ' A' ' 114' ' ' ARG . 5.3 mm -96.23 130.42 44.93 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.739 0 CA-C-N 115.413 -0.812 . . . . 72.23 109.816 179.609 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 95' ' ' SER . . . . . 0.629 ' HB2' ' HD3' ' A' ' 102' ' ' LYS . 2.6 p -107.28 133.69 51.46 Favored 'General case' 0 C--N 1.312 -1.044 0 CA-C-N 115.908 -0.587 . . . . 41.52 109.531 175.646 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.58 ' HA ' ' O ' ' A' ' 77' ' ' ILE . 7.2 p -120.48 125.16 73.83 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.816 0 CA-C-O 121.368 0.604 . . . . 72.35 109.794 178.217 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 21.4 tt0 -99.8 115.57 29.86 Favored 'General case' 0 C--N 1.311 -1.077 0 CA-C-N 115.541 -0.754 . . . . 70.32 109.585 -178.84 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 21.9 t -132.59 121.48 45.22 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.841 0 CA-C-N 116.039 -0.528 . . . . 72.21 110.342 -175.854 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 34.1 t70 61.69 14.44 6.1 Favored 'General case' 0 N--CA 1.469 0.514 0 CA-C-O 121.524 0.678 . . . . 72.11 111.031 179.311 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 103.7 -12.65 53.7 Favored Glycine 0 N--CA 1.449 -0.496 0 C-N-CA 120.735 -0.745 . . . . 62.32 112.144 -178.545 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 13.0 mm100 -90.79 131.23 36.57 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.914 0.387 . . . . 74.21 110.554 178.838 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 102' ' ' LYS . . . . . 0.629 ' HD3' ' HB2' ' A' ' 95' ' ' SER . 0.7 OUTLIER -101.41 105.04 16.02 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-N 115.868 -0.606 . . . . 72.02 110.135 -178.108 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 72.3 m-85 -95.42 156.89 16.13 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.559 -0.746 . . . . 74.13 110.006 -178.544 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.404 HD11 HG22 ' A' ' 93' ' ' THR . 11.4 tp -124.51 142.67 51.16 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.039 0.447 . . . . 73.44 111.44 -175.921 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 105' ' ' GLY . . . . . 0.501 ' HA3' ' N ' ' A' ' 117' ' ' ALA . . . -138.21 130.88 5.17 Favored Glycine 0 N--CA 1.447 -0.615 0 CA-C-N 115.835 -0.62 . . . . 44.05 111.648 175.825 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 106' ' ' GLN . . . . . 0.482 ' HB3' HD21 ' A' ' 91' ' ' LEU . 10.9 mt-30 -115.64 130.78 56.99 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 120.812 0.339 . . . . 74.22 110.927 -178.374 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -150.63 177.03 28.94 Favored Glycine 0 N--CA 1.449 -0.469 0 C-N-CA 121.02 -0.61 . . . . 72.41 111.985 -178.199 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 108' ' ' ARG . . . . . 0.607 ' HA ' ' O ' ' A' ' 90' ' ' PRO . 31.6 mmt180 -88.48 6.44 37.71 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.954 0.407 . . . . 53.33 111.494 -177.492 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 50.9 m -160.21 164.56 32.7 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 108.707 -0.849 . . . . 71.53 108.707 177.821 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 110' ' ' LYS . . . . . 0.525 ' HE2' HD22 ' A' ' 80' ' ' LEU . 94.8 mttt -62.08 -30.97 71.37 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 121.284 0.564 . . . . 64.42 109.826 178.18 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 69.3 tttt -60.89 -55.8 28.74 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.2 -0.909 . . . . 71.24 110.881 176.796 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 112' ' ' VAL . . . . . 0.495 ' O ' ' HG2' ' A' ' 116' ' ' GLU . 21.4 t -61.6 -49.21 85.3 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 115.903 -0.589 . . . . 61.52 110.476 -177.651 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -58.95 -36.63 75.12 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.696 -0.684 . . . . 65.11 111.836 -175.962 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 114' ' ' ARG . . . . . 0.559 ' HA ' HG21 ' A' ' 94' ' ' ILE . 18.0 ttm180 -63.42 -45.3 91.6 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 121.047 0.451 . . . . 72.21 110.389 178.488 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 61.6 mt -65.94 -45.71 90.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.032 -0.531 . . . . 72.53 110.98 178.205 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 116' ' ' GLU . . . . . 0.495 ' HG2' ' O ' ' A' ' 112' ' ' VAL . 39.0 mm-40 -58.88 -36.87 75.36 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.493 -0.321 . . . . 75.32 111.597 178.366 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 117' ' ' ALA . . . . . 0.501 ' N ' ' HA3' ' A' ' 105' ' ' GLY . . . -63.81 -46.72 83.84 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.01 0.433 . . . . 72.32 110.75 177.928 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 118' ' ' ALA . . . . . 0.494 ' O ' ' HG ' ' A' ' 122' ' ' LEU . . . -66.4 -30.17 70.48 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.765 -0.652 . . . . 74.22 111.103 -179.837 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -59.76 -46.34 89.47 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.289 -0.414 . . . . 51.43 110.79 176.653 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 120' ' ' THR . . . . . 0.473 ' O ' ' HG2' ' A' ' 123' ' ' ARG . 37.2 m -61.35 -38.83 88.35 Favored 'General case' 0 C--O 1.234 0.237 0 CA-C-O 121.296 0.57 . . . . 74.21 110.548 176.876 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -62.39 -51.39 67.78 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.793 -0.639 . . . . 73.1 110.915 179.179 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 122' ' ' LEU . . . . . 0.494 ' HG ' ' O ' ' A' ' 118' ' ' ALA . 58.7 mt -53.73 -47.65 70.39 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.299 -0.41 . . . . 73.53 111.618 -177.526 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 123' ' ' ARG . . . . . 0.473 ' HG2' ' O ' ' A' ' 120' ' ' THR . 4.9 ptp180 -68.41 -19.87 64.63 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.759 0.314 . . . . 73.25 111.401 -175.946 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 26.2 t -78.68 -24.31 45.14 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.652 0.263 . . . . 71.52 110.375 176.465 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 82.3 m-85 -85.96 -55.87 3.74 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 109.828 -0.434 . . . . 60.12 109.828 176.085 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 126' ' ' ILE . . . . . 0.444 HD13 ' H ' ' A' ' 126' ' ' ILE . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.464 0 CA-C-O 121.175 0.512 . . . . 64.2 110.629 178.532 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 6.8 m . . . . . 0 N--CA 1.476 0.872 0 N-CA-C 110.236 -0.283 . . . . 72.43 110.236 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.623 ' HB3' ' HE2' ' A' ' 51' ' ' LYS . 62.3 m-20 65.67 90.55 0.09 OUTLIER Pre-proline 0 C--O 1.235 0.302 0 CA-C-N 116.019 -0.537 . . . . 63.21 110.957 179.851 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 57.6 Cg_endo -76.63 94.73 1.04 Allowed 'Trans proline' 0 N--CA 1.459 -0.531 0 C-N-CA 122.344 2.03 . . . . 65.42 111.248 175.293 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.623 ' HE2' ' HB3' ' A' ' 49' ' ' ASP . 73.1 mmtt -82.37 99.39 9.36 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.265 0.555 . . . . 53.23 111.449 -176.004 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 60.0 tttp -66.71 103.27 1.06 Allowed 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.012 -0.994 . . . . 74.41 109.679 174.889 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 31.9 mtmm -93.41 -23.58 18.36 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 116.07 -0.514 . . . . 72.51 110.82 -175.848 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' MET . . . . . 0.712 ' HG3' ' HG2' ' A' ' 57' ' ' GLU . 39.9 tpp -78.75 115.43 18.44 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.876 -0.602 . . . . 54.11 110.813 -179.607 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 8.0 p -121.24 10.06 10.55 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.932 -0.576 . . . . 70.02 110.787 178.902 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.494 ' HB2' ' SD ' ' A' ' 54' ' ' MET . 13.9 mptt -89.79 -10.98 43.5 Favored 'General case' 0 N--CA 1.462 0.149 0 CA-C-N 116.215 -0.448 . . . . 73.41 110.451 179.358 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.712 ' HG2' ' HG3' ' A' ' 54' ' ' MET . 7.0 pt-20 -82.98 129.6 35.05 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 109.391 -0.596 . . . . 73.32 109.391 175.166 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 12.7 mmt180 -87.97 -44.41 11.03 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 116.003 -0.544 . . . . 73.04 111.386 -170.487 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 40.1 mm 53.95 73.77 0.86 Allowed Pre-proline 0 C--O 1.235 0.335 0 N-CA-C 108.231 -1.025 . . . . 71.5 108.231 -168.627 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 38.6 Cg_exo -60.92 99.91 0.16 Allowed 'Trans proline' 0 C--N 1.344 0.319 0 C-N-CA 123.256 2.637 . . . . 73.02 113.303 -170.219 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 49.1 mt-30 -142.28 86.13 10.27 Favored Pre-proline 0 C--N 1.324 -0.519 0 CA-C-N 115.297 -0.865 . . . . 70.31 109.72 176.852 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 11.5 Cg_exo -72.36 -170.89 0.63 Allowed 'Trans proline' 0 N--CA 1.463 -0.28 0 C-N-CA 122.968 2.446 . . . . 62.54 111.329 174.94 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 61.0 mttm 67.54 22.63 9.16 Favored 'General case' 0 N--CA 1.467 0.42 0 CA-C-O 121.785 0.803 . . . . 61.41 109.721 -177.741 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' ASN . . . . . 0.542 ' ND2' HG22 ' A' ' 66' ' ' VAL . 9.2 p-10 -87.33 145.99 26.11 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 114.608 -1.178 . . . . 64.21 110.913 -178.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 24.1 p -61.16 -28.32 69.04 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 114.856 -1.066 . . . . 74.14 112.468 -175.049 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.542 HG22 ' ND2' ' A' ' 64' ' ' ASN . 1.9 m -65.39 -29.95 48.74 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.148 0 CA-C-O 121.032 0.444 . . . . 75.42 110.283 -177.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.435 ' O ' ' HG2' ' A' ' 71' ' ' GLU . . . -73.26 -39.44 65.42 Favored 'General case' 0 N--CA 1.451 -0.412 0 N-CA-C 109.417 -0.586 . . . . 52.22 109.417 176.851 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 69.0 mmm -57.46 -46.52 83.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.116 -0.947 . . . . 72.22 110.651 176.562 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -59.18 -36.75 75.88 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.925 -0.579 . . . . 63.21 111.436 179.684 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 23.4 m-80 -70.56 -19.99 62.83 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.021 0.438 . . . . 72.25 110.711 -178.347 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.435 ' HG2' ' O ' ' A' ' 67' ' ' ALA . 5.7 mm-40 -84.52 -20.96 30.76 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.899 -0.591 . . . . 74.2 110.412 176.921 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 85.1 mt -90.88 -71.79 0.61 Allowed 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.816 -0.629 . . . . 74.32 111.377 -178.491 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 28.8 mmm180 -128.9 139.35 52.17 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.266 -0.424 . . . . 74.11 110.837 -172.529 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 5.0 p-80 -93.38 172.3 8.37 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 109.407 -0.59 . . . . 71.34 109.407 173.28 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 89.55 10.88 64.88 Favored Glycine 0 N--CA 1.447 -0.631 0 C-N-CA 120.506 -0.854 . . . . 72.31 111.058 -176.868 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.821 ' H ' HD23 ' A' ' 76' ' ' LEU . 2.0 pt? -84.99 117.45 23.98 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.219 0.533 . . . . 74.13 110.356 -178.931 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.579 ' O ' ' HA ' ' A' ' 96' ' ' VAL . 3.8 mp -109.21 110.95 34.0 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 CA-C-N 116.105 -0.498 . . . . 73.15 110.573 179.69 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 78' ' ' TYR . . . . . 0.453 ' CD1' ' HG3' ' A' ' 114' ' ' ARG . 98.8 m-85 -88.46 108.96 19.65 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 109.862 -0.421 . . . . 74.15 109.862 174.132 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 30.8 pttt -127.56 134.9 49.71 Favored 'General case' 0 C--N 1.316 -0.878 0 CA-C-N 116.028 -0.533 . . . . 71.42 110.571 -176.119 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 45.1 tp -78.92 97.48 6.03 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 109.318 -0.623 . . . . 74.21 109.318 178.093 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -78.41 -28.73 46.89 Favored 'General case' 0 C--N 1.325 -0.476 0 C-N-CA 120.606 -0.437 . . . . 72.24 111.328 -174.446 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 49.1 m -152.46 142.82 22.55 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 120.679 0.276 . . . . 70.21 110.342 178.784 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 22.7 tm0? -131.67 124.05 29.05 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 109.445 -0.576 . . . . 73.51 109.445 176.782 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 9.5 p -146.83 -163.51 1.77 Allowed 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.918 -0.583 . . . . 64.1 110.176 -176.718 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 102.3 176.63 27.57 Favored Glycine 0 N--CA 1.449 -0.489 0 C-N-CA 121.078 -0.582 . . . . 40.22 113.086 170.753 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 62.9 Cg_endo -72.4 -173.6 1.18 Allowed 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 123.124 2.549 . . . . 74.02 112.091 175.367 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 14.1 p -95.92 -26.72 4.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-O 121.089 0.471 . . . . 61.31 110.252 178.941 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 43.7 p-80 -76.38 -23.16 54.08 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.02 -0.536 . . . . 65.45 110.352 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.428 ' HB1' ' HD2' ' A' ' 108' ' ' ARG . . . -165.62 75.91 1.3 Allowed Pre-proline 0 C--N 1.331 -0.211 0 CA-C-N 116.189 -0.459 . . . . 64.34 110.458 179.627 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 90' ' ' PRO . . . . . 0.669 ' O ' ' HA ' ' A' ' 108' ' ' ARG . 7.1 Cg_exo -65.39 164.62 25.21 Favored 'Trans proline' 0 N--CA 1.46 -0.496 0 C-N-CA 122.132 1.888 . . . . 62.33 112.168 -176.649 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.415 HD11 ' HB3' ' A' ' 106' ' ' GLN . 2.7 tm? -111.81 114.05 26.78 Favored 'General case' 0 C--N 1.317 -0.806 0 N-CA-C 109.309 -0.626 . . . . 71.41 109.309 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.451 ' O ' ' HA ' ' A' ' 106' ' ' GLN . 25.4 m-85 -103.76 133.22 49.11 Favored 'General case' 0 C--N 1.315 -0.928 0 CA-C-N 115.101 -0.954 . . . . 74.13 109.198 179.327 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 93' ' ' THR . . . . . 0.429 HG22 HD11 ' A' ' 104' ' ' LEU . 37.8 m -115.45 101.07 8.56 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-O 121.214 0.531 . . . . 64.04 110.291 -177.471 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 0.484 HG21 ' HA ' ' A' ' 114' ' ' ARG . 6.5 mm -97.35 128.74 48.34 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.717 0 CA-C-N 115.409 -0.814 . . . . 72.24 110.1 -179.726 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 95' ' ' SER . . . . . 0.579 ' CB ' ' HD3' ' A' ' 102' ' ' LYS . 2.3 p -109.79 122.7 48.1 Favored 'General case' 0 C--N 1.311 -1.095 0 CA-C-N 115.717 -0.674 . . . . 60.35 110.034 177.081 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.579 ' HA ' ' O ' ' A' ' 77' ' ' ILE . 11.8 p -110.73 124.17 67.28 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.846 0 CA-C-O 121.368 0.604 . . . . 55.24 109.71 174.263 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 22.2 tt0 -100.57 116.69 33.08 Favored 'General case' 0 C--N 1.314 -0.969 0 CA-C-N 115.799 -0.637 . . . . 74.02 109.47 179.743 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 17.9 t -130.87 122.5 52.29 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.7 0 CA-C-N 116.027 -0.533 . . . . 72.31 110.301 -177.163 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 55.43 25.3 7.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.233 -0.894 . . . . 72.42 112.309 178.538 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 96.31 -4.98 65.03 Favored Glycine 0 N--CA 1.449 -0.465 0 C-N-CA 120.803 -0.713 . . . . 34.42 112.925 177.83 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 9.3 mm100 -106.27 124.95 50.38 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-O 121.075 0.464 . . . . 62.22 110.641 177.438 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 102' ' ' LYS . . . . . 0.579 ' HD3' ' CB ' ' A' ' 95' ' ' SER . 3.2 tmmm? -92.58 114.03 26.46 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 115.58 -0.736 . . . . 64.55 109.618 -179.606 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 59.6 m-85 -100.3 134.38 43.31 Favored 'General case' 0 C--N 1.316 -0.886 0 CA-C-N 115.655 -0.702 . . . . 74.34 109.16 177.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.429 HD11 HG22 ' A' ' 93' ' ' THR . 13.2 tp -109.01 140.34 42.66 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 120.803 0.335 . . . . 55.1 111.005 -173.362 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 105' ' ' GLY . . . . . 0.41 ' HA3' ' N ' ' A' ' 117' ' ' ALA . . . -135.38 130.24 5.34 Favored Glycine 0 N--CA 1.445 -0.748 0 N-CA-C 111.281 -0.728 . . . . 71.05 111.281 177.091 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 106' ' ' GLN . . . . . 0.451 ' HA ' ' O ' ' A' ' 92' ' ' PHE . 32.1 mt-30 -122.23 112.43 18.16 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 121.167 0.508 . . . . 75.22 110.932 -176.328 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -132.71 -176.48 14.43 Favored Glycine 0 N--CA 1.447 -0.592 0 C-N-CA 120.879 -0.677 . . . . 74.21 111.657 -176.827 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 108' ' ' ARG . . . . . 0.669 ' HA ' ' O ' ' A' ' 90' ' ' PRO . 11.1 mmt180 -90.11 6.75 41.16 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.166 0.508 . . . . 75.01 111.186 -176.31 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 61.4 m -161.85 161.55 29.01 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 108.788 -0.819 . . . . 72.32 108.788 178.228 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 94.5 mttt -52.59 -42.98 65.02 Favored 'General case' 0 N--CA 1.467 0.419 0 CA-C-O 121.194 0.521 . . . . 70.22 110.613 177.529 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 42.1 tttp -61.59 -53.22 59.17 Favored 'General case' 0 N--CA 1.452 -0.333 0 CA-C-N 115.254 -0.885 . . . . 64.45 110.881 -177.921 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 22.0 t -57.83 -49.68 80.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 115.819 -0.628 . . . . 62.22 110.954 178.714 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -60.49 -38.08 83.15 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.067 -0.515 . . . . 64.42 111.279 -178.015 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 114' ' ' ARG . . . . . 0.493 ' HG2' HG11 ' A' ' 66' ' ' VAL . 40.0 ttm180 -62.94 -46.81 86.02 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.938 -0.574 . . . . 70.23 110.135 178.786 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 79.6 mt -56.09 -50.04 72.39 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.484 0 CA-C-N 115.623 -0.717 . . . . 73.23 111.172 174.281 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -56.78 -41.58 77.92 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.943 0.402 . . . . 51.15 111.416 -179.238 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 117' ' ' ALA . . . . . 0.552 ' HB1' HG12 ' A' ' 96' ' ' VAL . . . -62.14 -45.83 91.71 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.168 0.508 . . . . 34.41 111.046 179.61 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 118' ' ' ALA . . . . . 0.557 ' O ' ' HG ' ' A' ' 122' ' ' LEU . . . -69.14 -30.43 68.67 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.685 -0.689 . . . . 61.33 111.625 -176.771 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -59.78 -47.76 84.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.041 0.448 . . . . 61.11 110.605 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 25.8 m -58.84 -40.77 85.2 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.809 -0.632 . . . . 72.03 110.598 177.484 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -63.27 -42.15 99.1 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.832 -0.622 . . . . 51.54 111.226 -179.257 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 122' ' ' LEU . . . . . 0.557 ' HG ' ' O ' ' A' ' 118' ' ' ALA . 65.7 mt -57.77 -51.63 68.78 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.296 -0.411 . . . . 64.32 111.329 -177.085 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 2.5 ptm180 -68.31 -17.73 64.34 Favored 'General case' 0 CA--C 1.533 0.293 0 CA-C-O 121.125 0.488 . . . . 71.35 110.556 -176.707 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 22.8 t -72.86 -30.09 63.71 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.172 -0.467 . . . . 60.32 110.505 176.615 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 62.9 m-85 -89.28 -64.05 1.2 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.047 0.451 . . . . 74.01 110.332 179.511 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 126' ' ' ILE . . . . . 0.588 HD13 ' H ' ' A' ' 126' ' ' ILE . 0.2 OUTLIER -111.89 138.32 41.13 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-O 121.325 0.583 . . . . 60.11 109.827 178.77 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 7.0 tp-100 -143.49 103.81 4.15 Favored 'General case' 0 C--N 1.314 -0.943 0 CA-C-N 115.559 -0.746 . . . . 74.14 110.306 -172.779 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 21.4 m-85 -85.53 -168.44 2.23 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 115.155 -0.93 . . . . 74.12 109.126 178.078 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 15.6 tppt? -75.72 66.32 2.01 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.882 0.848 . . . . 74.54 109.858 176.409 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -88.39 -57.63 2.85 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 114.769 -1.105 . . . . 73.12 109.45 176.917 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 48.93 32.45 11.65 Favored Glycine 0 CA--C 1.518 0.23 0 CA-C-N 115.039 -0.982 . . . . 61.13 113.657 179.323 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -86.18 136.35 33.23 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 117.179 0.489 . . . . 70.01 110.824 -178.413 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 28.3 m -93.56 17.71 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 115.871 -0.604 . . . . 52.44 110.439 -178.937 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 4.7 tt -80.38 87.79 5.61 Favored 'General case' 0 C--N 1.32 -0.691 0 N-CA-C 108.444 -0.947 . . . . 62.31 108.444 177.719 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 31.2 m -153.02 100.42 2.69 Favored Pre-proline 0 C--N 1.322 -0.629 0 CA-C-N 115.728 -0.669 . . . . 70.02 109.848 -178.486 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 136' ' ' PRO . . . . . . . . . . . . . 16.0 Cg_exo -68.11 111.43 2.46 Favored 'Trans proline' 0 N--CA 1.462 -0.342 0 C-N-CA 122.745 2.297 . . . . 73.11 111.763 -179.879 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 91.8 mt -96.82 90.53 5.28 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 116.124 -0.489 . . . . 72.53 110.423 178.884 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 48.8 mtmt 53.23 75.06 0.67 Allowed Pre-proline 0 N--CA 1.464 0.257 0 CA-C-N 115.553 -0.748 . . . . 74.13 111.878 -178.357 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 58.4 Cg_endo -90.04 102.88 0.32 Allowed 'Trans proline' 0 N--CA 1.451 -0.988 0 C-N-CA 122.835 2.357 . . . . 63.22 112.211 179.765 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.046 0 CA-C-O 118.298 -0.858 . . . . 38.56 110.438 179.568 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 19.3 t . . . . . 0 N--CA 1.475 0.779 0 N-CA-C 109.883 -0.414 . . . . 71.21 109.883 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.4 ' HA ' ' HD3' ' A' ' 50' ' ' PRO . 23.3 t70 -81.01 113.48 41.13 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.356 -0.383 . . . . 61.01 110.227 -179.896 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.4 ' HD3' ' HA ' ' A' ' 49' ' ' ASP . 90.1 Cg_endo -88.88 89.69 0.42 Allowed 'Trans proline' 0 N--CA 1.452 -0.925 0 C-N-CA 122.971 2.448 . . . . 61.42 113.174 -174.402 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.41 ' HD3' ' HA ' ' A' ' 51' ' ' LYS . 15.8 mmtp -88.88 91.83 8.98 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 121.264 0.554 . . . . 54.11 110.416 174.849 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.56 ' HA ' ' HE2' ' A' ' 52' ' ' LYS . 9.9 mmpt? -75.29 133.16 41.37 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.176 -0.92 . . . . 60.21 109.507 178.849 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 46.9 mtpt -93.95 133.53 37.29 Favored 'General case' 0 C--N 1.32 -0.708 0 N-CA-C 109.705 -0.48 . . . . 65.14 109.705 177.939 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 64.4 mtt -104.72 125.57 50.93 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.171 0.51 . . . . 73.44 111.305 -175.497 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 67.2 m -121.2 112.86 19.17 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.61 -0.723 . . . . 74.22 109.908 174.411 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 3.1 tppp? -111.26 20.26 17.51 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 122.183 0.992 . . . . 74.14 108.564 178.106 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.4 ' CD ' HH22 ' A' ' 114' ' ' ARG . 38.1 tt0 -132.4 134.48 45.19 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 114.622 -1.172 . . . . 72.01 110.293 -176.853 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 61.7 ttt180 -118.76 128.66 54.7 Favored 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 109.925 -0.398 . . . . 64.15 109.925 174.406 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 69.2 mt -78.58 123.54 85.5 Favored Pre-proline 0 C--N 1.321 -0.663 0 CA-C-N 116.301 -0.409 . . . . 63.02 110.053 179.501 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_exo -53.66 124.99 17.15 Favored 'Trans proline' 0 C--O 1.235 0.334 0 C-N-CA 122.728 2.285 . . . . 74.23 112.016 178.836 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' GLN . . . . . 0.545 ' N ' ' HD2' ' A' ' 62' ' ' PRO . 53.1 mt-30 -77.71 -44.41 2.45 Favored Pre-proline 0 C--N 1.325 -0.488 0 CA-C-N 115.578 -0.737 . . . . 73.21 112.688 -176.71 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' PRO . . . . . 0.545 ' HD2' ' N ' ' A' ' 61' ' ' GLN . 37.0 Cg_endo -66.19 178.31 2.58 Favored 'Trans proline' 0 C--N 1.354 0.825 0 C-N-CA 121.695 1.597 . . . . 75.33 112.409 175.237 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 29.0 mmmt -71.2 83.36 0.73 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.206 0.527 . . . . 61.2 110.748 176.73 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' ASN . . . . . 0.667 ' ND2' ' HB ' ' A' ' 66' ' ' VAL . 11.9 p-10 -75.22 149.86 38.78 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.29 -0.868 . . . . 55.12 110.563 177.089 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 32.5 p -57.24 -29.33 63.7 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.226 -0.897 . . . . 61.33 110.853 178.272 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.667 ' HB ' ' ND2' ' A' ' 64' ' ' ASN . 29.6 t -56.66 -48.31 80.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 115.257 -0.883 . . . . 64.43 110.599 176.888 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.567 ' O ' ' HG3' ' A' ' 71' ' ' GLU . . . -65.86 -36.79 84.43 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.942 -0.572 . . . . 74.34 110.271 178.798 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 68' ' ' MET . . . . . 0.475 ' HB2' HD11 ' A' ' 122' ' ' LEU . 70.9 mmm -59.49 -45.38 91.85 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.746 -0.661 . . . . 72.34 110.752 177.68 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.58 ' HB3' HD13 ' A' ' 76' ' ' LEU . 1.1 mt -62.32 -33.35 74.51 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.924 -0.58 . . . . 75.53 110.958 179.787 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 27.1 m-80 -69.93 -21.09 63.31 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.217 -0.447 . . . . 54.23 110.594 178.843 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.567 ' HG3' ' O ' ' A' ' 67' ' ' ALA . 30.7 mt-10 -85.04 -20.36 30.55 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.056 -0.52 . . . . 73.31 110.226 178.18 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 93.5 mt -94.92 -66.29 0.92 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.128 -0.487 . . . . 74.31 111.622 -178.192 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 10.7 mmt180 -117.16 172.94 6.95 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.167 0.508 . . . . 74.22 111.502 -176.063 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 6.7 p-80 -125.75 164.55 20.41 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.469 -0.787 . . . . 75.04 109.328 174.548 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 80.42 21.15 65.11 Favored Glycine 0 N--CA 1.448 -0.559 0 C-N-CA 120.209 -0.996 . . . . 60.03 111.191 -179.039 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.88 ' H ' HD23 ' A' ' 76' ' ' LEU . 1.4 pt? -85.52 102.2 13.31 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.357 0.598 . . . . 74.5 110.075 179.631 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.545 ' O ' ' HA ' ' A' ' 96' ' ' VAL . 3.4 mp -93.99 112.05 26.17 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.768 0 CA-C-N 115.837 -0.62 . . . . 64.5 110.85 -178.181 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 78' ' ' TYR . . . . . 0.525 ' CZ ' HG13 ' A' ' 66' ' ' VAL . 97.9 m-85 -89.32 108.92 19.9 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 109.609 -0.515 . . . . 75.33 109.609 173.016 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 79' ' ' LYS . . . . . 0.456 ' HG3' ' OG ' ' A' ' 95' ' ' SER . 31.5 pttt -127.95 128.38 44.99 Favored 'General case' 0 C--N 1.314 -0.949 0 CA-C-N 115.806 -0.634 . . . . 44.0 110.408 -175.236 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 43.8 tp -74.13 99.49 3.39 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.029 -0.532 . . . . 73.32 109.656 179.096 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' GLU . . . . . 0.43 ' OE1' ' HB3' ' A' ' 95' ' ' SER . 6.1 pt-20 -82.44 -29.0 30.96 Favored 'General case' 0 C--N 1.323 -0.582 0 C-N-CA 120.449 -0.501 . . . . 74.3 111.136 -174.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 24.9 m -151.78 149.6 29.21 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.796 0.331 . . . . 72.11 111.403 -178.676 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 22.8 tm0? -149.82 117.55 6.22 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 109.346 -0.613 . . . . 64.4 109.346 173.735 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 2.7 p -151.63 154.81 37.13 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.09 -0.504 . . . . 74.31 110.047 -179.876 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 139.56 176.08 14.62 Favored Glycine 0 N--CA 1.448 -0.525 0 C-N-CA 120.457 -0.878 . . . . 44.24 112.811 175.887 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -68.23 171.78 12.14 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.924 2.416 . . . . 73.24 111.899 179.355 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 14.6 p -80.81 -27.86 11.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-O 120.74 0.305 . . . . 74.42 110.987 -178.474 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 35.8 p-80 -75.11 -26.99 59.68 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 120.817 0.341 . . . . 74.02 110.624 179.529 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -153.41 77.14 6.06 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 116.229 -0.441 . . . . 64.21 110.623 178.667 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 90' ' ' PRO . . . . . 0.449 ' O ' ' HA ' ' A' ' 108' ' ' ARG . 57.8 Cg_endo -78.49 142.65 18.66 Favored 'Trans proline' 0 N--CA 1.458 -0.592 0 C-N-CA 122.234 1.956 . . . . 75.31 111.456 178.677 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.4 HD11 ' HB3' ' A' ' 106' ' ' GLN . 22.0 tp -99.29 131.61 45.19 Favored 'General case' 0 C--N 1.316 -0.858 0 CA-C-O 121.426 0.632 . . . . 74.34 110.767 -178.235 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.419 ' O ' ' HA ' ' A' ' 106' ' ' GLN . 11.0 m-85 -114.33 135.6 53.9 Favored 'General case' 0 C--N 1.313 -1.008 0 CA-C-N 115.093 -0.958 . . . . 73.0 108.654 177.958 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 93' ' ' THR . . . . . 0.471 HG22 HD11 ' A' ' 104' ' ' LEU . 24.7 m -120.19 100.83 7.42 Favored 'General case' 0 C--N 1.313 -0.99 0 CA-C-O 121.314 0.578 . . . . 43.2 110.388 -176.223 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 0.446 HG21 ' HA ' ' A' ' 114' ' ' ARG . 7.4 mm -97.45 127.82 49.36 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.792 0 CA-C-N 115.308 -0.86 . . . . 72.04 109.888 -178.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 95' ' ' SER . . . . . 0.571 ' HB2' ' HD3' ' A' ' 102' ' ' LYS . 6.4 p -106.92 123.28 47.94 Favored 'General case' 0 C--N 1.312 -1.03 0 CA-C-N 115.634 -0.712 . . . . 64.54 109.753 178.36 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.545 ' HA ' ' O ' ' A' ' 77' ' ' ILE . 12.6 p -116.28 128.23 73.65 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 CA-C-O 121.401 0.619 . . . . 63.12 109.883 175.938 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 12.0 tt0 -101.64 111.91 24.3 Favored 'General case' 0 C--N 1.315 -0.921 0 CA-C-N 115.79 -0.641 . . . . 74.45 109.648 -177.788 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 98' ' ' VAL . . . . . 0.423 HG23 HG22 ' A' ' 96' ' ' VAL . 62.0 t -132.47 124.0 50.83 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.784 0 CA-C-N 116.113 -0.494 . . . . 64.12 110.46 -175.523 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 2.1 t70 60.57 21.99 11.78 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-N 115.723 -0.671 . . . . 63.23 111.06 177.937 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 93.72 -13.88 66.51 Favored Glycine 0 C--N 1.331 0.297 0 C-N-CA 120.941 -0.647 . . . . 74.2 112.204 -179.294 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 13.3 mm100 -93.03 127.87 38.71 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 121.192 0.52 . . . . 72.1 110.289 178.214 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 102' ' ' LYS . . . . . 0.571 ' HD3' ' HB2' ' A' ' 95' ' ' SER . 2.5 tmmm? -93.85 106.07 18.06 Favored 'General case' 0 C--N 1.315 -0.911 0 CA-C-N 115.58 -0.736 . . . . 71.22 109.549 179.183 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 103' ' ' TYR . . . . . 0.49 ' HB3' ' HB ' ' A' ' 120' ' ' THR . 79.5 m-85 -93.76 130.85 39.59 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-N 115.376 -0.829 . . . . 55.22 109.594 179.656 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.615 HD23 ' HG2' ' A' ' 139' ' ' PRO . 13.3 tp -104.43 139.07 39.9 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-O 120.982 0.42 . . . . 44.42 110.752 -176.11 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 105' ' ' GLY . . . . . 0.443 ' HA3' ' N ' ' A' ' 117' ' ' ALA . . . -128.89 125.67 5.01 Favored Glycine 0 N--CA 1.44 -1.075 0 N-CA-C 111.329 -0.708 . . . . 72.15 111.329 177.081 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 106' ' ' GLN . . . . . 0.419 ' HA ' ' O ' ' A' ' 92' ' ' PHE . 21.2 mt-30 -120.04 122.97 42.3 Favored 'General case' 0 C--N 1.317 -0.812 0 N-CA-C 109.919 -0.4 . . . . 71.34 109.919 -177.954 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -143.11 -176.39 17.12 Favored Glycine 0 N--CA 1.447 -0.619 0 N-CA-C 111.575 -0.61 . . . . 44.23 111.575 -178.745 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 108' ' ' ARG . . . . . 0.449 ' HA ' ' O ' ' A' ' 90' ' ' PRO . 24.8 mmt180 -88.04 2.91 50.74 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.133 0.492 . . . . 52.11 110.873 -176.84 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 35.6 m -160.87 165.48 30.07 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 109.317 -0.623 . . . . 74.11 109.317 -179.762 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 91.7 mttt -56.68 -42.8 79.69 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-O 121.199 0.523 . . . . 63.31 109.852 176.203 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 43.3 tttt -52.92 -54.57 32.9 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-N 114.707 -1.133 . . . . 73.41 110.913 178.375 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 112' ' ' VAL . . . . . 0.507 ' O ' ' HG2' ' A' ' 116' ' ' GLU . 26.3 t -64.64 -51.18 70.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 115.476 -0.784 . . . . 70.11 110.729 -178.066 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -57.8 -39.95 78.77 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.949 -0.569 . . . . 62.1 111.962 -176.11 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 114' ' ' ARG . . . . . 0.508 ' HG3' ' CD1' ' A' ' 78' ' ' TYR . 41.0 ttm180 -65.51 -44.37 87.21 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.872 0.367 . . . . 64.0 110.617 179.908 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 115' ' ' ILE . . . . . 0.415 HG12 ' HB2' ' A' ' 64' ' ' ASN . 72.8 mt -60.19 -49.03 85.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 115.938 -0.574 . . . . 75.12 110.784 174.588 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 116' ' ' GLU . . . . . 0.507 ' HG2' ' O ' ' A' ' 112' ' ' VAL . 29.7 mm-40 -57.54 -40.38 78.69 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.463 -0.335 . . . . 74.15 111.545 179.091 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 117' ' ' ALA . . . . . 0.46 ' HB1' HG12 ' A' ' 96' ' ' VAL . . . -61.56 -47.44 85.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.117 0.484 . . . . 44.41 110.5 178.749 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 118' ' ' ALA . . . . . 0.463 ' O ' ' HG ' ' A' ' 122' ' ' LEU . . . -67.91 -32.23 72.56 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.67 -0.696 . . . . 64.24 110.915 179.806 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -64.16 -38.12 89.93 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.167 -0.47 . . . . 75.11 110.373 177.88 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 120' ' ' THR . . . . . 0.49 ' HB ' ' HB3' ' A' ' 103' ' ' TYR . 27.3 m -62.56 -40.69 97.65 Favored 'General case' 0 N--CA 1.452 -0.351 0 CA-C-O 121.336 0.589 . . . . 43.2 110.045 176.426 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -64.9 -52.14 58.14 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.54 -0.754 . . . . 74.25 111.155 178.659 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 122' ' ' LEU . . . . . 0.475 HD11 ' HB2' ' A' ' 68' ' ' MET . 62.0 mt -56.33 -47.87 77.89 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.328 -0.396 . . . . 73.04 111.518 -177.887 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 14.8 ptp180 -69.48 -16.09 63.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.354 -0.385 . . . . 74.32 110.94 -177.036 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 21.7 t -81.98 -28.16 32.81 Favored 'General case' 0 N--CA 1.453 -0.31 0 N-CA-C 109.879 -0.415 . . . . 62.2 109.879 176.542 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 25.0 m-85 -80.72 -56.16 4.33 Favored 'General case' 0 N--CA 1.451 -0.408 0 CA-C-N 116.015 -0.539 . . . . 60.51 110.201 179.52 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 126' ' ' ILE . . . . . 0.422 HD13 ' H ' ' A' ' 126' ' ' ILE . 0.2 OUTLIER -131.93 149.12 32.36 Favored 'Isoleucine or valine' 0 C--O 1.233 0.196 0 CA-C-N 116.264 -0.425 . . . . 61.44 111.16 -176.892 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 15.6 mm-40 -142.4 148.06 37.21 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.851 -0.613 . . . . 63.54 110.283 174.298 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 81.5 m-85 -103.12 26.92 7.65 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.885 -0.598 . . . . 72.42 110.568 -177.363 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 82.2 tttt -165.37 167.08 18.08 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 109.282 -0.636 . . . . 74.25 109.282 -179.339 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 1.7 p30 -61.62 -41.59 97.69 Favored 'General case' 0 C--N 1.33 -0.259 0 O-C-N 123.285 0.366 . . . . 73.21 111.146 177.734 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 67.85 30.57 74.48 Favored Glycine 0 N--CA 1.448 -0.534 0 C-N-CA 120.87 -0.681 . . . . 62.31 111.55 -178.283 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -67.39 142.58 56.68 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 110.466 -0.198 . . . . 71.31 110.466 -179.766 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 38.8 t 61.95 69.03 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 121.765 0.793 . . . . 65.14 109.392 -173.441 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 60.8 tp -99.03 116.12 30.53 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.159 -0.928 . . . . 73.23 110.629 -178.388 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 135' ' ' SER . . . . . 0.453 ' O ' ' HG ' ' A' ' 137' ' ' LEU . 8.2 t -76.77 141.02 67.97 Favored Pre-proline 0 C--N 1.32 -0.69 0 N-CA-C 109.006 -0.738 . . . . 73.5 109.006 176.707 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 136' ' ' PRO . . . . . . . . . . . . . 35.2 Cg_exo -60.83 94.4 0.11 Allowed 'Trans proline' 0 C--N 1.344 0.295 0 C-N-CA 122.291 1.994 . . . . 74.23 111.916 178.19 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 137' ' ' LEU . . . . . 0.453 ' HG ' ' O ' ' A' ' 135' ' ' SER . 65.4 mt -92.65 117.35 29.88 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.775 -0.648 . . . . 64.21 110.032 -178.499 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 138' ' ' LYS . . . . . 0.473 ' HD2' ' N ' ' A' ' 138' ' ' LYS . 0.2 OUTLIER 71.43 121.37 0.03 OUTLIER Pre-proline 0 N--CA 1.464 0.247 0 O-C-N 124.098 0.874 . . . . 61.14 110.388 -177.951 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 139' ' ' PRO . . . . . 0.615 ' HG2' HD23 ' A' ' 104' ' ' LEU . 10.3 Cg_endo -53.89 106.56 0.17 Allowed 'Trans proline' 0 C--N 1.344 0.339 0 C-N-CA 123.381 2.721 . . . . 73.42 113.294 -176.855 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.047 0 CA-C-O 118.383 -0.817 . . . . 41.33 109.53 176.983 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 17.4 m . . . . . 0 N--CA 1.476 0.83 0 N-CA-C 110.348 -0.241 . . . . 52.01 110.348 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.541 ' HA ' ' HD3' ' A' ' 50' ' ' PRO . 21.7 t70 65.21 120.84 0.02 OUTLIER Pre-proline 0 N--CA 1.472 0.639 0 C-N-CA 123.504 0.721 . . . . 74.43 112.367 176.617 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.541 ' HD3' ' HA ' ' A' ' 49' ' ' ASP . 2.0 Cg_endo -84.47 16.96 1.82 Allowed 'Trans proline' 0 CA--C 1.534 0.486 0 C-N-CA 123.361 2.707 . . . . 73.4 114.39 -174.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 30.6 mtmm -84.86 114.27 21.98 Favored 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 120.206 -0.598 . . . . 51.23 109.762 175.616 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.65 ' HB3' ' SG ' ' A' ' 55' ' ' CYS . 21.7 tptm -88.14 123.39 32.75 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.863 -0.608 . . . . 72.42 109.482 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.495 ' HG3' ' HG2' ' A' ' 54' ' ' MET . 22.2 tptm -51.1 -50.91 57.86 Favored 'General case' 0 C--N 1.331 -0.207 0 O-C-N 123.634 0.584 . . . . 63.45 111.764 -177.305 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' MET . . . . . 0.557 ' HB3' ' HE2' ' A' ' 56' ' ' LYS . 22.8 mmt -123.24 88.35 2.91 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 121.06 0.457 . . . . 71.03 110.958 -179.156 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' CYS . . . . . 0.65 ' SG ' ' HB3' ' A' ' 52' ' ' LYS . 39.2 m -81.67 90.31 6.31 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 108.971 -0.751 . . . . 70.4 108.971 174.056 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.557 ' HE2' ' HB3' ' A' ' 54' ' ' MET . 75.5 mmtt -84.48 79.1 9.69 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 116.136 -0.484 . . . . 74.31 110.389 -176.668 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 41.4 tt0 -95.61 86.98 4.58 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.768 -0.651 . . . . 60.24 109.592 179.087 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 4.3 mmp_? -113.04 3.55 16.22 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.413 -0.812 . . . . 65.02 109.551 179.447 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.405 ' HA ' ' HD3' ' A' ' 60' ' ' PRO . 31.5 pt -66.62 148.32 98.72 Favored Pre-proline 0 C--N 1.326 -0.425 0 CA-C-N 115.451 -0.795 . . . . 53.43 110.792 179.354 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' PRO . . . . . 0.405 ' HD3' ' HA ' ' A' ' 59' ' ' ILE . 14.8 Cg_exo -68.73 101.85 0.81 Allowed 'Trans proline' 0 N--CA 1.459 -0.514 0 C-N-CA 122.625 2.216 . . . . 54.11 110.964 176.39 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' GLN . . . . . 0.488 ' HG3' ' ND2' ' A' ' 64' ' ' ASN . 9.2 tp-100 -101.21 112.52 65.13 Favored Pre-proline 0 C--N 1.321 -0.656 0 CA-C-N 116.244 -0.435 . . . . 70.33 110.215 -177.111 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' PRO . . . . . 0.405 ' HD3' ' HA ' ' A' ' 61' ' ' GLN . 85.9 Cg_endo -97.46 172.56 0.7 Allowed 'Trans proline' 0 N--CA 1.45 -1.086 0 C-N-CA 123.349 2.699 . . . . 73.23 112.95 178.708 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 35.4 mmtp 56.41 44.33 24.61 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-N 115.515 -0.766 . . . . 75.14 112.4 173.687 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' ASN . . . . . 0.634 ' OD1' ' HB ' ' A' ' 66' ' ' VAL . 8.5 p30 -139.26 152.34 47.21 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 122.194 0.997 . . . . 61.34 111.691 179.056 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 25.2 p -72.7 -16.81 61.67 Favored 'General case' 0 C--N 1.313 -1.007 0 CA-C-N 114.182 -1.372 . . . . 73.24 110.805 -179.763 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.634 ' HB ' ' OD1' ' A' ' 64' ' ' ASN . 65.3 t -60.75 -48.86 86.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 115.589 -0.732 . . . . 71.32 110.177 177.253 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.536 ' O ' ' HG3' ' A' ' 71' ' ' GLU . . . -63.69 -40.21 96.22 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.798 -0.637 . . . . 64.12 109.957 176.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 77.5 mmm -56.68 -42.18 78.6 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.527 -0.761 . . . . 75.21 111.381 177.539 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.709 ' HB3' HD13 ' A' ' 76' ' ' LEU . 2.9 mt -63.07 -37.33 86.77 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.477 -0.329 . . . . 75.51 111.026 -179.784 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 27.3 m-80 -64.78 -24.32 67.52 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.091 0.472 . . . . 73.24 110.514 179.103 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.536 ' HG3' ' O ' ' A' ' 67' ' ' ALA . 29.9 mt-10 -86.45 -18.73 30.96 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.776 -0.647 . . . . 71.32 110.862 179.743 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 55.7 mt -96.67 -65.08 0.99 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.858 0.361 . . . . 63.33 111.602 -178.062 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -134.83 117.07 15.52 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 120.873 0.368 . . . . 72.44 111.1 -173.433 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 11.4 p-80 -73.72 159.8 32.45 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.899 -0.591 . . . . 74.32 110.14 174.275 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 93.07 30.5 9.3 Favored Glycine 0 N--CA 1.446 -0.638 0 C-N-CA 120.37 -0.919 . . . . 43.4 111.131 -175.636 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.846 ' H ' HD23 ' A' ' 76' ' ' LEU . 1.3 pt? -98.25 114.82 27.21 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.01 0.434 . . . . 75.23 110.454 -179.57 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.48 ' O ' ' HA ' ' A' ' 96' ' ' VAL . 4.2 mp -114.77 110.37 31.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-N 116.146 -0.479 . . . . 71.41 110.589 -178.609 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 78' ' ' TYR . . . . . 0.468 ' CD1' ' HG3' ' A' ' 114' ' ' ARG . 90.9 m-85 -90.16 123.08 33.69 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 110.274 -0.269 . . . . 74.0 110.274 177.665 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 16.8 ptpt -132.27 144.08 50.35 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 116.139 -0.482 . . . . 75.31 110.287 179.098 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 49.1 tp -87.48 100.61 12.89 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 109.1 -0.704 . . . . 72.21 109.1 177.728 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -85.82 -27.24 25.25 Favored 'General case' 0 C--N 1.325 -0.483 0 C-N-CA 120.519 -0.472 . . . . 72.23 111.7 -173.215 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 70.7 m -156.86 153.48 28.3 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.943 0.401 . . . . 75.33 111.074 -178.793 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 23.2 tm0? -149.98 116.57 5.82 Favored 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 108.592 -0.892 . . . . 70.5 108.592 178.266 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 22.5 p -147.62 157.4 43.54 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 116.324 -0.398 . . . . 63.55 110.854 -174.064 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 129.22 -165.06 22.04 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.253 -0.975 . . . . 53.25 112.825 172.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -75.15 177.04 9.14 Favored 'Trans proline' 0 N--CA 1.462 -0.373 0 C-N-CA 122.932 2.421 . . . . 64.24 111.887 177.314 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 13.2 p -92.21 -27.13 4.77 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-O 120.898 0.38 . . . . 73.31 110.319 -179.317 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 49.7 p-80 -75.91 -23.85 55.56 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.254 -0.43 . . . . 73.44 110.358 -179.682 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.439 ' HB1' ' HD2' ' A' ' 108' ' ' ARG . . . -155.59 72.59 5.43 Favored Pre-proline 0 C--N 1.328 -0.359 0 CA-C-N 116.326 -0.397 . . . . 64.51 110.537 178.611 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 90' ' ' PRO . . . . . 0.539 ' O ' ' HA ' ' A' ' 108' ' ' ARG . 5.5 Cg_exo -71.54 146.29 49.2 Favored 'Trans proline' 0 N--CA 1.454 -0.795 0 C-N-CA 121.998 1.799 . . . . 64.23 111.786 -178.305 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.447 HD11 ' HB3' ' A' ' 106' ' ' GLN . 2.8 tm? -98.21 115.91 29.33 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-O 121.364 0.602 . . . . 64.41 109.569 -179.582 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 21.0 m-85 -100.82 136.19 41.08 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 115.259 -0.882 . . . . 74.12 109.121 179.216 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 93' ' ' THR . . . . . 0.442 HG22 HD11 ' A' ' 104' ' ' LEU . 15.5 m -119.17 103.05 9.17 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 121.03 0.443 . . . . 43.21 110.591 -176.755 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 0.542 HG21 ' HA ' ' A' ' 114' ' ' ARG . 7.1 mm -100.38 128.64 52.19 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 CA-C-N 115.667 -0.697 . . . . 63.25 109.766 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 95' ' ' SER . . . . . 0.621 ' HB2' ' HD3' ' A' ' 102' ' ' LYS . 0.6 OUTLIER -110.14 137.64 47.61 Favored 'General case' 0 C--N 1.314 -0.962 0 CA-C-N 116.016 -0.538 . . . . 45.22 110.431 175.651 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.542 HG12 ' HB1' ' A' ' 117' ' ' ALA . 7.1 p -133.34 128.1 54.89 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.818 0 CA-C-N 115.822 -0.626 . . . . 72.24 110.14 176.149 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 26.7 tt0 -96.7 115.72 27.91 Favored 'General case' 0 C--N 1.316 -0.867 0 N-CA-C 109.353 -0.61 . . . . 73.1 109.353 176.489 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 18.6 t -124.34 120.92 60.48 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.792 0 CA-C-N 115.868 -0.605 . . . . 74.13 109.763 -176.952 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 22.1 t70 67.27 1.73 2.55 Favored 'General case' 0 N--CA 1.47 0.556 0 O-C-N 123.739 0.649 . . . . 64.14 111.142 179.708 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 120.33 -19.05 9.36 Favored Glycine 0 N--CA 1.446 -0.669 0 C-N-CA 120.944 -0.646 . . . . 74.22 112.298 -178.695 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 10.2 mm100 -91.99 133.57 35.6 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.991 0.424 . . . . 63.52 111.249 -179.873 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 102' ' ' LYS . . . . . 0.621 ' HD3' ' HB2' ' A' ' 95' ' ' SER . 0.5 OUTLIER -98.03 100.29 11.61 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.826 -0.624 . . . . 73.12 109.809 -176.195 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 70.6 m-85 -89.84 147.74 23.6 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.553 -0.749 . . . . 74.54 109.974 -178.813 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.442 HD11 HG22 ' A' ' 93' ' ' THR . 13.3 tp -118.47 137.13 53.39 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 120.877 0.37 . . . . 65.33 110.853 -177.172 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 105' ' ' GLY . . . . . 0.423 ' HA3' ' N ' ' A' ' 117' ' ' ALA . . . -130.98 131.15 6.32 Favored Glycine 0 N--CA 1.446 -0.681 0 N-CA-C 111.456 -0.658 . . . . 72.23 111.456 178.909 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 106' ' ' GLN . . . . . 0.447 ' HB3' HD11 ' A' ' 91' ' ' LEU . 26.5 mt-30 -122.67 125.25 45.21 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 120.867 0.365 . . . . 73.04 110.691 -175.378 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -145.28 179.69 22.19 Favored Glycine 0 N--CA 1.448 -0.505 0 C-N-CA 120.811 -0.709 . . . . 61.12 112.188 -178.13 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 108' ' ' ARG . . . . . 0.539 ' HA ' ' O ' ' A' ' 90' ' ' PRO . 29.0 mmt180 -88.75 6.92 36.42 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.176 0.513 . . . . 72.52 111.309 -177.309 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 49.3 m -160.57 165.94 29.88 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 108.665 -0.865 . . . . 52.11 108.665 178.283 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 55.3 mttp -59.07 -39.62 82.7 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.188 0.518 . . . . 52.25 110.343 -179.27 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 82.2 tttt -62.55 -53.81 49.15 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.248 -0.887 . . . . 61.21 111.056 -179.491 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 112' ' ' VAL . . . . . 0.473 ' O ' ' HG2' ' A' ' 116' ' ' GLU . 22.5 t -53.79 -50.95 48.68 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 115.923 -0.58 . . . . 63.04 110.248 179.517 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -60.9 -41.54 96.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.841 -0.618 . . . . 51.31 111.744 -177.035 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 114' ' ' ARG . . . . . 0.542 ' HA ' HG21 ' A' ' 94' ' ' ILE . 22.5 ttm180 -63.03 -41.98 99.66 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.897 0.38 . . . . 71.23 110.57 179.635 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 115' ' ' ILE . . . . . 0.535 HG12 ' HB2' ' A' ' 64' ' ' ASN . 73.4 mt -65.74 -47.92 84.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 116.026 -0.533 . . . . 60.44 111.044 176.576 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 116' ' ' GLU . . . . . 0.473 ' HG2' ' O ' ' A' ' 112' ' ' VAL . 42.8 mm-40 -57.84 -38.57 75.9 Favored 'General case' 0 C--O 1.236 0.349 0 CA-C-O 120.927 0.394 . . . . 63.32 111.642 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 117' ' ' ALA . . . . . 0.542 ' HB1' HG12 ' A' ' 96' ' ' VAL . . . -62.49 -44.89 95.27 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.257 -0.429 . . . . 74.31 110.382 177.315 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 118' ' ' ALA . . . . . 0.528 ' O ' ' HG ' ' A' ' 122' ' ' LEU . . . -67.13 -35.72 80.34 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.709 -0.678 . . . . 73.31 111.274 -179.844 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -61.65 -38.57 88.22 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.137 0.494 . . . . 72.32 110.584 179.89 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 120' ' ' THR . . . . . 0.484 ' O ' ' HG2' ' A' ' 123' ' ' ARG . 21.4 m -67.44 -41.88 84.04 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.669 -0.696 . . . . 70.32 110.287 178.567 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -59.39 -47.11 86.69 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.767 -0.651 . . . . 70.11 110.738 178.333 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 122' ' ' LEU . . . . . 0.528 ' HG ' ' O ' ' A' ' 118' ' ' ALA . 37.4 mt -53.25 -49.65 66.42 Favored 'General case' 0 N--CA 1.462 0.152 0 CA-C-N 115.97 -0.559 . . . . 65.35 111.542 -177.556 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 123' ' ' ARG . . . . . 0.484 ' HG2' ' O ' ' A' ' 120' ' ' THR . 23.9 ptt180 -66.39 -24.92 66.56 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.466 -0.334 . . . . 71.13 111.011 -175.376 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 4.7 t -73.38 -24.06 60.26 Favored 'General case' 0 N--CA 1.453 -0.311 0 CA-C-O 121.122 0.487 . . . . 53.22 110.156 179.682 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 63.7 m-85 -87.54 -54.72 4.13 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.048 -0.524 . . . . 74.34 110.333 175.721 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 126' ' ' ILE . . . . . 0.473 ' O ' ' HA ' ' A' ' 123' ' ' ARG . 0.2 OUTLIER -137.83 149.2 25.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.135 -0.484 . . . . 74.43 110.619 -178.592 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -137.92 77.99 1.66 Allowed 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.592 0.71 . . . . 65.31 110.211 175.206 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 128' ' ' PHE . . . . . 0.46 ' CD1' ' HB ' ' A' ' 126' ' ' ILE . 45.1 m-85 -104.86 177.45 4.85 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.37 -0.832 . . . . 75.13 110.187 -177.532 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 18.7 ptpt 47.88 26.7 0.98 Allowed 'General case' 0 N--CA 1.474 0.731 0 O-C-N 124.395 1.06 . . . . 74.4 112.19 179.605 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -110.44 -42.39 4.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.16 0.505 . . . . 74.02 109.901 179.141 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 89.12 13.62 61.76 Favored Glycine 0 N--CA 1.448 -0.527 0 N-CA-C 110.765 -0.934 . . . . 64.13 110.765 -175.259 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -56.24 135.91 53.23 Favored 'General case' 0 C--O 1.235 0.335 0 CA-C-N 114.936 -0.632 . . . . 62.41 111.325 -179.005 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 35.1 m -110.52 141.64 25.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 116.07 -0.514 . . . . 52.34 111.296 -175.722 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 3.6 pp -121.18 11.26 10.84 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 121.789 0.804 . . . . 71.05 109.336 173.867 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 68.8 m -87.39 151.61 51.18 Favored Pre-proline 0 C--N 1.318 -0.767 0 CA-C-N 114.509 -1.223 . . . . 64.25 110.508 -179.811 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 136' ' ' PRO . . . . . . . . . . . . . 39.6 Cg_endo -68.3 108.3 1.76 Allowed 'Trans proline' 0 N--CA 1.463 -0.31 0 C-N-CA 122.579 2.186 . . . . 61.41 112.003 177.594 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 4.5 pp -101.28 144.33 30.26 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.156 -0.474 . . . . 71.33 110.123 177.08 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 138' ' ' LYS . . . . . 0.498 ' HD2' ' HD2' ' A' ' 139' ' ' PRO . 13.4 tptm -89.65 125.49 61.06 Favored Pre-proline 0 C--N 1.322 -0.621 0 CA-C-N 116.119 -0.492 . . . . 74.52 110.842 -179.487 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 139' ' ' PRO . . . . . 0.498 ' HD2' ' HD2' ' A' ' 138' ' ' LYS . 93.2 Cg_endo -80.73 -155.5 0.06 OUTLIER 'Trans proline' 0 CA--C 1.531 0.35 0 C-N-CA 122.89 2.393 . . . . 73.52 111.352 172.06 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.083 0 CA-C-O 118.788 -0.625 . . . . 45.13 110.493 176.154 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 19.3 m . . . . . 0 N--CA 1.474 0.753 0 CA-C-O 120.637 0.256 . . . . 63.43 110.661 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.407 ' HA ' ' HD3' ' A' ' 50' ' ' PRO . 18.5 t70 -69.6 117.25 51.26 Favored Pre-proline 0 C--N 1.33 -0.244 0 N-CA-C 109.937 -0.394 . . . . 75.44 109.937 178.121 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.407 ' HD3' ' HA ' ' A' ' 49' ' ' ASP . 37.9 Cg_endo -88.51 113.16 0.71 Allowed 'Trans proline' 0 N--CA 1.45 -1.045 0 C-N-CA 122.658 2.238 . . . . 73.42 112.293 -179.375 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 53.2 tptt -69.0 108.87 3.7 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 109.689 -0.486 . . . . 71.13 109.689 175.471 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 15.2 tppt? -93.7 115.51 27.96 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.153 -0.476 . . . . 60.42 109.814 -177.318 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.415 ' HD2' ' N ' ' A' ' 53' ' ' LYS . 0.1 OUTLIER -82.53 -42.65 18.11 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.067 0.46 . . . . 74.04 110.305 -177.869 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 27.0 ptt? -153.46 130.16 10.81 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.018 -0.537 . . . . 63.11 110.521 178.503 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 26.6 t -148.73 89.69 1.71 Allowed 'General case' 0 C--N 1.318 -0.765 0 N-CA-C 108.933 -0.765 . . . . 44.5 108.933 176.137 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 46.1 mttp -86.71 93.14 9.16 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.846 -0.616 . . . . 75.42 110.765 -177.479 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -146.35 55.51 1.15 Allowed 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 121.474 0.654 . . . . 71.44 110.064 179.084 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.505 ' O ' ' HD3' ' A' ' 60' ' ' PRO . 48.6 mtm180 -81.65 102.24 10.56 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 109.416 -0.587 . . . . 72.11 109.416 174.956 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 11.3 pt -113.32 85.9 9.15 Favored Pre-proline 0 C--N 1.322 -0.591 0 CA-C-N 116.2 -0.455 . . . . 71.32 111.089 179.545 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' PRO . . . . . 0.886 ' HA ' ' HB1' ' A' ' 67' ' ' ALA . 9.8 Cg_endo -90.65 19.04 1.22 Allowed 'Trans proline' 0 N--CA 1.456 -0.691 0 C-N-CA 123.429 2.753 . . . . 73.44 111.726 178.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -77.51 -52.16 1.78 Allowed Pre-proline 0 C--N 1.325 -0.481 0 CA-C-N 115.466 -0.788 . . . . 74.41 111.542 -177.648 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 6.2 Cg_exo -74.89 -177.41 3.42 Favored 'Trans proline' 0 C--N 1.354 0.823 0 C-N-CA 121.948 1.765 . . . . 71.3 112.032 178.038 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 44.4 mmtm -101.8 9.95 40.34 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.086 0.47 . . . . 64.32 110.474 -179.047 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 17.0 p-10 -59.66 142.32 53.23 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.426 -0.806 . . . . 64.42 110.648 176.264 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 34.1 p -56.77 -27.68 59.99 Favored 'General case' 0 C--N 1.315 -0.913 0 CA-C-N 114.848 -1.069 . . . . 73.05 111.392 -179.816 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 38.4 t -57.21 -44.92 84.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 115.584 -0.735 . . . . 71.33 110.405 176.306 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.886 ' HB1' ' HA ' ' A' ' 60' ' ' PRO . . . -62.32 -42.92 99.78 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.756 -0.656 . . . . 42.44 110.09 178.463 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 69.0 mmm -58.44 -44.3 89.1 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.22 -0.9 . . . . 54.44 110.727 178.782 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.58 ' HB3' HD13 ' A' ' 76' ' ' LEU . 0.9 OUTLIER -62.04 -37.27 84.29 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.062 -0.517 . . . . 55.04 111.491 179.498 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 70' ' ' ASN . . . . . 0.465 ' OD1' ' HG2' ' A' ' 58' ' ' ARG . 20.3 m-80 -69.04 -20.27 64.12 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-O 121.178 0.514 . . . . 74.34 110.732 -178.045 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 -86.91 -26.67 23.8 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.598 -0.728 . . . . 73.24 110.955 178.612 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 80.3 mt -86.35 -61.09 1.82 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.054 -0.521 . . . . 72.04 112.027 -175.369 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' ARG . . . . . 0.412 HH11 ' HD3' ' A' ' 73' ' ' ARG . 6.3 mmt-85 -125.29 173.57 8.73 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.939 0.399 . . . . 61.4 111.311 -175.763 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 10.3 p-80 -121.64 160.3 24.71 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.611 -0.722 . . . . 73.01 109.284 174.582 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 78.42 38.11 25.89 Favored Glycine 0 N--CA 1.446 -0.672 0 C-N-CA 120.317 -0.945 . . . . 62.22 111.508 -177.666 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.749 ' H ' HD23 ' A' ' 76' ' ' LEU . 0.7 OUTLIER -95.39 88.67 5.18 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.344 0.592 . . . . 44.31 110.008 178.205 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 4.3 mp -89.28 108.46 19.16 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-N 115.958 -0.564 . . . . 74.22 110.524 -177.322 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' TYR . . . . . 0.43 ' CD1' ' HB ' ' A' ' 96' ' ' VAL . 94.1 m-85 -82.63 119.66 24.57 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 109.533 -0.543 . . . . 74.35 109.533 174.843 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 79' ' ' LYS . . . . . 0.634 ' HG2' ' O ' ' A' ' 95' ' ' SER . 14.3 ptpt -127.47 133.9 49.86 Favored 'General case' 0 C--N 1.318 -0.8 0 N-CA-C 109.807 -0.442 . . . . 73.33 109.807 -179.256 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.526 HD22 ' HE2' ' A' ' 110' ' ' LYS . 34.0 tp -81.49 116.07 21.1 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 109.189 -0.671 . . . . 62.44 109.189 177.336 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -93.35 -29.84 15.42 Favored 'General case' 0 C--N 1.322 -0.603 0 C-N-CA 120.292 -0.563 . . . . 71.11 111.631 -177.581 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 3.0 p -156.93 144.92 19.32 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.055 0.455 . . . . 64.13 111.749 -179.275 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 20.9 tm0? -125.48 124.46 41.42 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 109.025 -0.732 . . . . 64.21 109.025 174.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 7.2 p -146.41 -164.6 2.01 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.006 -0.543 . . . . 74.25 110.334 -176.653 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 95.11 175.37 37.77 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 121.164 -0.541 . . . . 72.23 113.095 171.711 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -68.25 -174.83 0.71 Allowed 'Trans proline' 0 C--N 1.345 0.36 0 C-N-CA 123.125 2.55 . . . . 70.32 111.738 176.525 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 9.9 p -97.75 -25.35 4.13 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.754 0 C-N-CA 120.514 -0.474 . . . . 74.35 110.401 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 43.1 p-80 -76.86 -24.91 52.61 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.998 0.428 . . . . 71.52 110.022 179.353 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -160.62 74.25 2.79 Favored Pre-proline 0 C--N 1.327 -0.37 0 CA-C-N 115.804 -0.635 . . . . 65.24 110.108 179.076 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 90' ' ' PRO . . . . . 0.63 ' O ' ' HA ' ' A' ' 108' ' ' ARG . 11.5 Cg_exo -65.42 166.86 18.21 Favored 'Trans proline' 0 N--CA 1.454 -0.802 0 C-N-CA 121.886 1.724 . . . . 73.51 112.115 -176.254 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.43 HD11 ' NE2' ' A' ' 106' ' ' GLN . 2.9 tm? -113.35 112.19 23.26 Favored 'General case' 0 C--N 1.314 -0.96 0 CA-C-N 115.475 -0.784 . . . . 71.13 109.26 179.713 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.493 ' O ' ' HA ' ' A' ' 106' ' ' GLN . 34.0 m-85 -104.14 131.74 51.1 Favored 'General case' 0 C--N 1.314 -0.958 0 CA-C-N 115.1 -0.954 . . . . 62.42 108.958 179.489 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 93' ' ' THR . . . . . 0.456 HG22 HD11 ' A' ' 104' ' ' LEU . 19.7 m -113.27 104.85 12.74 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-O 121.313 0.578 . . . . 72.42 110.923 -178.183 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 5.7 mm -99.6 130.11 49.13 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.674 0 CA-C-N 115.336 -0.847 . . . . 62.03 110.055 179.124 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 95' ' ' SER . . . . . 0.634 ' O ' ' HG2' ' A' ' 79' ' ' LYS . 0.1 OUTLIER -107.96 120.77 43.23 Favored 'General case' 0 C--N 1.312 -1.038 0 CA-C-N 115.537 -0.756 . . . . 73.32 109.616 175.507 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.46 HG22 HG23 ' A' ' 98' ' ' VAL . 10.1 p -110.14 124.81 67.19 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.822 0 C-N-CA 120.347 -0.541 . . . . 73.33 110.316 178.324 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 15.5 tt0 -95.47 113.57 25.24 Favored 'General case' 0 C--N 1.315 -0.9 0 N-CA-C 108.991 -0.744 . . . . 55.42 108.991 179.895 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 98' ' ' VAL . . . . . 0.46 HG23 HG22 ' A' ' 96' ' ' VAL . 32.7 t -134.29 123.51 43.43 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.775 0 CA-C-N 116.288 -0.414 . . . . 72.12 110.492 -175.885 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 20.1 t70 63.71 16.71 9.94 Favored 'General case' 0 CA--C 1.532 0.284 0 CA-C-O 121.46 0.648 . . . . 73.04 110.469 176.659 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 96.83 -11.68 66.13 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.873 -0.679 . . . . 71.44 112.208 -179.162 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 6.7 mm100 -96.99 132.98 42.26 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.852 0.358 . . . . 71.41 110.34 177.266 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 102' ' ' LYS . . . . . 0.632 ' HD3' ' CB ' ' A' ' 95' ' ' SER . 2.0 tmmm? -94.97 113.4 25.1 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 121.055 0.455 . . . . 73.12 109.824 178.606 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 103' ' ' TYR . . . . . 0.427 ' HB3' ' HB ' ' A' ' 120' ' ' THR . 63.5 m-85 -100.63 141.84 32.93 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.79 -0.641 . . . . 60.44 109.656 177.519 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.812 HD23 ' HE2' ' A' ' 138' ' ' LYS . 13.7 tp -114.02 144.67 42.72 Favored 'General case' 0 C--N 1.32 -0.683 0 C-N-CA 120.731 -0.387 . . . . 53.44 110.905 -174.682 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 105' ' ' GLY . . . . . 0.57 ' HA3' ' N ' ' A' ' 117' ' ' ALA . . . -142.52 136.21 7.05 Favored Glycine 0 N--CA 1.446 -0.672 0 N-CA-C 111.559 -0.616 . . . . 74.03 111.559 177.882 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 106' ' ' GLN . . . . . 0.493 ' HA ' ' O ' ' A' ' 92' ' ' PHE . 26.4 mt-30 -124.4 112.17 16.61 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.899 0.38 . . . . 73.14 110.408 -175.773 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -125.58 -172.64 13.46 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.965 -0.636 . . . . 72.5 112.371 -175.785 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 108' ' ' ARG . . . . . 0.63 ' HA ' ' O ' ' A' ' 90' ' ' PRO . 45.3 mmt-85 -90.33 -3.7 57.58 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.213 0.53 . . . . 72.42 110.939 -178.239 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 109' ' ' SER . . . . . 0.427 ' HB2' HG23 ' A' ' 112' ' ' VAL . 48.8 m -155.64 165.74 35.65 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 108.265 -1.013 . . . . 54.43 108.265 -178.882 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 110' ' ' LYS . . . . . 0.526 ' HE2' HD22 ' A' ' 80' ' ' LEU . 99.0 mttt -57.53 -43.28 84.23 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.293 0.568 . . . . 73.2 110.121 178.327 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 74.1 tttt -61.83 -48.84 78.75 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.2 -0.909 . . . . 73.24 110.752 179.469 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 112' ' ' VAL . . . . . 0.643 ' O ' ' HG2' ' A' ' 116' ' ' GLU . 45.1 t -61.86 -47.26 94.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 115.696 -0.684 . . . . 73.43 110.231 179.925 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -59.97 -38.33 82.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.09 -0.505 . . . . 75.52 111.105 179.685 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 16.8 ttm180 -60.3 -42.65 95.98 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.885 -0.598 . . . . 73.1 110.219 176.836 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 68.8 mt -61.49 -51.83 68.27 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.281 0 CA-C-N 115.762 -0.654 . . . . 72.54 110.722 175.041 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 116' ' ' GLU . . . . . 0.643 ' HG2' ' O ' ' A' ' 112' ' ' VAL . 5.2 mm-40 -57.96 -39.16 77.45 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 120.891 0.377 . . . . 72.04 111.268 -178.911 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 117' ' ' ALA . . . . . 0.57 ' N ' ' HA3' ' A' ' 105' ' ' GLY . . . -63.21 -44.99 93.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.133 0.492 . . . . 60.21 110.813 178.332 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 118' ' ' ALA . . . . . 0.563 ' O ' ' HG ' ' A' ' 122' ' ' LEU . . . -66.35 -30.22 70.57 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.538 -0.756 . . . . 75.24 110.934 179.522 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -60.43 -42.82 96.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.121 -0.491 . . . . 53.51 110.731 178.372 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 120' ' ' THR . . . . . 0.503 ' O ' ' HG2' ' A' ' 123' ' ' ARG . 31.6 m -63.04 -42.01 99.65 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.21 0.529 . . . . 70.12 110.657 177.796 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -61.45 -44.86 96.37 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.995 -0.548 . . . . 70.2 110.994 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 122' ' ' LEU . . . . . 0.563 ' HG ' ' O ' ' A' ' 118' ' ' ALA . 65.3 mt -57.88 -45.22 86.7 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.145 -0.479 . . . . 63.25 111.39 -177.779 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 123' ' ' ARG . . . . . 0.503 ' HG2' ' O ' ' A' ' 120' ' ' THR . 13.0 ptt180 -67.95 -20.27 65.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.76 0.314 . . . . 73.12 110.777 -175.689 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 27.1 m -78.71 -27.64 44.95 Favored 'General case' 0 N--CA 1.441 -0.879 0 CA-C-O 120.723 0.297 . . . . 61.3 111.545 176.308 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 125' ' ' PHE . . . . . 0.408 ' HE2' HD21 ' A' ' 69' ' ' LEU . 27.1 m-85 -89.6 -57.95 2.69 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.961 0.41 . . . . 64.54 111.299 -177.47 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 126' ' ' ILE . . . . . 0.484 HD13 ' H ' ' A' ' 126' ' ' ILE . 0.2 OUTLIER -117.21 150.64 19.2 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-O 120.788 0.327 . . . . 71.43 110.193 -178.339 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 5.4 pp0? -130.04 156.66 44.13 Favored 'General case' 0 C--N 1.319 -0.725 0 N-CA-C 109.694 -0.484 . . . . 73.53 109.694 177.8 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 61.0 m-85 -116.19 133.83 55.59 Favored 'General case' 0 C--N 1.318 -0.767 0 N-CA-C 109.922 -0.399 . . . . 72.13 109.922 -177.67 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 53.7 mtpt -87.0 89.31 7.95 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 109.352 -0.61 . . . . 72.43 109.352 178.225 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 54.0 p-10 -115.16 -23.4 9.0 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.168 -0.923 . . . . 74.21 111.561 -174.157 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 64.94 23.68 69.57 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.862 -0.685 . . . . 62.24 111.922 -177.25 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -103.08 168.38 9.22 Favored 'General case' 0 N--CA 1.451 -0.38 0 CA-C-O 121.023 0.44 . . . . 74.11 111.088 -176.925 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 21.3 m -119.14 29.29 2.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-N 115.95 -0.568 . . . . 55.4 110.988 -179.265 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 58.7 tp -97.34 100.21 11.66 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.963 -0.562 . . . . 73.12 110.45 -177.884 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 37.5 t -152.23 81.81 5.49 Favored Pre-proline 0 C--N 1.326 -0.455 0 CA-C-N 116.007 -0.542 . . . . 74.11 110.329 177.929 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 136' ' ' PRO . . . . . . . . . . . . . 3.5 Cg_exo -76.29 95.53 1.04 Allowed 'Trans proline' 0 N--CA 1.461 -0.404 0 C-N-CA 122.866 2.377 . . . . 74.3 111.455 178.936 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 94.9 mt -84.89 168.09 15.38 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.115 -0.493 . . . . 60.34 110.709 -179.325 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 138' ' ' LYS . . . . . 0.812 ' HE2' HD23 ' A' ' 104' ' ' LEU . 18.0 pttp -82.05 164.84 46.46 Favored Pre-proline 0 C--N 1.325 -0.49 0 CA-C-N 116.023 -0.535 . . . . 73.45 110.125 -179.431 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 139' ' ' PRO . . . . . 0.431 ' O ' ' HG3' ' A' ' 138' ' ' LYS . 15.6 Cg_endo -59.48 153.21 56.1 Favored 'Trans proline' 0 C--O 1.234 0.306 0 C-N-CA 122.171 1.914 . . . . 74.42 110.772 170.03 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.032 0 CA-C-O 118.732 -0.652 . . . . 74.12 111.014 -176.093 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 16.8 m . . . . . 0 N--CA 1.478 0.957 0 N-CA-C 109.705 -0.48 . . . . 62.12 109.705 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.794 ' HB3' ' HD2' ' A' ' 50' ' ' PRO . 6.3 m-20 72.08 174.74 0.08 OUTLIER Pre-proline 0 CA--C 1.534 0.363 0 O-C-N 123.609 0.568 . . . . 64.1 111.637 166.475 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.794 ' HD2' ' HB3' ' A' ' 49' ' ' ASP . 95.1 Cg_endo -77.83 -0.71 10.91 Favored 'Trans proline' 0 C--N 1.347 0.479 0 C-N-CA 122.336 2.024 . . . . 71.02 112.903 179.743 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.502 ' HD3' ' H ' ' A' ' 51' ' ' LYS . 0.0 OUTLIER -132.41 117.55 18.22 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.325 0.583 . . . . 62.13 110.231 179.124 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.43 ' HE2' ' HB2' ' A' ' 52' ' ' LYS . 2.3 mppt? -114.6 93.57 4.39 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.752 -0.658 . . . . 70.45 109.493 177.633 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 14.3 mmmm -78.2 106.67 10.26 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 121.257 0.551 . . . . 74.23 110.508 -179.33 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -74.15 108.07 6.73 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.386 -0.825 . . . . 73.33 110.519 179.016 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 57.8 m -81.72 136.48 35.46 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.829 -0.623 . . . . 73.01 109.419 178.284 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 31.3 mmtp -85.44 94.13 8.92 Favored 'General case' 0 C--N 1.321 -0.652 0 C-N-CA 120.788 -0.365 . . . . 71.44 110.333 179.364 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -63.18 104.27 0.57 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.963 -0.562 . . . . 61.44 110.171 176.178 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 13.1 mmm180 -95.59 131.23 42.02 Favored 'General case' 0 C--N 1.317 -0.839 0 CA-C-N 115.651 -0.704 . . . . 73.32 109.715 -177.811 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 23.8 pt -52.23 107.0 0.73 Allowed Pre-proline 0 CA--C 1.533 0.31 0 O-C-N 123.834 0.709 . . . . 64.42 112.266 -175.954 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 86.5 Cg_endo -96.12 -170.52 0.17 Allowed 'Trans proline' 0 N--CA 1.448 -1.153 0 C-N-CA 123.322 2.681 . . . . 52.42 112.135 -178.216 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 24.5 mp0 -84.05 131.04 52.43 Favored Pre-proline 0 C--N 1.32 -0.715 0 CA-C-N 115.931 -0.577 . . . . 60.22 109.657 176.427 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 31.1 Cg_exo -59.69 92.54 0.08 OUTLIER 'Trans proline' 0 C--O 1.234 0.308 0 C-N-CA 123.127 2.551 . . . . 52.23 113.048 -176.666 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 50.6 mtmt -132.18 -2.51 3.55 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.497 -0.774 . . . . 73.44 109.587 174.526 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' ASN . . . . . 0.51 ' ND2' ' HB ' ' A' ' 66' ' ' VAL . 15.8 p-10 -107.82 150.82 26.54 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.081 -0.963 . . . . 61.54 110.869 -176.663 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 33.8 p -65.8 -24.07 66.84 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 115.078 -0.964 . . . . 72.44 110.908 -179.393 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.51 ' HB ' ' ND2' ' A' ' 64' ' ' ASN . 38.8 t -56.85 -46.17 83.46 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 CA-C-N 115.442 -0.799 . . . . 55.04 110.353 176.512 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.553 ' O ' ' HG2' ' A' ' 71' ' ' GLU . . . -65.12 -39.68 93.42 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.417 -0.811 . . . . 72.43 110.217 178.488 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' MET . . . . . 0.414 ' HB2' HD11 ' A' ' 122' ' ' LEU . 82.6 mmm -58.93 -40.31 84.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.438 -0.801 . . . . 74.13 111.055 179.067 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.525 ' HB3' HD13 ' A' ' 76' ' ' LEU . 3.6 mt -65.58 -33.16 75.27 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.178 -0.464 . . . . 73.55 111.359 -179.849 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 26.1 m-80 -71.04 -19.97 62.43 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.181 0.515 . . . . 72.44 110.241 179.871 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.553 ' HG2' ' O ' ' A' ' 67' ' ' ALA . 19.2 mm-40 -84.23 -25.44 29.44 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.552 -0.749 . . . . 63.55 110.59 177.229 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 71.4 mt -96.26 -47.02 6.19 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 112.291 0.478 . . . . 74.24 112.291 -174.94 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 75.1 mmt-85 -130.89 161.13 32.53 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.259 0.552 . . . . 65.14 111.318 -179.615 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 5.5 p-80 -122.5 153.79 38.71 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 115.259 -0.882 . . . . 62.31 109.194 173.207 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 92.74 17.72 43.64 Favored Glycine 0 N--CA 1.445 -0.721 0 C-N-CA 120.341 -0.933 . . . . 75.25 111.651 -177.866 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.894 ' H ' HD23 ' A' ' 76' ' ' LEU . 1.3 pt? -85.01 133.26 34.25 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 110.032 -0.359 . . . . 54.14 110.032 179.03 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 2.6 mp -126.28 109.72 21.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 116.506 -0.316 . . . . 74.42 110.532 -178.689 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' TYR . . . . . 0.527 ' CE1' HD12 ' A' ' 76' ' ' LEU . 96.7 m-85 -86.81 119.41 27.01 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 109.864 -0.421 . . . . 64.03 109.864 176.0 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 16.6 ptpt -132.43 136.02 46.47 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-O 121.027 0.441 . . . . 71.15 110.749 -179.021 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.4 ' HA ' HD13 ' A' ' 94' ' ' ILE . 47.1 tp -79.23 100.33 7.45 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 109.308 -0.627 . . . . 64.43 109.308 175.845 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -92.48 -21.06 20.36 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 120.881 0.372 . . . . 72.44 111.739 -174.167 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' SER . . . . . 0.519 ' HB2' ' HB ' ' A' ' 93' ' ' THR . 25.1 m -148.36 141.12 24.62 Favored 'General case' 0 C--N 1.319 -0.742 0 N-CA-C 109.95 -0.389 . . . . 71.04 109.95 178.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 21.3 tm0? -148.88 103.44 3.36 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 108.842 -0.799 . . . . 50.14 108.842 177.295 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 20.0 p -148.2 164.2 34.66 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.829 -0.623 . . . . 73.3 110.473 -175.516 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 129.78 -165.92 22.1 Favored Glycine 0 N--CA 1.445 -0.753 0 C-N-CA 120.277 -0.963 . . . . 64.43 112.517 174.493 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -75.24 172.24 16.73 Favored 'Trans proline' 0 N--CA 1.462 -0.354 0 C-N-CA 123.046 2.497 . . . . 73.45 111.668 177.755 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 10.5 p -90.21 -18.97 7.44 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 C-N-CA 120.842 -0.343 . . . . 60.01 110.566 -179.791 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 35.4 p-80 -79.2 -23.64 43.7 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-O 120.871 0.367 . . . . 72.22 110.413 178.039 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.529 ' HB1' ' HD2' ' A' ' 108' ' ' ARG . . . -159.91 75.9 2.95 Favored Pre-proline 0 C--N 1.327 -0.391 0 CA-C-N 116.105 -0.498 . . . . 71.21 110.475 179.561 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 90' ' ' PRO . . . . . 0.537 ' O ' ' HA ' ' A' ' 108' ' ' ARG . 3.7 Cg_exo -69.31 146.27 62.4 Favored 'Trans proline' 0 N--CA 1.455 -0.753 0 C-N-CA 122.127 1.884 . . . . 72.32 111.35 -179.249 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.405 HD11 ' HB3' ' A' ' 106' ' ' GLN . 2.7 tm? -98.92 114.9 27.73 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-O 121.476 0.655 . . . . 73.44 109.668 -179.573 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.467 ' O ' ' HA ' ' A' ' 106' ' ' GLN . 10.3 m-85 -101.37 134.67 44.09 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 115.085 -0.961 . . . . 64.14 108.673 178.345 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 93' ' ' THR . . . . . 0.519 ' HB ' ' HB2' ' A' ' 82' ' ' SER . 19.6 m -119.37 103.25 9.3 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-O 120.992 0.425 . . . . 61.13 110.296 -177.514 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 0.4 HD13 ' HA ' ' A' ' 80' ' ' LEU . 8.5 mm -100.58 129.15 51.85 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.712 0 CA-C-N 115.619 -0.719 . . . . 71.33 109.547 179.242 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 95' ' ' SER . . . . . 0.567 ' HB2' ' HD3' ' A' ' 102' ' ' LYS . 3.3 p -113.53 134.86 54.45 Favored 'General case' 0 C--N 1.314 -0.936 0 CA-C-O 120.968 0.413 . . . . 74.24 110.239 175.38 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.498 HG12 ' HB1' ' A' ' 117' ' ' ALA . 7.7 p -132.17 128.51 59.05 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.876 0 CA-C-N 115.814 -0.63 . . . . 64.0 109.89 176.152 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 20.6 tt0 -97.12 112.3 24.14 Favored 'General case' 0 C--N 1.314 -0.942 0 N-CA-C 109.523 -0.547 . . . . 51.21 109.523 178.634 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 98' ' ' VAL . . . . . 0.4 ' HB ' ' HE2' ' A' ' 103' ' ' TYR . 59.3 t -123.07 123.6 68.29 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.891 0 CA-C-N 115.513 -0.767 . . . . 70.54 110.408 -175.591 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 20.0 t70 68.84 2.66 3.61 Favored 'General case' 0 CA--C 1.533 0.291 0 CA-C-N 115.782 -0.645 . . . . 70.22 111.222 175.132 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 116.35 -17.68 14.16 Favored Glycine 0 N--CA 1.449 -0.465 0 C-N-CA 121.095 -0.574 . . . . 62.42 111.921 -177.502 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 11.1 mm100 -97.56 138.66 34.64 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 120.819 0.342 . . . . 73.14 110.8 179.5 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 102' ' ' LYS . . . . . 0.567 ' HD3' ' HB2' ' A' ' 95' ' ' SER . 3.2 tmmm? -100.42 109.08 21.22 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 121.106 0.479 . . . . 74.1 109.774 -177.338 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 103' ' ' TYR . . . . . 0.424 ' CE1' ' HA ' ' A' ' 121' ' ' ALA . 67.5 m-85 -97.82 129.56 44.79 Favored 'General case' 0 C--N 1.315 -0.931 0 CA-C-N 115.561 -0.745 . . . . 74.23 109.844 -179.038 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.485 ' CD1' ' HB3' ' A' ' 95' ' ' SER . 14.2 tp -106.8 136.29 46.87 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.096 -0.502 . . . . 72.33 110.166 -176.598 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -127.02 129.86 6.69 Favored Glycine 0 N--CA 1.447 -0.582 0 C-N-CA 120.931 -0.652 . . . . 74.03 111.719 -179.323 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 106' ' ' GLN . . . . . 0.467 ' HA ' ' O ' ' A' ' 92' ' ' PHE . 24.7 mt-30 -124.09 114.74 20.1 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-O 120.814 0.34 . . . . 65.32 110.73 -176.094 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -137.04 -171.8 12.31 Favored Glycine 0 N--CA 1.449 -0.469 0 CA-C-N 115.969 -0.559 . . . . 73.31 112.195 -177.399 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 108' ' ' ARG . . . . . 0.537 ' HA ' ' O ' ' A' ' 90' ' ' PRO . 36.0 mmt180 -91.69 0.71 57.47 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.993 0.425 . . . . 75.3 111.315 -176.843 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 39.7 m -158.57 165.13 35.25 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 108.999 -0.741 . . . . 74.31 108.999 179.37 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 88.7 mttt -53.37 -43.22 67.63 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-O 121.245 0.545 . . . . 64.32 110.146 177.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 79.6 tttt -61.75 -53.13 60.19 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 114.909 -1.042 . . . . 75.12 111.176 -178.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 24.0 t -58.14 -49.4 81.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.045 -0.525 . . . . 75.12 110.704 -179.599 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -62.89 -37.71 88.02 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.97 -0.559 . . . . 72.14 111.5 -177.794 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 10.0 ttm180 -64.09 -50.53 67.96 Favored 'General case' 0 C--N 1.323 -0.543 0 CA-C-N 115.703 -0.68 . . . . 75.42 110.295 179.371 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 77.2 mt -56.24 -45.15 81.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 115.257 -0.883 . . . . 74.33 111.321 174.099 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -57.91 -45.21 86.85 Favored 'General case' 0 C--O 1.236 0.348 0 CA-C-O 120.783 0.325 . . . . 63.42 111.475 178.163 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 117' ' ' ALA . . . . . 0.498 ' HB1' HG12 ' A' ' 96' ' ' VAL . . . -61.32 -44.72 96.73 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.099 0.476 . . . . 73.54 110.631 178.776 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 118' ' ' ALA . . . . . 0.456 ' O ' ' HG ' ' A' ' 122' ' ' LEU . . . -67.82 -36.89 81.18 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.844 -0.616 . . . . 65.43 111.155 -179.616 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -62.67 -37.48 86.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.051 0.453 . . . . 72.25 110.495 178.687 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 29.6 m -64.0 -40.03 95.44 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.603 -0.726 . . . . 74.12 110.313 177.735 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 121' ' ' ALA . . . . . 0.424 ' HA ' ' CE1' ' A' ' 103' ' ' TYR . . . -64.92 -48.31 74.6 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.887 -0.597 . . . . 63.35 110.822 178.311 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 122' ' ' LEU . . . . . 0.456 ' HG ' ' O ' ' A' ' 118' ' ' ALA . 61.7 mt -57.78 -46.33 84.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.976 -0.556 . . . . 74.44 111.093 -178.922 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 123' ' ' ARG . . . . . 0.442 HH11 ' HD3' ' A' ' 123' ' ' ARG . 13.6 ptt180 -73.14 -10.91 60.28 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.426 -0.352 . . . . 75.24 111.162 -177.308 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 12.7 t -84.22 -26.3 28.81 Favored 'General case' 0 N--CA 1.449 -0.505 0 N-CA-C 109.647 -0.501 . . . . 72.34 109.647 174.619 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 125' ' ' PHE . . . . . 0.412 ' HB2' HD13 ' A' ' 126' ' ' ILE . 28.9 m-85 -86.26 -60.46 2.0 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.969 -0.559 . . . . 65.12 110.169 178.47 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 126' ' ' ILE . . . . . 0.432 HD13 ' H ' ' A' ' 126' ' ' ILE . 0.2 OUTLIER -128.5 -174.92 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 115.766 -0.652 . . . . 61.33 110.934 -173.731 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 18.0 pt20 -126.88 -146.86 0.34 Allowed 'General case' 0 C--N 1.318 -0.786 0 CA-C-N 115.794 -0.639 . . . . 71.02 110.498 178.864 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 61.3 m-85 70.58 81.9 0.16 Allowed 'General case' 0 N--CA 1.466 0.352 0 CA-C-O 121.561 0.696 . . . . 64.51 109.611 -174.811 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 51.9 mttm -98.26 120.69 39.11 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.326 -0.852 . . . . 63.21 111.465 -171.224 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -72.06 -55.37 7.49 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 109.667 -0.494 . . . . 73.12 109.667 174.077 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 80.48 10.04 85.76 Favored Glycine 0 N--CA 1.453 -0.201 0 C-N-CA 120.951 -0.642 . . . . 63.4 113.8 171.569 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -68.17 154.21 42.18 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 117.025 0.413 . . . . 51.22 110.98 178.659 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 45.3 t -84.64 96.15 4.5 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 CA-C-O 121.191 0.52 . . . . 23.12 110.537 -177.822 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 33.7 tp -92.83 -14.56 27.59 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.942 0.877 . . . . 71.32 109.678 175.776 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 58.1 m -163.92 161.59 16.8 Favored Pre-proline 0 C--N 1.31 -1.121 0 CA-C-N 114.17 -1.377 . . . . 73.22 108.751 -178.203 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 136' ' ' PRO . . . . . . . . . . . . . 30.8 Cg_endo -65.77 87.42 0.23 Allowed 'Trans proline' 0 C--O 1.235 0.371 0 C-N-CA 122.155 1.903 . . . . 74.13 111.536 174.795 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 3.9 pp -160.45 164.22 32.4 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.836 -0.62 . . . . 64.12 110.549 -177.89 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 138' ' ' LYS . . . . . 0.42 ' HA ' ' HD3' ' A' ' 139' ' ' PRO . 44.8 mmtm -120.0 110.32 36.59 Favored Pre-proline 0 C--N 1.323 -0.574 0 CA-C-N 116.288 -0.415 . . . . 54.43 110.105 176.823 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 139' ' ' PRO . . . . . 0.42 ' HD3' ' HA ' ' A' ' 138' ' ' LYS . 14.3 Cg_endo -83.87 128.84 4.58 Favored 'Trans proline' 0 N--CA 1.45 -1.03 0 C-N-CA 122.726 2.284 . . . . 74.2 112.093 -178.584 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.872 0 CA-C-O 118.622 -0.704 . . . . 62.35 110.1 178.045 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.541 ' O ' ' HD3' ' A' ' 50' ' ' PRO . 16.7 m . . . . . 0 N--CA 1.476 0.853 0 CA-C-O 120.7 0.286 . . . . 60.5 110.539 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -107.09 100.89 35.12 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 120.724 0.297 . . . . 75.34 111.611 -176.514 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.541 ' HD3' ' O ' ' A' ' 48' ' ' SER . 5.3 Cg_endo -88.06 18.18 1.56 Allowed 'Trans proline' 0 N--CA 1.455 -0.792 0 C-N-CA 123.303 2.669 . . . . 63.51 111.167 174.479 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -69.71 143.99 52.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.752 -0.658 . . . . 71.04 110.415 -179.354 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.682 ' HE3' ' HA ' ' A' ' 52' ' ' LYS . 0.0 OUTLIER -130.31 42.42 3.26 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.883 -0.598 . . . . 61.43 110.514 179.782 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.421 ' O ' HG12 ' A' ' 77' ' ' ILE . 66.8 mttm -74.79 53.79 0.6 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.87 -0.605 . . . . 71.31 111.046 178.23 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 26.4 ptt? -91.27 150.64 21.24 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 120.95 0.405 . . . . 71.51 110.151 -178.672 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 61.2 m -87.86 100.22 12.71 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 116.063 -0.517 . . . . 73.21 110.262 -178.18 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 76.3 tttt -75.99 87.27 2.92 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 109.823 -0.436 . . . . 71.42 109.823 177.43 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -106.49 109.95 22.02 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.966 -0.561 . . . . 60.24 110.203 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 21.2 mmt180 -128.43 102.76 6.78 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.942 -0.572 . . . . 75.24 110.356 179.009 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 33.9 pt -118.64 156.28 51.6 Favored Pre-proline 0 C--N 1.32 -0.682 0 CA-C-N 115.823 -0.626 . . . . 65.25 109.868 178.265 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 19.7 Cg_exo -66.77 161.56 41.4 Favored 'Trans proline' 0 N--CA 1.464 -0.255 0 C-N-CA 122.711 2.274 . . . . 60.12 111.547 174.616 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' GLN . . . . . 0.808 ' HB3' ' HE2' ' A' ' 63' ' ' LYS . 18.1 mm-40 66.81 86.74 0.13 Allowed Pre-proline 0 N--CA 1.465 0.284 0 O-C-N 123.605 0.565 . . . . 73.33 111.137 179.89 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 6.6 Cg_exo -74.94 45.58 1.36 Allowed 'Trans proline' 0 CA--C 1.532 0.376 0 C-N-CA 123.398 2.732 . . . . 53.33 112.757 -179.18 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.808 ' HE2' ' HB3' ' A' ' 61' ' ' GLN . 47.0 mtmt -83.57 -17.38 41.94 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.376 0.608 . . . . 54.14 110.049 179.367 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' ASN . . . . . 0.585 ' ND2' ' HB ' ' A' ' 66' ' ' VAL . 20.3 p-10 -93.14 141.43 28.43 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.37 -0.832 . . . . 63.0 110.743 179.538 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 40.8 p -59.81 -23.53 63.41 Favored 'General case' 0 C--N 1.316 -0.876 0 CA-C-N 114.674 -1.148 . . . . 64.01 111.328 179.215 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.585 ' HB ' ' ND2' ' A' ' 64' ' ' ASN . 65.7 t -57.6 -49.19 81.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 115.398 -0.819 . . . . 71.25 110.872 176.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.649 ' HA ' ' OD1' ' A' ' 70' ' ' ASN . . . -66.64 -32.41 73.72 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.079 0.466 . . . . 70.34 110.379 -179.786 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 78.7 mmm -60.71 -41.74 95.85 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.731 -0.668 . . . . 74.3 110.258 175.79 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.465 ' HB3' HD13 ' A' ' 76' ' ' LEU . 7.3 mt -64.14 -33.08 74.96 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.061 -0.518 . . . . 70.32 110.998 176.851 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 70' ' ' ASN . . . . . 0.649 ' OD1' ' HA ' ' A' ' 67' ' ' ALA . 12.1 m120 -62.45 -33.18 74.32 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.298 0.57 . . . . 74.22 109.949 -177.415 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -83.46 -24.51 31.78 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.173 -0.921 . . . . 74.51 110.759 -176.958 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 69.5 mt -85.85 -70.41 0.6 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.35 -0.386 . . . . 63.21 111.792 -177.107 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 7.0 mmm180 -133.21 141.27 47.98 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.64 -0.255 . . . . 73.5 110.619 -171.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 2.5 p-80 -94.57 176.88 6.12 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.483 -0.326 . . . . 72.45 110.141 175.657 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 85.76 9.12 78.68 Favored Glycine 0 N--CA 1.448 -0.511 0 C-N-CA 120.777 -0.725 . . . . 63.12 111.534 -177.117 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.8 ' H ' HD23 ' A' ' 76' ' ' LEU . 1.9 pt? -77.1 120.61 22.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.386 0.613 . . . . 72.13 111.152 -178.066 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.701 ' O ' ' HA ' ' A' ' 96' ' ' VAL . 2.9 mt -114.37 111.28 35.27 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-N 115.911 -0.586 . . . . 63.34 110.784 179.52 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 78' ' ' TYR . . . . . 0.469 ' CE2' HD12 ' A' ' 76' ' ' LEU . 98.8 m-85 -89.88 110.6 21.54 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.836 0.351 . . . . 74.11 110.086 174.525 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 38.8 pttt -132.91 130.14 39.26 Favored 'General case' 0 C--N 1.316 -0.875 0 CA-C-N 116.251 -0.431 . . . . 64.21 110.806 -179.21 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.536 HD21 ' HB2' ' A' ' 83' ' ' GLN . 28.2 tp -72.22 107.13 4.7 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 109.218 -0.66 . . . . 75.25 109.218 175.721 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -91.09 -22.26 20.81 Favored 'General case' 0 C--N 1.319 -0.721 0 C-N-CA 120.479 -0.488 . . . . 74.42 111.253 -176.82 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 49.2 m -151.95 141.73 21.92 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.724 -0.216 . . . . 74.35 110.64 179.35 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' GLN . . . . . 0.536 ' HB2' HD21 ' A' ' 80' ' ' LEU . 0.5 OUTLIER -135.64 104.82 5.93 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 109.405 -0.591 . . . . 70.45 109.405 177.499 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 3.6 p -135.52 -163.88 1.46 Allowed 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.695 -0.684 . . . . 71.14 110.527 -176.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' GLY . . . . . 0.409 ' HA3' ' H ' ' A' ' 91' ' ' LEU . . . 104.19 -174.43 22.2 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.898 -0.668 . . . . 25.2 112.99 171.08 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 59.1 Cg_endo -72.25 -178.58 3.35 Favored 'Trans proline' 0 N--CA 1.462 -0.327 0 C-N-CA 122.752 2.302 . . . . 74.02 111.824 177.11 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 13.4 p -95.98 -23.91 4.77 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 C-N-CA 120.535 -0.466 . . . . 62.24 110.553 179.212 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 36.5 p-80 -75.45 -25.54 57.54 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-O 120.801 0.334 . . . . 75.41 110.364 178.036 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.429 ' HB1' ' HD2' ' A' ' 108' ' ' ARG . . . -162.08 75.98 2.2 Favored Pre-proline 0 CA--C 1.518 -0.286 0 CA-C-N 116.151 -0.477 . . . . 65.4 110.168 -178.956 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 90' ' ' PRO . . . . . 0.577 ' O ' ' HA ' ' A' ' 108' ' ' ARG . 6.6 Cg_exo -64.13 151.23 86.21 Favored 'Trans proline' 0 N--CA 1.453 -0.907 0 C-N-CA 121.86 1.706 . . . . 70.22 111.971 -176.769 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.41 HD11 ' HB3' ' A' ' 106' ' ' GLN . 2.6 tm? -95.17 115.2 27.12 Favored 'General case' 0 N--CA 1.441 -0.917 0 N-CA-C 109.071 -0.715 . . . . 74.25 109.071 -179.537 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.434 ' O ' ' HA ' ' A' ' 106' ' ' GLN . 17.4 m-85 -101.95 132.15 47.93 Favored 'General case' 0 C--N 1.311 -1.072 0 CA-C-N 115.38 -0.827 . . . . 75.21 108.991 179.211 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 93' ' ' THR . . . . . 0.443 HG22 HD11 ' A' ' 104' ' ' LEU . 23.7 m -113.63 96.99 6.15 Favored 'General case' 0 N--CA 1.442 -0.867 0 CA-C-O 121.035 0.445 . . . . 62.54 109.988 -177.563 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 0.574 HG21 ' HA ' ' A' ' 114' ' ' ARG . 7.1 mm -95.07 127.77 46.77 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.862 0 CA-C-N 115.56 -0.746 . . . . 73.34 109.348 179.39 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 95' ' ' SER . . . . . 0.529 ' HB2' ' HD3' ' A' ' 102' ' ' LYS . 19.0 p -107.42 121.91 45.54 Favored 'General case' 0 C--N 1.306 -1.306 0 CA-C-N 115.453 -0.794 . . . . 72.44 109.344 177.747 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.701 ' HA ' ' O ' ' A' ' 77' ' ' ILE . 9.6 p -113.6 115.79 50.73 Favored 'Isoleucine or valine' 0 N--CA 1.439 -0.983 0 CA-C-O 121.821 0.82 . . . . 74.15 109.876 175.559 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 97' ' ' GLU . . . . . 0.538 ' HA ' ' HA ' ' A' ' 102' ' ' LYS . 5.4 tt0 -92.37 110.11 21.51 Favored 'General case' 0 C--N 1.307 -1.27 0 CA-C-N 115.336 -0.847 . . . . 74.41 109.391 -179.82 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 24.6 t -119.22 123.62 71.64 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.684 0 CA-C-N 115.493 -0.776 . . . . 64.32 110.491 -174.444 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 1.2 t70 59.72 17.29 6.2 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.468 -0.787 . . . . 71.11 111.402 178.896 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 104.92 -12.17 49.41 Favored Glycine 0 N--CA 1.449 -0.452 0 C-N-CA 121.007 -0.616 . . . . 43.52 112.685 -179.203 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 101' ' ' GLN . . . . . 0.453 ' HB3' ' CE2' ' A' ' 103' ' ' TYR . 1.4 tp-100 -100.44 124.91 46.58 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 109.766 -0.457 . . . . 63.23 109.766 -179.781 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 102' ' ' LYS . . . . . 0.538 ' HA ' ' HA ' ' A' ' 97' ' ' GLU . 5.2 tmmm? -88.44 109.26 19.88 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 121.119 0.485 . . . . 73.55 110.656 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 103' ' ' TYR . . . . . 0.453 ' CE2' ' HB3' ' A' ' 101' ' ' GLN . 86.2 m-85 -95.55 135.25 37.45 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.482 -0.781 . . . . 73.04 109.563 178.055 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.443 HD11 HG22 ' A' ' 93' ' ' THR . 12.1 tp -105.32 137.03 43.77 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 120.995 0.426 . . . . 63.23 111.031 -175.441 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 105' ' ' GLY . . . . . 0.524 ' HA3' ' N ' ' A' ' 117' ' ' ALA . . . -131.6 129.26 5.61 Favored Glycine 0 N--CA 1.445 -0.717 0 N-CA-C 111.415 -0.674 . . . . 53.41 111.415 178.055 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 106' ' ' GLN . . . . . 0.434 ' HA ' ' O ' ' A' ' 92' ' ' PHE . 28.3 mt-30 -120.46 116.13 24.83 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-O 120.911 0.386 . . . . 54.34 110.797 -175.038 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -133.67 -169.22 12.04 Favored Glycine 0 N--CA 1.446 -0.672 0 CA-C-N 115.697 -0.683 . . . . 71.43 111.792 -177.908 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 108' ' ' ARG . . . . . 0.577 ' HA ' ' O ' ' A' ' 90' ' ' PRO . 11.1 mmt180 -100.5 6.13 44.24 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.275 0.56 . . . . 73.23 110.866 -176.932 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 109' ' ' SER . . . . . 0.418 ' HB2' HG23 ' A' ' 112' ' ' VAL . 16.0 m -159.56 163.71 34.89 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 108.169 -1.049 . . . . 63.52 108.169 176.455 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 86.8 mttt -57.06 -41.15 78.23 Favored 'General case' 0 C--N 1.331 -0.222 0 N-CA-C 109.405 -0.591 . . . . 74.14 109.405 174.89 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 72.1 tttt -55.36 -53.53 55.0 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-N 114.982 -1.008 . . . . 72.31 110.544 177.859 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 112' ' ' VAL . . . . . 0.71 ' O ' ' HG2' ' A' ' 116' ' ' GLU . 24.6 t -62.17 -55.57 23.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 115.278 -0.874 . . . . 72.51 110.532 -178.946 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -56.68 -36.65 69.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.863 -0.608 . . . . 71.11 111.859 -175.405 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 114' ' ' ARG . . . . . 0.574 ' HA ' HG21 ' A' ' 94' ' ' ILE . 34.9 ttp180 -61.2 -48.07 83.22 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.956 -0.565 . . . . 74.11 110.227 178.294 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 69.4 mt -62.4 -46.41 96.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 115.452 -0.795 . . . . 72.13 111.402 175.238 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 116' ' ' GLU . . . . . 0.71 ' HG2' ' O ' ' A' ' 112' ' ' VAL . 12.8 mm-40 -60.08 -36.59 77.72 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.975 0.417 . . . . 75.11 111.34 -179.512 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 117' ' ' ALA . . . . . 0.614 ' HB1' HG12 ' A' ' 96' ' ' VAL . . . -63.04 -49.48 74.41 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.844 -0.617 . . . . 72.31 110.653 176.757 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 118' ' ' ALA . . . . . 0.525 ' O ' ' HG ' ' A' ' 122' ' ' LEU . . . -63.7 -31.96 73.29 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.373 -0.83 . . . . 71.52 110.922 179.58 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -60.82 -41.51 95.86 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.159 -0.473 . . . . 41.42 110.818 177.832 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 120' ' ' THR . . . . . 0.758 ' HA ' ' HE ' ' A' ' 123' ' ' ARG . 85.8 m -68.33 -38.62 81.72 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.034 0.445 . . . . 74.34 110.586 177.787 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -57.88 -50.51 73.08 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.937 -0.574 . . . . 72.41 110.859 177.009 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 122' ' ' LEU . . . . . 0.525 ' HG ' ' O ' ' A' ' 118' ' ' ALA . 75.8 mt -56.41 -52.62 63.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.994 -0.548 . . . . 75.53 111.089 -179.193 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 123' ' ' ARG . . . . . 0.758 ' HE ' ' HA ' ' A' ' 120' ' ' THR . 14.2 ptt180 -70.14 -6.26 32.91 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.266 -0.424 . . . . 65.44 111.862 -175.361 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -94.41 -21.24 19.06 Favored 'General case' 0 N--CA 1.448 -0.563 0 N-CA-C 109.658 -0.497 . . . . 74.12 109.658 175.488 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 28.7 m-85 -85.43 -44.54 12.66 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 61.1 110.455 177.753 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 126' ' ' ILE . . . . . 0.512 HD13 ' O ' ' A' ' 122' ' ' LEU . 0.2 OUTLIER -128.18 145.95 34.49 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-O 121.131 0.491 . . . . 72.35 110.327 176.826 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 7.7 mm100 -123.13 142.13 51.22 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 115.728 -0.669 . . . . 74.03 110.607 178.658 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 38.0 m-85 -97.66 -79.28 0.47 Allowed 'General case' 0 C--N 1.319 -0.738 0 N-CA-C 108.948 -0.76 . . . . 74.01 108.948 178.217 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 9.3 ptpp? 175.7 146.79 0.08 Allowed 'General case' 0 CA--C 1.519 -0.241 0 CA-C-N 115.611 -0.722 . . . . 74.1 109.808 173.887 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -97.32 -31.53 12.36 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 108.817 -0.808 . . . . 75.14 108.817 175.263 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 83.88 -33.03 3.13 Favored Glycine 0 N--CA 1.449 -0.49 0 CA-C-N 115.461 -0.791 . . . . 72.24 111.956 -179.37 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -97.55 143.24 28.44 Favored 'General case' 0 N--CA 1.445 -0.707 0 N-CA-C 110.006 -0.368 . . . . 74.42 110.006 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 24.2 m -86.4 134.44 27.37 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 CA-C-O 121.099 0.476 . . . . 70.52 110.8 -179.154 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -111.1 95.76 5.73 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.888 -0.596 . . . . 71.22 110.162 178.271 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 1.1 m -77.63 118.55 72.78 Favored Pre-proline 0 C--N 1.321 -0.638 0 CA-C-N 115.662 -0.699 . . . . 61.01 110.51 -175.317 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 136' ' ' PRO . . . . . . . . . . . . . 16.5 Cg_exo -68.32 101.38 0.72 Allowed 'Trans proline' 0 C--O 1.235 0.343 0 C-N-CA 122.595 2.196 . . . . 43.21 111.016 174.678 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 53.7 mt -126.25 169.27 13.05 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.159 -0.473 . . . . 60.4 110.113 -175.907 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 138' ' ' LYS . . . . . 0.704 ' HB3' ' HD3' ' A' ' 139' ' ' PRO . 3.9 tmtp? -92.92 -56.44 0.24 Allowed Pre-proline 0 C--N 1.322 -0.591 0 N-CA-C 109.757 -0.46 . . . . 75.13 109.757 175.961 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 139' ' ' PRO . . . . . 0.704 ' HD3' ' HB3' ' A' ' 138' ' ' LYS . 84.2 Cg_endo -90.56 54.57 1.2 Allowed 'Trans proline' 0 C--N 1.353 0.808 0 C-N-CA 122.204 1.936 . . . . 52.11 111.355 175.159 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.073 0 CA-C-N 115.529 -0.76 . . . . 65.3 111.046 -176.793 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 28.8 m . . . . . 0 N--CA 1.476 0.843 0 CA-C-O 120.555 0.217 . . . . 43.15 111.183 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.491 ' OD2' ' HB2' ' A' ' 51' ' ' LYS . 7.6 p-10 -153.49 164.24 21.14 Favored Pre-proline 0 C--N 1.329 -0.292 0 N-CA-C 109.76 -0.459 . . . . 61.3 109.76 -177.174 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo -53.25 -73.09 0.04 OUTLIER 'Trans proline' 0 C--N 1.35 0.631 0 C-N-CA 122.525 2.15 . . . . 75.32 111.907 177.863 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.491 ' HB2' ' OD2' ' A' ' 49' ' ' ASP . 1.7 tppp? 64.18 1.83 1.32 Allowed 'General case' 0 N--CA 1.47 0.571 0 N-CA-C 112.571 0.582 . . . . 75.22 112.571 172.368 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 2.9 ptpp? -92.28 77.72 5.17 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.394 0.616 . . . . 71.33 111.241 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 24.1 ttmm -90.62 126.06 35.84 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 108.643 -0.873 . . . . 62.42 108.643 173.854 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 52.4 ttm -54.31 -37.91 65.35 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.043 0.449 . . . . 73.32 111.466 -175.652 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 19.3 p -170.21 149.82 3.54 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.916 -0.584 . . . . 70.24 109.44 178.729 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 11.1 mptt -81.51 92.24 6.46 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 109.086 -0.709 . . . . 73.12 109.086 174.717 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -74.52 100.01 3.76 Favored 'General case' 0 N--CA 1.446 -0.668 0 N-CA-C 109.676 -0.49 . . . . 70.4 109.676 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 40.0 ttt180 -66.3 110.08 2.92 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.202 -0.908 . . . . 42.45 111.117 -177.134 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.413 ' HA ' ' HD3' ' A' ' 60' ' ' PRO . 35.5 pt -100.71 128.95 28.65 Favored Pre-proline 0 C--N 1.322 -0.618 0 CA-C-N 115.894 -0.594 . . . . 73.11 110.807 -179.635 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' PRO . . . . . 0.413 ' HD3' ' HA ' ' A' ' 59' ' ' ILE . 7.7 Cg_exo -73.33 -33.7 6.81 Favored 'Trans proline' 0 C--O 1.234 0.276 0 C-N-CA 122.584 2.19 . . . . 72.12 111.282 176.294 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' GLN . . . . . 0.416 ' CD ' ' HD2' ' A' ' 62' ' ' PRO . 55.3 tp60 -164.97 129.31 1.81 Allowed Pre-proline 0 C--N 1.324 -0.523 0 CA-C-N 115.214 -0.903 . . . . 60.22 108.941 -178.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' PRO . . . . . 0.435 ' HA ' ' HB3' ' A' ' 67' ' ' ALA . 58.3 Cg_endo -72.01 41.13 0.46 Allowed 'Trans proline' 0 CA--C 1.533 0.449 0 C-N-CA 122.707 2.271 . . . . 71.22 112.708 178.023 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -78.58 -21.73 48.18 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.202 0.525 . . . . 75.02 109.712 178.288 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 25.3 p-10 -90.61 140.34 29.85 Favored 'General case' 0 CA--C 1.511 -0.547 0 N-CA-C 108.924 -0.769 . . . . 70.23 108.924 171.785 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.416 HG21 ' HB2' ' A' ' 119' ' ' ALA . 41.5 p -64.07 -21.97 66.74 Favored 'General case' 0 C--N 1.311 -1.084 0 CA-C-N 114.991 -1.004 . . . . 74.31 111.436 -175.491 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 38.6 t -59.04 -46.69 91.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 115.653 -0.703 . . . . 73.35 110.471 177.812 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.435 ' HB3' ' HA ' ' A' ' 62' ' ' PRO . . . -66.89 -38.72 86.79 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.737 -0.665 . . . . 43.54 110.26 178.403 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 68' ' ' MET . . . . . 0.468 ' HB2' HD11 ' A' ' 122' ' ' LEU . 85.1 mmm -58.64 -44.01 89.93 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.576 -0.738 . . . . 73.53 111.053 178.686 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.742 ' HB3' HD13 ' A' ' 76' ' ' LEU . 1.0 OUTLIER -62.22 -35.64 79.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.98 -0.554 . . . . 73.52 111.245 -179.368 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 70' ' ' ASN . . . . . 0.445 ' ND2' HD11 ' A' ' 76' ' ' LEU . 22.8 m-80 -70.07 -22.69 63.03 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.284 0.564 . . . . 63.32 110.357 -178.768 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -81.13 -34.47 32.49 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.587 -0.733 . . . . 62.25 110.349 178.191 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 67.8 mt -81.4 -59.95 2.45 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.904 -0.589 . . . . 53.43 111.572 -177.584 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 27.2 mmm180 -129.85 164.98 22.95 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 110.219 -0.289 . . . . 74.0 110.219 -174.254 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 12.6 p-80 -119.78 164.37 16.08 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 109.541 -0.54 . . . . 74.43 109.541 175.217 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 85.79 31.53 20.79 Favored Glycine 0 N--CA 1.442 -0.937 0 C-N-CA 120.38 -0.914 . . . . 70.12 111.08 -177.755 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.823 ' H ' HD23 ' A' ' 76' ' ' LEU . 1.3 pt? -98.06 101.67 13.21 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.203 0.525 . . . . 75.33 110.397 -179.518 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 4.6 mp -102.01 110.8 29.71 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 CA-C-N 116.254 -0.43 . . . . 74.21 110.551 -178.349 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' TYR . . . . . 0.415 ' CE1' HD12 ' A' ' 76' ' ' LEU . 81.5 m-85 -86.22 129.3 34.89 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.286 -0.416 . . . . 73.15 109.902 176.133 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 13.8 ptpt -139.91 147.21 40.25 Favored 'General case' 0 C--N 1.32 -0.716 0 N-CA-C 110.008 -0.368 . . . . 75.23 110.008 179.224 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.504 HD22 ' HE2' ' A' ' 110' ' ' LYS . 44.9 tp -86.06 104.63 15.83 Favored 'General case' 0 C--N 1.319 -0.738 0 N-CA-C 109.327 -0.62 . . . . 71.15 109.327 175.677 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -90.39 -23.29 21.11 Favored 'General case' 0 C--N 1.325 -0.486 0 C-N-CA 120.187 -0.605 . . . . 74.3 111.71 -176.235 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 48.8 m -153.56 143.87 22.31 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.732 0.301 . . . . 73.51 110.829 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 22.1 tm0? -146.32 111.24 5.29 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 109.406 -0.59 . . . . 72.21 109.406 177.251 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 18.5 p -144.26 146.57 32.73 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.197 -0.456 . . . . 35.0 110.755 -178.404 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 137.05 -179.99 17.41 Favored Glycine 0 N--CA 1.448 -0.525 0 C-N-CA 120.177 -1.011 . . . . 61.42 113.3 173.376 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 40.0 Cg_endo -67.81 -178.2 1.54 Allowed 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 123.208 2.605 . . . . 73.1 112.336 177.467 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 7.6 p -89.33 -30.97 5.25 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-O 120.832 0.348 . . . . 64.53 111.115 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 32.3 p-80 -72.89 -28.08 62.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.048 0.452 . . . . 71.12 110.246 179.373 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -148.68 75.01 10.27 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-N 115.841 -0.618 . . . . 53.15 110.597 178.367 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 90' ' ' PRO . . . . . 0.575 ' O ' ' HA ' ' A' ' 108' ' ' ARG . 1.8 Cg_endo -78.5 134.56 12.54 Favored 'Trans proline' 0 N--CA 1.454 -0.798 0 C-N-CA 122.443 2.095 . . . . 74.53 111.087 177.932 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.457 HD21 ' HB3' ' A' ' 106' ' ' GLN . 3.2 tm? -92.63 113.89 26.3 Favored 'General case' 0 C--N 1.315 -0.909 0 CA-C-O 121.519 0.676 . . . . 60.15 109.997 -178.334 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.497 ' CE1' ' HB2' ' A' ' 90' ' ' PRO . 26.2 m-85 -100.85 134.34 43.97 Favored 'General case' 0 C--N 1.315 -0.911 0 CA-C-N 114.996 -1.002 . . . . 74.15 109.252 177.861 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 93' ' ' THR . . . . . 0.493 HG22 HD11 ' A' ' 104' ' ' LEU . 13.8 m -117.54 98.67 6.51 Favored 'General case' 0 N--CA 1.443 -0.823 0 N-CA-C 109.898 -0.408 . . . . 52.43 109.898 -178.297 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 0.443 HG21 ' HA ' ' A' ' 114' ' ' ARG . 7.5 mm -96.3 128.78 47.18 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.757 0 CA-C-N 115.684 -0.689 . . . . 63.42 109.927 -179.226 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 95' ' ' SER . . . . . 0.591 ' HB2' ' HD3' ' A' ' 102' ' ' LYS . 1.9 p -109.4 130.09 55.51 Favored 'General case' 0 C--N 1.311 -1.098 0 CA-C-N 115.664 -0.698 . . . . 73.45 110.382 177.827 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.51 HG12 ' HB1' ' A' ' 117' ' ' ALA . 7.7 p -122.96 124.93 71.43 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.843 0 CA-C-O 121.284 0.564 . . . . 65.33 109.939 176.642 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 7.4 tt0 -97.29 111.72 23.84 Favored 'General case' 0 C--N 1.313 -0.981 0 CA-C-N 115.915 -0.584 . . . . 75.52 109.499 -178.857 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 38.2 t -124.64 125.37 69.92 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 CA-C-N 115.941 -0.572 . . . . 64.14 110.605 -174.88 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 12.9 t70 61.21 7.47 1.66 Allowed 'General case' 0 N--CA 1.47 0.537 0 CA-C-N 115.649 -0.705 . . . . 51.11 111.895 178.676 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 113.55 -13.09 23.06 Favored Glycine 0 N--CA 1.447 -0.573 0 C-N-CA 120.732 -0.747 . . . . 74.13 112.317 -179.045 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 101' ' ' GLN . . . . . 0.53 ' HB3' ' CE2' ' A' ' 103' ' ' TYR . 8.7 tp60 -96.89 133.79 41.07 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 109.205 -0.665 . . . . 64.52 109.205 179.449 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 102' ' ' LYS . . . . . 0.591 ' HD3' ' HB2' ' A' ' 95' ' ' SER . 0.8 OUTLIER -96.62 106.2 18.43 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 121.205 0.526 . . . . 74.01 109.911 179.765 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 103' ' ' TYR . . . . . 0.53 ' CE2' ' HB3' ' A' ' 101' ' ' GLN . 86.8 m-85 -92.4 151.6 20.16 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.563 -0.744 . . . . 75.54 110.222 -178.799 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.493 HD11 HG22 ' A' ' 93' ' ' THR . 12.2 tp -123.16 139.16 54.35 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 120.881 0.372 . . . . 71.04 111.147 -175.03 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 105' ' ' GLY . . . . . 0.453 ' HA3' ' N ' ' A' ' 117' ' ' ALA . . . -133.87 133.26 6.81 Favored Glycine 0 N--CA 1.445 -0.743 0 N-CA-C 111.554 -0.618 . . . . 73.34 111.554 177.422 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 106' ' ' GLN . . . . . 0.467 ' HA ' ' O ' ' A' ' 92' ' ' PHE . 27.0 mt-30 -124.19 124.07 41.65 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 120.951 0.405 . . . . 73.42 110.96 -175.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -144.72 -179.75 21.32 Favored Glycine 0 C--O 1.227 -0.286 0 N-CA-C 111.022 -0.831 . . . . 72.42 111.022 -179.738 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 108' ' ' ARG . . . . . 0.575 ' HA ' ' O ' ' A' ' 90' ' ' PRO . 38.6 mmt-85 -83.76 4.53 28.55 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-N 117.539 0.669 . . . . 65.44 110.668 -179.048 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 67.1 m -160.83 161.33 31.89 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 109.406 -0.59 . . . . 65.34 109.406 -179.885 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 110' ' ' LYS . . . . . 0.504 ' HE2' HD22 ' A' ' 80' ' ' LEU . 97.0 mttt -54.02 -41.56 68.14 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-O 120.787 0.327 . . . . 71.32 110.466 177.074 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 81.0 tttt -54.64 -56.24 21.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.557 -0.747 . . . . 75.42 111.098 -179.776 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 48.0 t -65.19 -44.69 95.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 115.917 -0.583 . . . . 72.23 110.935 -178.094 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -61.43 -37.07 82.18 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.179 -0.464 . . . . 74.11 111.065 -178.477 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 114' ' ' ARG . . . . . 0.443 ' HA ' HG21 ' A' ' 94' ' ' ILE . 26.3 ttm180 -64.79 -46.28 82.72 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.968 -0.56 . . . . 72.31 110.296 178.658 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 82.6 mt -61.43 -48.75 87.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 115.567 -0.742 . . . . 74.22 110.882 177.007 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 14.1 mm-40 -59.92 -36.79 77.76 Favored 'General case' 0 C--N 1.321 -0.639 0 O-C-N 122.186 -0.321 . . . . 73.12 111.43 178.86 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 117' ' ' ALA . . . . . 0.51 ' HB1' HG12 ' A' ' 96' ' ' VAL . . . -61.51 -48.5 80.76 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.123 0.487 . . . . 64.42 110.275 176.038 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 118' ' ' ALA . . . . . 0.464 ' O ' ' HG ' ' A' ' 122' ' ' LEU . . . -66.47 -36.27 82.34 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.559 -0.746 . . . . 72.32 111.384 179.731 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 119' ' ' ALA . . . . . 0.416 ' HB2' HG21 ' A' ' 65' ' ' THR . . . -61.88 -38.39 88.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 74.04 110.441 178.62 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 22.8 m -64.01 -38.47 91.2 Favored 'General case' 0 N--CA 1.45 -0.436 0 CA-C-N 115.757 -0.656 . . . . 71.25 110.337 178.352 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -67.09 -47.35 71.49 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.084 -0.507 . . . . 72.4 110.716 177.914 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 122' ' ' LEU . . . . . 0.468 HD11 ' HB2' ' A' ' 68' ' ' MET . 42.6 mt -55.64 -49.65 72.3 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-N 116.179 -0.464 . . . . 60.34 111.089 -179.711 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 12.9 ptm180 -71.77 -13.14 61.62 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.907 -0.588 . . . . 63.15 111.53 -175.315 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 52.5 m -81.16 -29.91 34.56 Favored 'General case' 0 N--CA 1.438 -1.066 0 CA-C-O 121.043 0.449 . . . . 72.32 110.549 174.829 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 20.6 m-85 -81.6 -55.69 4.49 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.805 -0.634 . . . . 70.53 110.063 -178.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 126' ' ' ILE . . . . . 0.418 HD13 ' H ' ' A' ' 126' ' ' ILE . 0.2 OUTLIER -130.3 159.14 42.6 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.409 0 CA-C-O 121.333 0.587 . . . . 71.12 110.96 -177.811 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 127' ' ' GLN . . . . . 0.498 ' HG3' ' H ' ' A' ' 129' ' ' LYS . 60.6 tp60 -139.27 146.05 39.92 Favored 'General case' 0 C--N 1.315 -0.912 0 CA-C-N 115.342 -0.845 . . . . 72.24 109.463 -178.873 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 68.3 m-85 -109.6 25.64 11.56 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.283 0.563 . . . . 73.11 110.49 -175.224 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 129' ' ' LYS . . . . . 0.498 ' H ' ' HG3' ' A' ' 127' ' ' GLN . 0.0 OUTLIER -139.96 -72.51 0.37 Allowed 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.597 -0.728 . . . . 45.44 110.085 -179.305 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 60.37 25.48 15.01 Favored 'General case' 0 N--CA 1.467 0.411 0 CA-C-N 115.608 -0.724 . . . . 44.21 111.72 178.351 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . -80.66 55.67 4.71 Favored Glycine 0 N--CA 1.449 -0.473 0 N-CA-C 111.27 -0.732 . . . . 54.43 111.27 176.108 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -106.32 164.71 11.81 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 120.946 0.403 . . . . 43.54 110.885 -175.951 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 9.9 p -95.23 10.9 4.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-O 122.342 1.068 . . . . 74.54 109.68 178.96 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 47.8 tp -120.29 122.09 40.09 Favored 'General case' 0 C--N 1.315 -0.901 0 CA-C-N 114.575 -1.193 . . . . 55.11 110.482 -176.528 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 41.4 m -77.07 159.23 78.77 Favored Pre-proline 0 C--N 1.319 -0.756 0 CA-C-N 115.826 -0.625 . . . . 74.33 109.883 175.307 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 136' ' ' PRO . . . . . . . . . . . . . 22.6 Cg_exo -64.67 84.49 0.17 Allowed 'Trans proline' 0 C--N 1.347 0.451 0 C-N-CA 122.507 2.138 . . . . 60.51 111.542 175.87 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 87.0 mt -77.37 85.95 3.77 Favored 'General case' 0 N--CA 1.452 -0.356 0 CA-C-O 121.221 0.534 . . . . 74.2 110.759 -177.924 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.54 116.86 67.35 Favored Pre-proline 0 C--N 1.32 -0.706 0 CA-C-N 115.678 -0.692 . . . . 73.23 110.245 177.93 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 27.4 Cg_endo -65.04 -47.02 5.18 Favored 'Trans proline' 0 N--CA 1.464 -0.246 0 C-N-CA 122.47 2.113 . . . . 74.42 112.08 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.0 0 CA-C-O 118.438 -0.791 . . . . 53.45 110.256 179.128 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 20.2 m . . . . . 0 N--CA 1.478 0.931 0 CA-C-O 121.269 0.556 . . . . 61.01 110.401 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 18.8 p-10 -109.1 148.89 38.87 Favored Pre-proline 0 C--N 1.323 -0.568 0 CA-C-N 115.752 -0.658 . . . . 71.44 110.114 -178.884 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 88.6 Cg_endo -80.43 -172.72 1.6 Allowed 'Trans proline' 0 N--CA 1.462 -0.33 0 C-N-CA 122.545 2.163 . . . . 50.45 112.257 -178.692 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -76.88 65.76 2.63 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.638 0.732 . . . . 74.13 109.799 174.881 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 57.6 tptt -85.09 -26.13 27.12 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 114.697 -1.138 . . . . 73.43 109.719 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 11.1 ptmm? -121.44 124.14 43.77 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.231 -0.895 . . . . 72.31 110.448 -176.642 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 26.4 ptm -138.35 154.17 48.96 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.125 -0.489 . . . . 65.21 110.214 179.741 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 51.3 t -126.14 -40.82 1.97 Allowed 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.3 -0.409 . . . . 75.31 110.542 -178.613 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 58.1 tttp -96.41 132.79 41.58 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.111 -0.495 . . . . 64.23 110.085 178.463 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -143.38 -176.6 5.01 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 116.263 -0.426 . . . . 73.2 110.059 -179.294 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.476 ' O ' ' HD3' ' A' ' 60' ' ' PRO . 36.8 mtm180 -122.74 128.34 50.39 Favored 'General case' 0 C--N 1.32 -0.713 0 N-CA-C 110.029 -0.36 . . . . 73.02 110.029 179.354 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 56.0 mt -114.08 87.67 13.44 Favored Pre-proline 0 C--N 1.323 -0.55 0 CA-C-N 116.251 -0.431 . . . . 65.53 110.265 178.402 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' PRO . . . . . 0.476 ' HD3' ' O ' ' A' ' 58' ' ' ARG . 1.9 Cg_endo -82.83 -49.56 0.04 OUTLIER 'Trans proline' 0 N--CA 1.458 -0.605 0 C-N-CA 123.005 2.47 . . . . 75.21 111.753 176.955 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' GLN . . . . . 0.468 ' HA ' ' HD3' ' A' ' 62' ' ' PRO . 16.4 mm100 -113.49 149.31 41.39 Favored Pre-proline 0 C--N 1.323 -0.552 0 CA-C-N 115.628 -0.714 . . . . 75.21 110.485 -178.916 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' PRO . . . . . 0.468 ' HD3' ' HA ' ' A' ' 61' ' ' GLN . 10.0 Cg_exo -72.6 52.5 2.06 Favored 'Trans proline' 0 CA--C 1.531 0.343 0 C-N-CA 123.364 2.71 . . . . 44.13 112.464 178.904 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.793 ' HA ' ' HE3' ' A' ' 63' ' ' LYS . 0.8 OUTLIER -79.38 -23.58 43.22 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.279 0.562 . . . . 60.25 110.02 177.985 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 17.8 p30 -92.3 150.85 20.61 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.81 0.814 . . . . 70.44 110.821 177.955 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.512 ' HA ' ' HG3' ' A' ' 68' ' ' MET . 23.2 p -66.48 -25.08 66.53 Favored 'General case' 0 C--N 1.312 -1.045 0 CA-C-N 114.697 -1.138 . . . . 60.15 111.14 -179.686 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.468 HG11 ' HD2' ' A' ' 114' ' ' ARG . 4.1 m -66.65 -32.16 56.79 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-N 116.04 -0.527 . . . . 62.24 110.696 -178.931 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -76.0 -33.44 59.7 Favored 'General case' 0 N--CA 1.449 -0.477 0 N-CA-C 109.882 -0.414 . . . . 42.52 109.882 177.557 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' MET . . . . . 0.512 ' HG3' ' HA ' ' A' ' 65' ' ' THR . 21.6 mtp -63.52 -35.29 80.0 Favored 'General case' 0 C--N 1.332 -0.177 0 N-CA-C 109.707 -0.479 . . . . 64.3 109.707 176.697 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.646 ' HB3' HD13 ' A' ' 76' ' ' LEU . 6.2 mt -63.94 -38.88 92.7 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.072 -0.513 . . . . 64.44 110.967 175.649 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 28.6 m-80 -68.73 -20.94 64.41 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-O 121.381 0.61 . . . . 74.21 110.417 -179.253 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 27.7 mm-40 -80.04 -26.58 39.69 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.393 -0.821 . . . . 74.41 110.392 175.527 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.413 ' HG ' ' O ' ' A' ' 68' ' ' MET . 86.1 mt -95.82 -68.51 0.8 Allowed 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.753 -0.658 . . . . 70.12 111.537 -175.135 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 31.0 mmm180 -133.61 137.47 45.45 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.215 -0.448 . . . . 64.33 110.94 -170.618 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 3.4 p80 -88.21 174.54 8.15 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 110.042 -0.355 . . . . 63.11 110.042 175.446 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 79.52 32.66 37.16 Favored Glycine 0 N--CA 1.446 -0.693 0 C-N-CA 120.326 -0.94 . . . . 45.44 111.676 -178.432 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.814 ' H ' HD23 ' A' ' 76' ' ' LEU . 1.1 pt? -95.22 89.95 5.69 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.469 0.652 . . . . 55.42 110.344 179.842 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.476 ' O ' ' HA ' ' A' ' 96' ' ' VAL . 4.3 mp -92.48 105.94 17.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 116.066 -0.515 . . . . 53.45 110.839 -177.788 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 78' ' ' TYR . . . . . 0.446 ' CD1' ' HB ' ' A' ' 96' ' ' VAL . 92.1 m-85 -84.9 142.12 29.93 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 109.546 -0.539 . . . . 74.45 109.546 174.462 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 7.3 ptpp? -154.52 141.26 19.04 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 110.238 -0.282 . . . . 53.42 110.238 177.197 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.476 HD22 ' HE2' ' A' ' 110' ' ' LYS . 45.0 tp -80.15 99.39 7.75 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 109.243 -0.651 . . . . 75.11 109.243 175.88 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 2.6 pt-20 -87.79 -33.31 18.69 Favored 'General case' 0 C--N 1.323 -0.578 0 C-N-CA 120.701 -0.399 . . . . 73.14 111.12 -176.55 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' SER . . . . . 0.511 ' HB2' ' HB ' ' A' ' 93' ' ' THR . 18.1 m -139.07 142.2 38.18 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.309 -0.405 . . . . 75.3 110.261 -177.08 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 22.3 tm0? -149.07 112.17 4.91 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 109.53 -0.544 . . . . 71.12 109.53 177.003 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 24.4 p -141.53 160.03 41.0 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.124 -0.489 . . . . 63.11 110.794 -177.509 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 124.35 -179.96 15.96 Favored Glycine 0 N--CA 1.45 -0.431 0 C-N-CA 120.607 -0.806 . . . . 75.31 112.473 173.901 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 56.9 Cg_endo -70.94 176.21 7.98 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.934 2.423 . . . . 74.4 111.669 178.099 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 7.3 p -90.77 -19.89 7.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-O 121.097 0.475 . . . . 74.12 110.827 -178.666 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 26.2 p-80 -80.28 -24.23 40.19 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.039 0.447 . . . . 74.41 109.996 177.88 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -155.72 75.14 5.09 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-N 116.068 -0.514 . . . . 65.52 110.648 178.32 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 0.9 OUTLIER -77.91 164.09 27.91 Favored 'Trans proline' 0 N--CA 1.453 -0.871 0 C-N-CA 122.219 1.946 . . . . 64.31 112.042 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.53 HD11 ' HB3' ' A' ' 106' ' ' GLN . 2.6 tm? -118.59 117.07 27.99 Favored 'General case' 0 C--N 1.315 -0.929 0 CA-C-N 116.012 -0.54 . . . . 72.23 109.759 179.679 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.488 ' O ' ' HA ' ' A' ' 106' ' ' GLN . 18.4 m-85 -102.77 134.95 45.32 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-N 115.468 -0.787 . . . . 74.42 109.275 178.431 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 93' ' ' THR . . . . . 0.511 ' HB ' ' HB2' ' A' ' 82' ' ' SER . 27.7 m -118.47 107.52 13.9 Favored 'General case' 0 C--N 1.316 -0.864 0 CA-C-O 120.981 0.42 . . . . 72.1 110.631 -178.124 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 7.4 mm -100.54 127.2 53.85 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 CA-C-N 115.65 -0.704 . . . . 63.01 110.114 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 95' ' ' SER . . . . . 0.532 ' HB2' ' HD3' ' A' ' 102' ' ' LYS . 15.5 p -107.17 119.44 39.39 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-O 120.977 0.418 . . . . 44.34 110.313 175.684 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.487 HG12 ' HB1' ' A' ' 117' ' ' ALA . 7.8 p -113.75 132.63 62.18 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 N-CA-C 109.667 -0.494 . . . . 71.42 109.667 176.714 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 16.2 tt0 -110.82 112.73 24.78 Favored 'General case' 0 C--N 1.316 -0.867 0 N-CA-C 109.857 -0.423 . . . . 72.44 109.857 -176.828 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 98' ' ' VAL . . . . . 0.414 ' HB ' ' HE2' ' A' ' 103' ' ' TYR . 40.3 t -125.8 123.29 64.0 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.67 0 CA-C-N 115.771 -0.649 . . . . 72.31 110.535 -175.711 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 57.18 27.79 14.07 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.029 -0.987 . . . . 74.23 111.731 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 93.46 -14.67 64.75 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.789 -0.719 . . . . 72.52 112.556 179.779 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 8.0 mm-40 -94.14 121.1 35.28 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.801 0.334 . . . . 72.5 110.162 179.227 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 102' ' ' LYS . . . . . 0.539 ' NZ ' ' HB3' ' A' ' 102' ' ' LYS . 0.0 OUTLIER -91.19 115.7 28.23 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-N 116.401 -0.363 . . . . 74.11 110.042 178.707 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 103' ' ' TYR . . . . . 0.414 ' HE2' ' HB ' ' A' ' 98' ' ' VAL . 60.1 m-85 -101.08 138.29 38.31 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 115.598 -0.728 . . . . 71.23 109.524 178.678 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 12.6 tp -109.95 141.35 42.83 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 116.563 -0.29 . . . . 74.34 110.505 -176.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -136.62 137.57 9.16 Favored Glycine 0 N--CA 1.45 -0.381 0 N-CA-C 111.404 -0.679 . . . . 73.42 111.404 177.933 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 106' ' ' GLN . . . . . 0.53 ' HB3' HD11 ' A' ' 91' ' ' LEU . 19.5 mt-30 -124.9 126.05 44.91 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.829 0.314 . . . . 74.25 110.688 -176.245 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -146.87 -175.41 19.78 Favored Glycine 0 C--O 1.225 -0.416 0 C-N-CA 120.726 -0.749 . . . . 22.51 112.466 -177.559 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 26.0 mmt180 -84.2 -3.05 57.91 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-O 120.908 0.385 . . . . 74.34 111.884 -178.644 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 66.8 m -159.64 166.94 29.62 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 108.749 -0.834 . . . . 72.25 108.749 179.025 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 110' ' ' LYS . . . . . 0.476 ' HE2' HD22 ' A' ' 80' ' ' LEU . 96.3 mttt -55.0 -39.64 69.29 Favored 'General case' 0 C--N 1.332 -0.184 0 O-C-N 123.483 0.49 . . . . 72.2 110.206 177.102 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 78.3 tttt -60.32 -53.51 56.76 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.312 -0.858 . . . . 52.14 111.273 -179.582 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 112' ' ' VAL . . . . . 0.502 ' O ' ' HG2' ' A' ' 116' ' ' GLU . 35.0 t -60.22 -49.47 84.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 115.963 -0.562 . . . . 71.52 110.307 -178.829 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -62.64 -35.54 79.93 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.026 -0.534 . . . . 63.31 111.483 -177.887 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 114' ' ' ARG . . . . . 0.468 ' HD2' HG11 ' A' ' 66' ' ' VAL . 26.2 ttm180 -60.87 -47.94 84.06 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.122 -0.49 . . . . 73.05 109.908 176.783 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 64.5 mt -61.67 -47.66 92.28 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.349 0 CA-C-N 115.671 -0.695 . . . . 60.31 111.19 176.768 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 116' ' ' GLU . . . . . 0.502 ' HG2' ' O ' ' A' ' 112' ' ' VAL . 15.9 mm-40 -57.28 -43.46 83.12 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 121.012 0.434 . . . . 70.53 111.05 178.7 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 117' ' ' ALA . . . . . 0.487 ' HB1' HG12 ' A' ' 96' ' ' VAL . . . -61.8 -45.04 95.59 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-N 116.159 -0.473 . . . . 63.1 110.801 178.697 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 118' ' ' ALA . . . . . 0.492 ' O ' ' HG ' ' A' ' 122' ' ' LEU . . . -67.58 -30.6 70.26 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.958 -0.565 . . . . 70.55 111.168 -179.669 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -62.57 -41.44 98.93 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.078 0.465 . . . . 61.35 110.201 177.275 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 37.5 m -66.66 -35.03 79.18 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.664 -0.698 . . . . 73.13 110.533 176.779 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -64.33 -47.6 78.78 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.198 -0.455 . . . . 73.24 110.58 176.888 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 122' ' ' LEU . . . . . 0.492 ' HG ' ' O ' ' A' ' 118' ' ' ALA . 60.0 mt -57.76 -50.0 74.7 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.162 -0.472 . . . . 61.43 111.188 -179.58 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 123' ' ' ARG . . . . . 0.465 ' HA ' ' O ' ' A' ' 126' ' ' ILE . 16.6 ptm180 -67.21 -14.21 62.69 Favored 'General case' 0 N--CA 1.466 0.35 0 CA-C-N 116.262 -0.426 . . . . 73.25 111.327 -176.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 32.5 t -79.05 -31.9 44.68 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.171 -0.468 . . . . 54.14 110.14 176.103 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 59.5 m-85 -86.16 -49.19 7.93 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.078 -0.51 . . . . 74.12 110.212 -179.34 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 126' ' ' ILE . . . . . 0.465 ' O ' ' HA ' ' A' ' 123' ' ' ARG . 0.2 OUTLIER -135.27 146.04 30.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 115.853 -0.612 . . . . 74.15 109.922 179.883 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 1.6 tm0? -109.66 129.54 55.59 Favored 'General case' 0 C--N 1.32 -0.69 0 N-CA-C 109.88 -0.415 . . . . 71.33 109.88 -177.493 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 128' ' ' PHE . . . . . 0.457 ' HE1' HG13 ' A' ' 126' ' ' ILE . 27.4 m-85 -129.01 177.71 6.92 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.415 0.626 . . . . 75.02 111.47 -178.847 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 62.5 tttp -126.93 112.72 15.61 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.429 -0.805 . . . . 65.4 109.566 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -105.64 -36.74 6.99 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.158 0.504 . . . . 72.02 110.399 -178.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 101.93 -31.7 8.39 Favored Glycine 0 N--CA 1.447 -0.584 0 N-CA-C 111.175 -0.77 . . . . 62.12 111.175 -176.008 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -64.57 130.91 45.44 Favored 'General case' 0 N--CA 1.45 -0.473 0 CA-C-N 115.339 -0.431 . . . . 70.43 110.613 177.335 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 46.8 t -84.16 118.25 31.13 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.662 0 CA-C-N 116.252 -0.431 . . . . 74.21 110.218 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 49.2 tp -107.0 94.4 5.08 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.188 0.518 . . . . 65.31 110.236 -179.785 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 31.8 p -153.68 159.05 32.54 Favored Pre-proline 0 C--N 1.322 -0.594 0 CA-C-N 115.546 -0.752 . . . . 54.4 109.446 -179.569 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 136' ' ' PRO . . . . . . . . . . . . . 58.4 Cg_endo -72.53 70.35 3.34 Favored 'Trans proline' 0 C--N 1.344 0.326 0 C-N-CA 122.381 2.054 . . . . 62.33 112.602 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 78.8 mt -72.44 -41.27 66.35 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 109.426 -0.583 . . . . 74.05 109.426 176.46 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 29.0 mtpp -108.84 107.08 59.79 Favored Pre-proline 0 C--N 1.325 -0.473 0 CA-C-N 115.36 -0.836 . . . . 74.13 109.819 173.77 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 1.3 Cg_endo -82.86 -158.37 0.09 OUTLIER 'Trans proline' 0 N--CA 1.456 -0.712 0 C-N-CA 123.109 2.539 . . . . 63.52 111.352 178.254 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 140' ' ' ALA . . . . . 0.513 ' HB2' ' HB2' ' A' ' 91' ' ' LEU . . . . . . . . 0 C--O 1.246 0.906 0 CA-C-O 118.913 -0.565 . . . . 71.33 109.875 176.26 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 19.8 m . . . . . 0 N--CA 1.478 0.967 0 CA-C-O 120.85 0.357 . . . . 72.44 110.071 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 7.7 p-10 -127.37 117.58 21.55 Favored Pre-proline 0 C--N 1.325 -0.483 0 CA-C-O 121.097 0.475 . . . . 73.24 111.173 -178.539 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 8.0 Cg_exo -72.83 96.57 0.85 Allowed 'Trans proline' 0 N--CA 1.46 -0.481 0 C-N-CA 123.074 2.516 . . . . 70.44 111.044 174.11 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.54 ' HB3' ' NZ ' ' A' ' 51' ' ' LYS . 6.2 ttpm? -126.0 106.88 9.93 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.646 -0.706 . . . . 52.32 110.33 -172.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 37.5 mtmt -88.13 48.72 1.68 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.169 -0.469 . . . . 63.13 111.64 -176.194 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.421 ' HE2' ' HB2' ' A' ' 53' ' ' LYS . 21.0 ttmm -78.82 106.01 10.53 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 108.773 -0.825 . . . . 54.45 108.773 175.536 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 64.2 mtt -67.08 111.82 4.07 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.245 -0.889 . . . . 64.14 111.867 -169.402 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 21.2 p -110.4 146.32 36.04 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.476 -0.784 . . . . 54.03 109.784 174.643 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.411 ' HB2' ' HE3' ' A' ' 56' ' ' LYS . 35.1 ttmt -76.9 121.16 23.03 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 108.352 -0.981 . . . . 73.53 108.352 174.372 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.759 ' HB3' HG12 ' A' ' 59' ' ' ILE . 71.4 mm-40 -48.28 -65.69 0.53 Allowed 'General case' 0 C--O 1.235 0.3 0 O-C-N 123.784 0.677 . . . . 53.52 112.134 -170.924 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 5.4 tpt180 61.11 26.49 16.4 Favored 'General case' 0 C--O 1.234 0.259 0 O-C-N 123.458 0.474 . . . . 72.22 110.232 178.116 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.759 HG12 ' HB3' ' A' ' 57' ' ' GLU . 49.2 mm -62.76 127.87 91.04 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 115.364 -0.835 . . . . 74.34 111.843 -173.583 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 39.7 Cg_endo -68.08 137.06 39.74 Favored 'Trans proline' 0 C--O 1.236 0.424 0 C-N-CA 122.649 2.232 . . . . 75.31 111.726 174.912 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 4.2 mp0 65.76 98.09 0.04 OUTLIER Pre-proline 0 C--O 1.236 0.361 0 O-C-N 123.647 0.592 . . . . 63.32 111.086 -178.672 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 7.0 Cg_exo -74.73 -142.27 0.02 OUTLIER 'Trans proline' 0 C--N 1.345 0.369 0 C-N-CA 123.786 2.991 . . . . 71.44 112.397 -178.737 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 38.2 mtpt 68.86 30.5 4.67 Favored 'General case' 0 N--CA 1.467 0.385 0 CA-C-O 121.263 0.554 . . . . 75.5 110.334 178.199 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' ASN . . . . . 0.426 ' ND2' ' HB ' ' A' ' 66' ' ' VAL . 17.9 p-10 -102.84 142.06 34.6 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 122.185 0.993 . . . . 70.33 112.394 -174.898 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 40.0 p -63.23 -21.75 66.42 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 114.099 -1.41 . . . . 71.12 111.137 178.917 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.426 ' HB ' ' ND2' ' A' ' 64' ' ' ASN . 60.9 t -59.73 -44.17 93.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 115.42 -0.809 . . . . 42.42 110.812 177.412 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.403 ' O ' ' HG3' ' A' ' 71' ' ' GLU . . . -65.54 -40.43 92.89 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.194 0.521 . . . . 72.02 109.864 177.821 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 68' ' ' MET . . . . . 0.442 ' HB2' HD11 ' A' ' 122' ' ' LEU . 76.1 mmm -56.78 -47.32 80.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.295 -0.866 . . . . 64.4 110.761 176.32 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.52 ' HB3' HD13 ' A' ' 76' ' ' LEU . 0.7 OUTLIER -59.39 -37.42 77.93 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.764 -0.653 . . . . 74.23 111.778 -179.421 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 15.0 m-80 -67.5 -21.58 65.49 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.941 0.4 . . . . 73.32 110.893 -178.688 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.403 ' HG3' ' O ' ' A' ' 67' ' ' ALA . 61.9 mt-10 -79.91 -32.68 40.19 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.095 -0.502 . . . . 73.52 110.566 175.453 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 79.8 mt -85.72 -67.36 0.81 Allowed 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.137 -0.483 . . . . 71.12 112.071 -174.347 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' ARG . . . . . 0.401 HH11 ' HD3' ' A' ' 73' ' ' ARG . 6.8 tpp180 -136.59 108.88 7.29 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.339 -0.392 . . . . 60.15 110.348 -175.112 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 74' ' ' HIS . . . . . 0.521 ' HA ' HD22 ' A' ' 76' ' ' LEU . 2.8 p-80 -81.92 170.68 15.34 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.973 -0.558 . . . . 74.45 109.759 176.196 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 90.72 23.75 29.83 Favored Glycine 0 N--CA 1.443 -0.891 0 N-CA-C 109.956 -1.258 . . . . 64.4 109.956 -169.232 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.906 ' H ' HD23 ' A' ' 76' ' ' LEU . 1.8 pt? -96.88 107.98 20.59 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 114.604 -0.798 . . . . 74.12 110.283 -178.368 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 4.7 mp -103.36 110.18 29.09 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.744 0 CA-C-N 116.144 -0.48 . . . . 73.04 110.503 -179.133 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' TYR . . . . . 0.461 ' CD2' ' HB ' ' A' ' 96' ' ' VAL . 93.8 m-85 -85.0 124.77 32.08 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.24 -0.436 . . . . 71.13 109.836 176.237 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 79' ' ' LYS . . . . . 0.405 ' HG2' ' O ' ' A' ' 95' ' ' SER . 13.7 ptpt -131.98 131.5 42.63 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 120.917 0.389 . . . . 71.1 110.328 -178.438 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 50.1 tp -79.43 101.02 7.94 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 109.027 -0.731 . . . . 64.4 109.027 176.492 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -89.24 -31.4 17.91 Favored 'General case' 0 C--N 1.322 -0.629 0 C-N-CA 120.755 -0.378 . . . . 74.31 111.799 -173.799 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 32.5 m -145.84 130.96 18.36 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 120.852 0.358 . . . . 65.13 110.865 -176.423 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 21.6 tm0? -132.99 108.69 9.05 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 109.531 -0.544 . . . . 74.33 109.531 174.287 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 18.7 p -142.92 141.53 31.5 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.068 -0.514 . . . . 62.1 110.595 -178.079 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 139.63 160.93 8.52 Favored Glycine 0 N--CA 1.445 -0.714 0 C-N-CA 120.824 -0.703 . . . . 71.11 111.919 177.36 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 33.1 Cg_endo -64.78 170.26 10.32 Favored 'Trans proline' 0 C--O 1.225 -0.143 0 C-N-CA 123.136 2.557 . . . . 73.1 112.22 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 12.6 p -71.41 -25.93 25.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-O 120.765 0.316 . . . . 72.24 111.156 -178.615 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 34.0 p-80 -83.02 -26.2 31.43 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 120.734 0.302 . . . . 74.21 110.833 -178.882 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -148.69 72.79 10.6 Favored Pre-proline 0 C--N 1.326 -0.44 0 CA-C-O 120.837 0.351 . . . . 73.05 110.963 179.302 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 90' ' ' PRO . . . . . 0.482 ' O ' ' HA ' ' A' ' 108' ' ' ARG . 66.2 Cg_endo -82.59 144.93 12.85 Favored 'Trans proline' 0 N--CA 1.456 -0.73 0 C-N-CA 122.333 2.022 . . . . 74.13 112.177 178.531 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -107.48 118.15 35.97 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.86 -0.609 . . . . 64.34 109.551 179.767 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.429 ' O ' ' HA ' ' A' ' 106' ' ' GLN . 46.0 m-85 -103.89 133.21 49.25 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 115.361 -0.836 . . . . 72.11 109.277 178.411 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 93' ' ' THR . . . . . 0.42 HG22 HD11 ' A' ' 104' ' ' LEU . 18.4 m -119.02 105.21 11.21 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-O 120.904 0.383 . . . . 53.32 110.639 -177.853 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 5.9 mm -104.21 125.23 58.99 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.666 0 CA-C-N 115.716 -0.675 . . . . 54.13 109.585 178.947 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 95' ' ' SER . . . . . 0.483 ' HB2' ' HD3' ' A' ' 102' ' ' LYS . 0.3 OUTLIER -105.12 128.7 53.49 Favored 'General case' 0 C--N 1.314 -0.954 0 N-CA-C 109.955 -0.387 . . . . 72.3 109.955 174.539 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.561 HG12 ' HB1' ' A' ' 117' ' ' ALA . 11.8 p -116.29 128.23 73.67 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.844 0 CA-C-O 121.416 0.627 . . . . 63.51 110.004 177.462 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 18.5 tt0 -100.36 112.28 24.61 Favored 'General case' 0 C--N 1.313 -1.015 0 CA-C-N 115.642 -0.708 . . . . 63.43 109.277 179.488 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 98' ' ' VAL . . . . . 0.414 ' C ' ' H ' ' A' ' 100' ' ' GLY . 15.3 t -124.37 123.43 66.31 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.772 0 CA-C-N 115.537 -0.756 . . . . 53.24 110.041 -174.193 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 18.2 t70 66.73 -9.79 0.33 Allowed 'General case' 0 N--CA 1.474 0.771 0 CA-C-O 121.345 0.593 . . . . 74.42 111.918 -178.389 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 100' ' ' GLY . . . . . 0.414 ' H ' ' C ' ' A' ' 98' ' ' VAL . . . 118.22 -2.3 16.52 Favored Glycine 0 C--N 1.317 -0.504 0 N-CA-C 111.427 -0.669 . . . . 52.35 111.427 -173.73 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 101' ' ' GLN . . . . . 0.489 ' HB3' ' CE2' ' A' ' 103' ' ' TYR . 4.4 tp60 -99.48 135.6 40.65 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 108.829 -0.804 . . . . 64.53 108.829 175.277 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 102' ' ' LYS . . . . . 0.483 ' HD3' ' HB2' ' A' ' 95' ' ' SER . 0.0 OUTLIER -102.63 113.92 27.7 Favored 'General case' 0 C--N 1.315 -0.893 0 CA-C-O 121.199 0.523 . . . . 75.43 110.289 -177.404 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 103' ' ' TYR . . . . . 0.489 ' CE2' ' HB3' ' A' ' 101' ' ' GLN . 63.4 m-85 -104.94 139.32 39.83 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.573 -0.739 . . . . 74.22 109.977 178.786 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.42 HD11 HG22 ' A' ' 93' ' ' THR . 13.3 tp -108.1 143.03 37.39 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.824 0.345 . . . . 71.32 110.869 -176.313 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -132.52 128.35 5.16 Favored Glycine 0 N--CA 1.447 -0.615 0 N-CA-C 111.375 -0.69 . . . . 20.02 111.375 176.785 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 106' ' ' GLN . . . . . 0.429 ' HA ' ' O ' ' A' ' 92' ' ' PHE . 27.3 mt-30 -124.14 113.36 18.24 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 121.122 0.487 . . . . 65.1 110.666 -176.093 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -135.47 -177.3 14.87 Favored Glycine 0 N--CA 1.45 -0.422 0 CA-C-N 115.784 -0.644 . . . . 55.01 112.013 -177.148 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 108' ' ' ARG . . . . . 0.482 ' HA ' ' O ' ' A' ' 90' ' ' PRO . 11.5 mmt85 -92.38 6.71 45.92 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.469 0.652 . . . . 75.5 110.743 -176.806 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 109' ' ' SER . . . . . 0.499 ' HB2' HG23 ' A' ' 112' ' ' VAL . 15.9 m -156.44 162.29 40.01 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 108.671 -0.863 . . . . 64.14 108.671 178.829 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -61.98 -37.58 85.31 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.13 0.49 . . . . 70.3 110.458 -179.407 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 79.9 tttt -66.67 -49.93 64.53 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.621 -0.718 . . . . 74.41 110.446 179.552 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 112' ' ' VAL . . . . . 0.499 HG23 ' HB2' ' A' ' 109' ' ' SER . 46.7 t -54.87 -51.34 53.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 115.817 -0.629 . . . . 71.21 110.629 177.497 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -59.29 -41.48 89.08 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.873 -0.603 . . . . 71.43 111.337 -178.215 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 11.2 ttm180 -61.57 -42.89 99.51 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.154 -0.475 . . . . 72.33 110.47 178.222 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 65.2 mt -66.91 -44.34 88.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-N 115.819 -0.628 . . . . 74.14 111.563 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 116' ' ' GLU . . . . . 0.406 ' HG2' ' O ' ' A' ' 112' ' ' VAL . 7.3 mm-40 -60.21 -37.35 80.01 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.79 0.328 . . . . 75.03 111.16 178.136 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 117' ' ' ALA . . . . . 0.561 ' HB1' HG12 ' A' ' 96' ' ' VAL . . . -64.53 -43.19 94.8 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.174 0.512 . . . . 65.31 110.367 177.422 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 118' ' ' ALA . . . . . 0.482 ' O ' ' HG ' ' A' ' 122' ' ' LEU . . . -69.67 -35.55 75.25 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.759 -0.655 . . . . 73.52 111.343 -179.693 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -61.62 -40.83 96.25 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.115 0.483 . . . . 74.12 110.477 179.562 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 120' ' ' THR . . . . . 0.446 ' O ' ' HG2' ' A' ' 123' ' ' ARG . 32.0 m -63.86 -38.64 91.86 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.548 -0.751 . . . . 73.54 110.686 177.448 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -65.68 -47.92 73.81 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.244 -0.435 . . . . 54.12 110.932 177.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 122' ' ' LEU . . . . . 0.482 ' HG ' ' O ' ' A' ' 118' ' ' ALA . 61.7 mt -55.18 -49.89 70.75 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.299 -0.409 . . . . 73.33 111.196 -179.226 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 123' ' ' ARG . . . . . 0.446 ' HG2' ' O ' ' A' ' 120' ' ' THR . 25.1 ptt180 -66.92 -19.11 65.67 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.134 -0.484 . . . . 74.42 110.977 -176.016 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 74.1 m -80.67 -25.09 38.46 Favored 'General case' 0 N--CA 1.438 -1.026 0 CA-C-N 116.062 -0.517 . . . . 71.44 111.032 178.031 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 18.6 m-85 -87.49 -51.17 6.07 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 109.534 -0.543 . . . . 74.34 109.534 177.508 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 126' ' ' ILE . . . . . 0.468 HD13 ' H ' ' A' ' 126' ' ' ILE . 0.2 OUTLIER -134.63 134.68 54.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.039 -0.528 . . . . 52.23 109.745 176.349 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 127' ' ' GLN . . . . . 0.439 ' CD ' ' H ' ' A' ' 127' ' ' GLN . 3.9 pm0 -106.77 117.94 35.37 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-O 121.599 0.714 . . . . 65.12 110.824 -176.796 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 5.5 m-85 -109.82 14.44 23.21 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 121.672 0.748 . . . . 75.11 109.024 173.352 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 14.1 mmmt -150.07 158.06 43.77 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 114.574 -1.194 . . . . 61.35 109.776 -179.1 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -49.3 -39.27 30.49 Favored 'General case' 0 C--N 1.327 -0.371 0 O-C-N 123.763 0.664 . . . . 70.51 111.729 173.394 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 85.79 20.27 56.28 Favored Glycine 0 N--CA 1.443 -0.87 0 N-CA-C 111.201 -0.76 . . . . 62.14 111.201 -179.04 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -87.83 119.6 28.33 Favored 'General case' 0 N--CA 1.448 -0.543 0 CA-C-O 121.42 0.629 . . . . 73.34 110.649 -179.804 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 48.9 t -127.22 140.19 49.8 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.813 0 CA-C-N 115.371 -0.831 . . . . 61.45 109.529 -177.209 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 45.0 tp -80.58 90.46 5.73 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 121.221 0.534 . . . . 72.32 110.178 178.945 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 135' ' ' SER . . . . . 0.433 ' HA ' ' HD3' ' A' ' 136' ' ' PRO . 45.1 m -62.77 140.07 97.19 Favored Pre-proline 0 C--N 1.317 -0.812 0 CA-C-N 115.491 -0.777 . . . . 72.45 109.877 174.962 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 136' ' ' PRO . . . . . 0.433 ' HD3' ' HA ' ' A' ' 135' ' ' SER . 19.9 Cg_exo -65.49 97.72 0.32 Allowed 'Trans proline' 0 N--CA 1.463 -0.323 0 C-N-CA 122.433 2.089 . . . . 75.1 111.897 179.535 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 137' ' ' LEU . . . . . 0.535 ' O ' ' HD3' ' A' ' 139' ' ' PRO . 76.9 mt -84.75 99.05 10.6 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 109.308 -0.627 . . . . 71.22 109.308 179.263 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 23.6 tptm -112.57 92.45 19.89 Favored Pre-proline 0 C--N 1.323 -0.546 0 CA-C-N 116.257 -0.429 . . . . 73.5 111.129 -172.683 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 139' ' ' PRO . . . . . 0.535 ' HD3' ' O ' ' A' ' 137' ' ' LEU . 96.7 Cg_endo -98.19 -167.37 0.1 OUTLIER 'Trans proline' 0 N--CA 1.448 -1.169 0 C-N-CA 123.422 2.748 . . . . 71.33 111.587 175.599 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.052 0 CA-C-O 118.965 -0.541 . . . . 71.33 110.118 177.345 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 22.0 t . . . . . 0 N--CA 1.478 0.963 0 CA-C-O 120.842 0.353 . . . . 54.1 110.424 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 25.8 t0 -85.64 105.9 8.15 Favored Pre-proline 0 CA--C 1.532 0.276 0 N-CA-C 109.353 -0.61 . . . . 70.12 109.353 -179.77 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 69.6 Cg_endo -88.47 30.13 0.44 Allowed 'Trans proline' 0 CA--C 1.531 0.334 0 C-N-CA 123.322 2.681 . . . . 75.31 114.741 -166.81 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 11.9 mtpt -81.13 81.36 7.36 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.271 0.558 . . . . 72.34 109.555 172.644 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 19.1 ptmt -86.01 92.15 8.61 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.735 0.779 . . . . 74.31 111.876 -173.61 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 3.5 ptmm? -104.72 99.3 8.96 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.532 -0.758 . . . . 74.21 109.74 173.746 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 26.2 ptt? -72.14 -24.93 61.53 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.992 -0.549 . . . . 73.41 111.329 -176.047 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 48.0 t -147.39 154.82 41.34 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.846 0.355 . . . . 64.34 110.916 -177.238 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 26.3 tttm -95.42 -66.13 0.93 Allowed 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.665 -0.698 . . . . 74.31 109.344 178.864 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -139.02 144.16 38.75 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 109.625 -0.509 . . . . 53.31 109.625 168.874 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.537 ' HG2' HG13 ' A' ' 59' ' ' ILE . 0.0 OUTLIER -138.08 -31.42 0.77 Allowed 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.221 -0.445 . . . . 75.33 110.929 -176.809 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.537 HG13 ' HG2' ' A' ' 58' ' ' ARG . 69.7 mt -104.76 128.01 27.69 Favored Pre-proline 0 C--N 1.325 -0.463 0 N-CA-C 109.732 -0.47 . . . . 75.2 109.732 178.439 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 20.1 Cg_endo -59.87 178.14 0.41 Allowed 'Trans proline' 0 C--N 1.347 0.454 0 C-N-CA 123.461 2.774 . . . . 75.1 112.551 179.018 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' GLN . . . . . 0.772 ' HG2' HD13 ' A' ' 115' ' ' ILE . 31.7 tp60 -145.56 112.81 4.66 Favored Pre-proline 0 C--N 1.326 -0.445 0 CA-C-O 120.677 0.275 . . . . 75.25 111.509 -176.579 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' PRO . . . . . 0.458 ' HD2' ' HA ' ' A' ' 61' ' ' GLN . 18.2 Cg_endo -61.62 148.17 93.66 Favored 'Trans proline' 0 C--O 1.234 0.286 0 C-N-CA 122.43 2.087 . . . . 50.43 111.243 169.829 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.405 ' HE3' ' HB2' ' A' ' 63' ' ' LYS . 20.4 ptmt 43.88 51.07 6.94 Favored 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 124.04 0.936 . . . . 74.02 112.194 -176.821 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 50.1 t-20 -57.73 117.8 4.62 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.44 -0.8 . . . . 60.41 110.435 177.563 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 43.1 p -71.41 -27.98 63.68 Favored 'General case' 0 C--N 1.315 -0.893 0 CA-C-N 115.436 -0.802 . . . . 74.43 111.449 -178.282 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 58.2 t -64.96 -42.11 93.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-O 121.39 0.614 . . . . 73.21 109.578 177.396 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.58 ' O ' ' HG3' ' A' ' 71' ' ' GLU . . . -63.17 -40.03 96.35 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.224 -0.898 . . . . 42.25 109.88 176.193 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 58.4 mmm -60.46 -46.08 91.36 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.591 -0.731 . . . . 72.44 110.786 177.468 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.584 ' HB3' HD13 ' A' ' 76' ' ' LEU . 0.9 OUTLIER -60.62 -38.03 83.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.073 -0.512 . . . . 74.02 111.491 -178.054 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 25.0 m-80 -65.5 -28.21 69.03 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.068 0.461 . . . . 55.31 110.445 179.862 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.58 ' HG3' ' O ' ' A' ' 67' ' ' ALA . 30.3 mt-10 -77.33 -41.46 40.41 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.858 -0.61 . . . . 75.22 110.336 177.881 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 75.8 mt -68.13 -59.49 3.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.923 -0.58 . . . . 72.43 111.573 -178.49 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 24.6 mmm180 -131.1 170.77 14.08 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.149 0.5 . . . . 74.24 111.409 -174.178 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 7.6 p-80 -122.76 155.02 37.37 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.612 -0.722 . . . . 72.43 109.167 173.55 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 92.72 36.91 5.94 Favored Glycine 0 N--CA 1.444 -0.781 0 C-N-CA 120.199 -1.0 . . . . 64.53 111.094 -177.331 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.676 ' H ' HD23 ' A' ' 76' ' ' LEU . 1.1 pt? -106.71 106.17 16.56 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.341 0.591 . . . . 63.3 110.088 179.36 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.489 ' O ' ' HA ' ' A' ' 96' ' ' VAL . 4.8 mp -105.78 115.82 48.3 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 CA-C-N 115.788 -0.642 . . . . 72.24 110.402 -178.011 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 78' ' ' TYR . . . . . 0.505 ' CE1' HD12 ' A' ' 76' ' ' LEU . 87.4 m-85 -95.56 125.34 40.09 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.396 -0.366 . . . . 75.13 110.15 178.697 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 17.2 ptpt -136.85 144.22 43.48 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 120.719 0.295 . . . . 72.31 110.308 179.463 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.495 HD22 ' HE2' ' A' ' 110' ' ' LYS . 33.8 tp -82.76 111.46 18.71 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 109.348 -0.612 . . . . 71.42 109.348 177.572 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -94.8 -24.33 17.11 Favored 'General case' 0 C--N 1.323 -0.55 0 C-N-CA 120.273 -0.571 . . . . 73.31 111.48 -179.348 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 69.5 m -154.99 145.68 22.36 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.919 0.39 . . . . 73.41 111.526 -178.947 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' GLN . . . . . 0.402 HE21 ' HB2' ' A' ' 90' ' ' PRO . 22.7 tm0? -142.41 115.27 8.7 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 108.809 -0.811 . . . . 54.32 108.809 174.577 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 20.8 p -148.1 140.67 24.5 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.244 -0.435 . . . . 65.23 110.855 -174.829 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 144.03 -178.98 21.7 Favored Glycine 0 N--CA 1.449 -0.481 0 C-N-CA 120.156 -1.021 . . . . 62.14 112.663 174.948 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 55.8 Cg_endo -69.67 167.12 25.23 Favored 'Trans proline' 0 C--O 1.223 -0.261 0 C-N-CA 122.944 2.43 . . . . 63.35 111.656 178.636 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 10.1 p -78.45 -25.15 13.67 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 C-N-CA 120.84 -0.344 . . . . 75.41 111.022 -178.489 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 33.3 p-80 -79.33 -25.9 42.25 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-O 120.847 0.356 . . . . 75.23 110.85 -178.884 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -151.74 69.04 7.77 Favored Pre-proline 0 C--N 1.327 -0.384 0 CA-C-N 116.314 -0.403 . . . . 70.4 110.671 178.436 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 90' ' ' PRO . . . . . 0.615 ' O ' ' HA ' ' A' ' 108' ' ' ARG . 46.4 Cg_endo -71.6 143.99 43.58 Favored 'Trans proline' 0 N--CA 1.461 -0.406 0 C-N-CA 122.356 2.038 . . . . 54.44 111.769 -178.368 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.401 HD11 ' HB3' ' A' ' 106' ' ' GLN . 21.3 tp -100.82 130.73 46.88 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 121.388 0.613 . . . . 72.33 110.458 179.647 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.58 ' O ' ' HA ' ' A' ' 106' ' ' GLN . 11.5 m-85 -111.77 141.19 45.71 Favored 'General case' 0 C--N 1.313 -0.997 0 CA-C-N 115.107 -0.951 . . . . 74.11 109.009 179.718 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 12.9 m -122.77 101.6 7.55 Favored 'General case' 0 C--N 1.316 -0.853 0 CA-C-O 121.246 0.546 . . . . 62.43 110.202 -177.634 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 6.5 mm -98.75 129.66 48.77 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.713 0 CA-C-N 115.284 -0.871 . . . . 64.23 109.743 -179.034 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 95' ' ' SER . . . . . 0.587 ' HB2' ' HD3' ' A' ' 102' ' ' LYS . 3.2 p -107.59 126.03 52.05 Favored 'General case' 0 C--N 1.311 -1.078 0 CA-C-N 115.662 -0.699 . . . . 73.53 109.733 176.629 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.512 HG12 ' HB1' ' A' ' 117' ' ' ALA . 8.8 p -123.24 129.5 74.86 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.944 0 CA-C-O 121.116 0.484 . . . . 61.21 110.287 177.415 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 24.7 tt0 -102.39 113.76 27.36 Favored 'General case' 0 C--N 1.314 -0.971 0 N-CA-C 109.094 -0.706 . . . . 73.2 109.094 176.125 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 24.7 t -120.91 120.67 63.02 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.81 0 CA-C-N 115.539 -0.755 . . . . 73.05 110.034 -176.819 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 28.7 t70 66.14 0.44 1.65 Allowed 'General case' 0 N--CA 1.467 0.415 0 O-C-N 123.745 0.653 . . . . 74.15 111.892 176.126 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 117.58 -0.13 18.15 Favored Glycine 0 N--CA 1.448 -0.501 0 C-N-CA 121.0 -0.619 . . . . 72.43 112.081 -177.527 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 11.0 mm100 -110.25 131.45 55.05 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.796 0.331 . . . . 75.43 110.993 176.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 102' ' ' LYS . . . . . 0.587 ' HD3' ' HB2' ' A' ' 95' ' ' SER . 0.2 OUTLIER -100.39 106.35 17.94 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.198 0.523 . . . . 62.13 110.408 -177.178 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 47.7 m-85 -95.21 153.25 17.75 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.655 -0.702 . . . . 74.15 109.592 179.663 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 13.3 tp -119.85 136.57 54.43 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 120.797 0.332 . . . . 64.34 110.625 -178.83 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -131.92 134.74 7.79 Favored Glycine 0 N--CA 1.448 -0.562 0 C-N-CA 121.027 -0.606 . . . . 72.14 111.742 179.809 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 106' ' ' GLN . . . . . 0.58 ' HA ' ' O ' ' A' ' 92' ' ' PHE . 31.4 mt-30 -128.77 123.89 34.09 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 120.819 0.342 . . . . 73.4 110.754 -176.659 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -147.32 178.75 24.73 Favored Glycine 0 N--CA 1.449 -0.469 0 N-CA-C 111.447 -0.661 . . . . 74.14 111.447 -179.451 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 108' ' ' ARG . . . . . 0.615 ' HA ' ' O ' ' A' ' 90' ' ' PRO . 27.9 mmt180 -81.91 8.12 11.23 Favored 'General case' 0 N--CA 1.466 0.374 0 CA-C-N 117.205 0.502 . . . . 63.21 112.029 -176.269 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 58.1 m -165.04 164.0 20.55 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 109.181 -0.674 . . . . 60.21 109.181 178.869 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 110' ' ' LYS . . . . . 0.495 ' HE2' HD22 ' A' ' 80' ' ' LEU . 84.0 mttt -57.75 -34.51 69.62 Favored 'General case' 0 C--N 1.333 -0.148 0 O-C-N 123.194 0.309 . . . . 71.24 110.299 177.396 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 111' ' ' LYS . . . . . 0.629 ' HE3' ' HB2' ' A' ' 61' ' ' GLN . 60.3 tttt -56.22 -60.06 4.04 Favored 'General case' 0 N--CA 1.454 -0.265 0 CA-C-N 115.884 -0.598 . . . . 61.43 110.572 176.613 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 112' ' ' VAL . . . . . 0.424 ' O ' ' HG2' ' A' ' 116' ' ' GLU . 23.7 t -64.55 -44.52 96.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 115.326 -0.852 . . . . 71.23 110.895 -175.682 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -59.21 -41.16 87.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.371 -0.377 . . . . 62.41 111.012 -178.793 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 17.7 ttm180 -64.45 -43.42 94.31 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.049 -0.523 . . . . 73.22 110.033 177.473 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 115' ' ' ILE . . . . . 0.772 HD13 ' HG2' ' A' ' 61' ' ' GLN . 75.0 mt -62.85 -48.63 87.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 115.485 -0.78 . . . . 72.14 111.458 178.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 116' ' ' GLU . . . . . 0.424 ' HG2' ' O ' ' A' ' 112' ' ' VAL . 8.8 mm-40 -57.72 -41.31 81.51 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.746 0.308 . . . . 74.43 111.127 179.553 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 117' ' ' ALA . . . . . 0.512 ' HB1' HG12 ' A' ' 96' ' ' VAL . . . -62.21 -45.47 93.2 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.135 0.493 . . . . 64.14 110.52 178.362 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 118' ' ' ALA . . . . . 0.586 ' O ' ' HG ' ' A' ' 122' ' ' LEU . . . -67.08 -36.52 82.18 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.537 -0.756 . . . . 71.11 111.287 179.834 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -61.4 -41.49 97.22 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.074 0.464 . . . . 51.42 110.595 179.676 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 80.4 m -64.55 -40.36 95.44 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.696 -0.684 . . . . 72.03 110.584 177.373 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -61.35 -45.52 94.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.822 -0.626 . . . . 73.14 110.759 178.498 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 122' ' ' LEU . . . . . 0.586 ' HG ' ' O ' ' A' ' 118' ' ' ALA . 64.0 mt -53.45 -50.33 65.5 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-N 116.418 -0.355 . . . . 74.42 111.19 -178.587 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 13.1 ptt180 -75.09 -12.2 60.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.979 0.418 . . . . 74.33 111.079 -175.333 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 8.1 t -79.66 -26.67 40.98 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.135 -0.484 . . . . 71.3 109.768 177.686 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 125' ' ' PHE . . . . . 0.435 ' HE2' HD21 ' A' ' 69' ' ' LEU . 66.5 m-85 -83.72 -54.26 5.04 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.075 -0.511 . . . . 71.52 109.896 176.706 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 126' ' ' ILE . . . . . 0.431 HD13 ' H ' ' A' ' 126' ' ' ILE . 0.2 OUTLIER -130.24 134.99 61.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-O 121.23 0.538 . . . . 72.12 110.451 178.658 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -127.75 124.64 38.25 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-N 115.823 -0.626 . . . . 72.32 110.265 179.394 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 80.7 m-85 -120.91 86.25 2.54 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 116.065 -0.516 . . . . 73.4 110.087 178.854 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 46.2 mmtm 57.91 73.24 0.48 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.154 -0.93 . . . . 75.41 111.347 -179.841 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -88.22 -63.14 1.34 Allowed 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.883 -0.599 . . . . 52.41 110.048 178.757 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 96.24 -26.75 19.81 Favored Glycine 0 N--CA 1.45 -0.415 0 C-N-CA 120.73 -0.748 . . . . 41.33 112.683 176.777 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -90.74 117.19 29.18 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.303 0.573 . . . . 73.24 110.341 -178.581 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 28.3 m -89.98 146.9 5.63 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.813 0 CA-C-N 115.293 -0.867 . . . . 72.33 111.213 -175.166 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 134' ' ' LEU . . . . . 0.674 ' H ' HD23 ' A' ' 134' ' ' LEU . 2.5 pt? -77.59 74.12 4.15 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.891 0.853 . . . . 65.12 110.301 177.356 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 48.9 m -153.49 167.48 13.47 Favored Pre-proline 0 C--N 1.321 -0.673 0 CA-C-N 115.274 -0.875 . . . . 65.54 109.325 -177.82 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 136' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_exo -56.23 101.13 0.09 OUTLIER 'Trans proline' 0 C--N 1.348 0.516 0 C-N-CA 122.445 2.097 . . . . 52.02 112.199 177.007 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 92.0 mt -103.09 92.99 4.77 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.844 -0.616 . . . . 74.34 109.777 177.659 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 138' ' ' LYS . . . . . 0.895 ' HB3' ' HD2' ' A' ' 139' ' ' PRO . 99.1 mttt 66.39 176.68 0.06 OUTLIER Pre-proline 0 CA--C 1.539 0.528 0 O-C-N 123.614 0.571 . . . . 72.33 110.127 -176.918 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 139' ' ' PRO . . . . . 0.895 ' HD2' ' HB3' ' A' ' 138' ' ' LYS . 6.1 Cg_exo -38.75 108.68 0.07 OUTLIER 'Trans proline' 0 C--N 1.357 0.984 0 C-N-CA 123.743 2.962 . . . . 73.34 113.717 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.066 0 CA-C-N 115.708 -0.678 . . . . 73.24 110.13 179.696 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 21.0 m . . . . . 0 N--CA 1.477 0.899 0 N-CA-C 110.145 -0.317 . . . . 72.55 110.145 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 2.5 t70 70.02 102.15 0.04 OUTLIER Pre-proline 0 N--CA 1.467 0.409 0 O-C-N 123.852 0.72 . . . . 64.33 110.124 178.948 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 16.8 Cg_exo -66.83 114.18 3.05 Favored 'Trans proline' 0 C--N 1.343 0.271 0 C-N-CA 123.168 2.578 . . . . 74.32 112.962 -173.527 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 17.3 ptpt -165.98 177.21 7.22 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.062 -0.517 . . . . 71.15 110.186 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 61.7 mttp -87.99 117.63 26.98 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 121.111 0.481 . . . . 73.21 111.174 177.701 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.4 ' HG2' ' H ' ' A' ' 53' ' ' LYS . 16.8 pttm -68.31 -20.58 64.76 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.456 -0.793 . . . . 64.44 110.026 174.787 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 11.1 tmm? -153.98 123.39 6.58 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 114.592 -1.186 . . . . 72.33 107.891 177.762 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 52.3 t -66.37 -78.16 0.06 Allowed 'General case' 0 C--N 1.327 -0.378 0 O-C-N 123.285 0.366 . . . . 74.14 110.883 -176.448 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 8.0 ttpm? -165.18 136.07 3.93 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 108.751 -0.833 . . . . 64.11 108.751 176.442 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -71.68 94.85 1.39 Allowed 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.314 0.578 . . . . 75.51 110.916 -174.911 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 23.6 mmm180 -82.01 -20.56 38.17 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.2 -0.909 . . . . 74.43 110.624 177.905 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 15.9 pt -135.42 146.87 59.57 Favored Pre-proline 0 C--N 1.325 -0.466 0 CA-C-N 115.83 -0.623 . . . . 54.32 110.479 -179.291 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 88.6 Cg_endo -81.86 -169.69 0.82 Allowed 'Trans proline' 0 C--O 1.236 0.375 0 C-N-CA 122.896 2.397 . . . . 65.44 112.061 178.417 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -100.12 127.8 32.41 Favored Pre-proline 0 C--N 1.325 -0.462 0 CA-C-N 116.38 -0.373 . . . . 70.12 110.719 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 94.2 Cg_endo -80.79 -142.92 0.02 OUTLIER 'Trans proline' 0 N--CA 1.457 -0.619 0 C-N-CA 122.669 2.246 . . . . 72.42 109.634 168.232 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 8.7 mtpm? -78.36 79.2 4.81 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 109.246 -0.65 . . . . 75.51 109.246 171.555 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 22.5 p-10 -57.07 131.03 48.66 Favored 'General case' 0 CA--C 1.515 -0.372 0 CA-C-O 122.124 0.964 . . . . 63.3 111.55 -175.668 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 39.9 p -61.1 -25.93 67.31 Favored 'General case' 0 C--N 1.314 -0.957 0 CA-C-N 113.824 -1.535 . . . . 62.33 111.551 -176.27 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 46.3 t -59.47 -46.78 92.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 115.519 -0.764 . . . . 74.54 110.462 177.501 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -67.22 -36.8 82.44 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.048 0.451 . . . . 55.1 110.191 178.24 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 75.6 mmm -59.47 -40.93 88.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.602 -0.726 . . . . 73.14 110.23 177.212 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.608 ' HB3' HD13 ' A' ' 76' ' ' LEU . 6.2 mt -63.53 -32.52 74.0 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.078 -0.51 . . . . 74.01 111.364 178.093 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 6.8 m-20 -66.5 -27.51 67.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.345 0.593 . . . . 65.22 109.857 -179.04 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 51.9 mm-40 -80.94 -24.62 38.02 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 114.921 -1.036 . . . . 74.52 111.012 179.52 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 90.3 mt -90.49 -63.32 1.29 Allowed 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.079 -0.509 . . . . 63.55 111.875 -178.167 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 22.9 mmm180 -139.93 143.73 36.75 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.035 0.445 . . . . 74.05 111.922 -173.329 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 3.3 p-80 -90.92 162.32 14.81 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 108.815 -0.809 . . . . 73.1 108.815 169.396 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 87.89 40.1 6.79 Favored Glycine 0 N--CA 1.442 -0.909 0 C-N-CA 120.148 -1.025 . . . . 72.02 110.754 -176.806 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.653 ' H ' HD23 ' A' ' 76' ' ' LEU . 1.1 pt? -106.58 100.71 10.21 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.182 0.515 . . . . 72.43 109.948 178.516 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.534 ' O ' ' HA ' ' A' ' 96' ' ' VAL . 4.8 mp -100.93 110.5 28.01 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.7 0 CA-C-N 116.113 -0.494 . . . . 65.44 110.706 -176.805 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 78' ' ' TYR . . . . . 0.508 ' CD1' ' HB ' ' A' ' 96' ' ' VAL . 92.6 m-85 -89.14 121.44 31.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.417 -0.356 . . . . 70.35 110.043 176.59 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 18.3 ptpt -133.86 138.93 45.9 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-O 120.768 0.318 . . . . 73.44 110.611 178.644 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.524 HD21 ' HB2' ' A' ' 83' ' ' GLN . 43.3 tp -79.15 103.8 9.33 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 108.89 -0.781 . . . . 74.34 108.89 174.853 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -86.48 -28.04 23.7 Favored 'General case' 0 C--N 1.324 -0.529 0 C-N-CA 120.113 -0.635 . . . . 74.32 111.603 -175.354 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 46.7 m -154.71 140.36 17.98 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.733 0.302 . . . . 55.45 110.453 177.86 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 83' ' ' GLN . . . . . 0.524 ' HB2' HD21 ' A' ' 80' ' ' LEU . 23.6 tm0? -130.62 113.87 14.74 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 109.035 -0.728 . . . . 60.45 109.035 174.65 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 18.9 p -140.06 150.11 43.96 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.106 -0.497 . . . . 64.34 110.98 -175.308 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 131.36 177.92 15.17 Favored Glycine 0 N--CA 1.445 -0.708 0 C-N-CA 120.635 -0.793 . . . . 64.14 112.049 175.444 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 44.5 Cg_endo -66.85 167.44 19.55 Favored 'Trans proline' 0 N--CA 1.462 -0.325 0 C-N-CA 122.603 2.202 . . . . 62.02 111.624 178.492 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 35.2 m -84.99 -14.81 11.04 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 C-N-CA 121.004 -0.278 . . . . 64.5 111.68 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 39.6 p-80 -84.34 -28.53 26.98 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.969 0.414 . . . . 64.42 110.306 177.889 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -150.61 76.0 8.38 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-N 115.929 -0.578 . . . . 72.02 110.118 177.744 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 90' ' ' PRO . . . . . 0.402 ' HB2' ' CE1' ' A' ' 92' ' ' PHE . 5.1 Cg_exo -75.91 154.56 38.39 Favored 'Trans proline' 0 N--CA 1.457 -0.668 0 C-N-CA 122.581 2.187 . . . . 52.52 112.35 -178.048 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.479 HD11 ' HB3' ' A' ' 106' ' ' GLN . 2.9 tm? -110.75 116.84 31.99 Favored 'General case' 0 N--CA 1.443 -0.793 0 CA-C-O 121.409 0.623 . . . . 74.24 109.47 177.646 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.402 ' CE1' ' HB2' ' A' ' 90' ' ' PRO . 18.2 m-85 -101.41 132.09 47.18 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 115.488 -0.778 . . . . 74.35 109.066 179.582 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 93' ' ' THR . . . . . 0.458 HG22 HD11 ' A' ' 104' ' ' LEU . 14.6 m -114.2 100.9 8.71 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 121.092 0.472 . . . . 73.52 109.905 -176.935 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 0.531 HG21 ' HA ' ' A' ' 114' ' ' ARG . 5.5 mm -96.67 126.76 49.29 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.698 0 CA-C-N 115.507 -0.77 . . . . 72.31 109.82 -179.323 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 95' ' ' SER . . . . . 0.572 ' HB2' ' HD3' ' A' ' 102' ' ' LYS . 1.8 p -106.73 124.2 49.26 Favored 'General case' 0 N--CA 1.437 -1.114 0 CA-C-N 115.523 -0.762 . . . . 61.43 109.657 176.29 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.534 ' HA ' ' O ' ' A' ' 77' ' ' ILE . 7.3 p -115.93 120.65 65.45 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.851 0 CA-C-O 121.582 0.706 . . . . 65.31 110.283 177.139 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 97' ' ' GLU . . . . . 0.466 ' HA ' ' HA ' ' A' ' 102' ' ' LYS . 15.9 tt0 -97.34 115.04 26.94 Favored 'General case' 0 C--N 1.308 -1.23 0 N-CA-C 108.669 -0.863 . . . . 75.14 108.669 177.407 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 13.2 t -123.02 118.6 55.35 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 CA-C-N 115.886 -0.597 . . . . 53.42 109.938 -177.75 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 25.1 t70 66.26 16.89 10.59 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.537 0.684 . . . . 63.3 110.455 175.114 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 109.81 -26.28 14.65 Favored Glycine 0 N--CA 1.451 -0.338 0 CA-C-N 115.821 -0.627 . . . . 52.15 112.389 -179.047 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 101' ' ' GLN . . . . . 0.434 ' HB3' ' CE2' ' A' ' 103' ' ' TYR . 0.0 OUTLIER -88.16 128.92 35.45 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 110.186 -0.301 . . . . 61.43 110.186 -177.266 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 102' ' ' LYS . . . . . 0.572 ' HD3' ' HB2' ' A' ' 95' ' ' SER . 2.5 tmmm? -96.8 118.35 33.04 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.89 0.376 . . . . 74.04 110.147 179.65 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 103' ' ' TYR . . . . . 0.48 ' CD1' ' HA ' ' A' ' 121' ' ' ALA . 57.6 m-85 -106.29 142.06 36.59 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.634 -0.712 . . . . 71.0 110.0 178.441 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.458 HD11 HG22 ' A' ' 93' ' ' THR . 12.3 tp -108.43 144.67 35.72 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 120.782 0.325 . . . . 71.41 111.071 -177.236 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 105' ' ' GLY . . . . . 0.5 ' HA3' ' N ' ' A' ' 117' ' ' ALA . . . -142.28 138.56 8.58 Favored Glycine 0 N--CA 1.448 -0.541 0 N-CA-C 111.474 -0.651 . . . . 63.32 111.474 176.938 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 106' ' ' GLN . . . . . 0.479 ' HB3' HD11 ' A' ' 91' ' ' LEU . 21.8 mt-30 -124.74 123.08 39.22 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 120.827 0.346 . . . . 64.3 110.968 -174.188 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -140.08 -179.52 17.95 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.916 -0.659 . . . . 73.33 112.019 -177.768 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 16.5 mmt180 -86.71 0.03 55.42 Favored 'General case' 0 N--CA 1.466 0.37 0 CA-C-O 121.247 0.546 . . . . 73.25 110.563 -177.323 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 67.0 m -161.25 164.22 30.46 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 108.653 -0.869 . . . . 71.02 108.653 -179.744 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 110' ' ' LYS . . . . . 0.442 ' HE2' HD22 ' A' ' 80' ' ' LEU . 86.5 mttt -54.99 -43.31 73.46 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-O 120.933 0.397 . . . . 65.4 110.822 179.23 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 81.5 tttt -60.31 -51.43 69.56 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.648 -0.705 . . . . 71.41 110.981 -177.748 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 112' ' ' VAL . . . . . 0.6 ' O ' ' HG2' ' A' ' 116' ' ' GLU . 30.3 t -57.99 -53.12 49.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 115.377 -0.828 . . . . 61.01 110.633 177.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -58.97 -36.6 75.12 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.988 -0.551 . . . . 72.11 111.738 -176.815 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 114' ' ' ARG . . . . . 0.531 ' HA ' HG21 ' A' ' 94' ' ' ILE . 39.7 ttm180 -59.86 -45.47 92.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.135 -0.484 . . . . 74.42 110.449 178.273 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 52.5 mt -65.6 -45.83 91.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 115.757 -0.656 . . . . 73.41 111.227 176.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 116' ' ' GLU . . . . . 0.6 ' HG2' ' O ' ' A' ' 112' ' ' VAL . 7.0 mm-40 -58.69 -38.2 77.74 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.056 0.455 . . . . 62.43 110.952 178.762 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 117' ' ' ALA . . . . . 0.522 ' HB1' HG12 ' A' ' 96' ' ' VAL . . . -63.87 -46.67 83.93 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.81 -0.632 . . . . 45.23 111.095 178.397 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 118' ' ' ALA . . . . . 0.563 ' O ' ' HG ' ' A' ' 122' ' ' LEU . . . -66.46 -27.24 67.65 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.922 -0.581 . . . . 70.24 111.082 -179.386 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -61.31 -45.39 94.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.06 -0.518 . . . . 73.43 110.878 177.614 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 120' ' ' THR . . . . . 0.418 ' O ' ' HG2' ' A' ' 123' ' ' ARG . 35.8 m -62.77 -40.22 96.62 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.985 -0.552 . . . . 64.54 110.266 176.628 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 121' ' ' ALA . . . . . 0.48 ' HA ' ' CD1' ' A' ' 103' ' ' TYR . . . -57.21 -52.11 66.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.652 -0.704 . . . . 51.11 111.103 179.501 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 122' ' ' LEU . . . . . 0.563 ' HG ' ' O ' ' A' ' 118' ' ' ALA . 64.4 mt -52.17 -50.58 61.56 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.879 -0.6 . . . . 51.04 111.735 -176.161 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 123' ' ' ARG . . . . . 0.418 ' HG2' ' O ' ' A' ' 120' ' ' THR . 11.6 ptm180 -66.74 -20.88 66.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 74.44 111.48 -174.193 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 8.5 t -78.98 -29.26 43.73 Favored 'General case' 0 C--N 1.327 -0.397 0 C-N-CA 120.928 -0.309 . . . . 71.25 110.579 178.207 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 79.8 m-85 -81.47 -61.57 1.9 Allowed 'General case' 0 CA--C 1.516 -0.338 0 CA-C-O 120.941 0.4 . . . . 72.04 110.374 -179.704 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 126' ' ' ILE . . . . . 0.528 HD13 ' H ' ' A' ' 126' ' ' ILE . 0.3 OUTLIER -114.84 137.29 48.76 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.68 0 CA-C-N 115.942 -0.572 . . . . 71.42 109.581 179.583 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -122.05 140.75 52.12 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-O 121.437 0.637 . . . . 54.13 111.36 -177.963 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 94.4 m-85 -136.48 146.58 46.45 Favored 'General case' 0 C--N 1.316 -0.86 0 CA-C-N 115.363 -0.835 . . . . 74.51 109.06 177.794 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 30.1 mmtp -72.34 130.76 41.51 Favored 'General case' 0 C--N 1.32 -0.694 0 C-N-CA 120.442 -0.503 . . . . 71.53 110.337 -178.118 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 51.4 m-20 64.57 18.87 11.6 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 114.807 -1.088 . . . . 72.2 110.895 -172.267 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . -86.32 49.22 4.05 Favored Glycine 0 N--CA 1.45 -0.418 0 N-CA-C 110.172 -1.171 . . . . 72.42 110.172 171.204 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -76.8 148.83 36.38 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.001 -0.599 . . . . 74.51 111.902 -171.462 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 35.2 m -108.99 143.1 19.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 115.852 -0.613 . . . . 64.0 109.921 177.435 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 6.8 mp -123.62 80.79 1.83 Allowed 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.067 0.46 . . . . 71.42 110.216 178.65 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 3.9 p -106.46 150.78 39.94 Favored Pre-proline 0 C--N 1.321 -0.649 0 CA-C-N 115.908 -0.587 . . . . 61.52 110.365 179.05 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 136' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_endo -75.76 54.35 3.97 Favored 'Trans proline' 0 C--N 1.344 0.34 0 C-N-CA 122.866 2.377 . . . . 74.55 112.82 -177.765 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 68.9 mt -69.56 -35.63 75.57 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.666 -0.697 . . . . 72.02 110.584 179.283 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 7.3 tmtt? -134.75 86.09 34.37 Favored Pre-proline 0 C--N 1.326 -0.453 0 N-CA-C 109.287 -0.635 . . . . 71.15 109.287 177.556 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 4.6 Cg_exo -79.14 -72.1 0.01 OUTLIER 'Trans proline' 0 N--CA 1.46 -0.48 0 C-N-CA 122.99 2.46 . . . . 65.24 112.119 178.486 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.072 0 CA-C-O 118.645 -0.693 . . . . 52.5 110.161 -179.115 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 41.4 m . . . . . 0 N--CA 1.475 0.786 0 CA-C-O 120.918 0.39 . . . . 74.42 111.209 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.475 ' OD2' ' HE3' ' A' ' 51' ' ' LYS . 8.7 p-10 -133.63 111.95 12.63 Favored Pre-proline 0 C--N 1.328 -0.359 0 CA-C-O 121.223 0.535 . . . . 72.11 109.734 176.067 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 91.5 Cg_endo -80.95 -8.64 13.17 Favored 'Trans proline' 0 N--CA 1.461 -0.429 0 C-N-CA 122.281 1.988 . . . . 74.42 111.906 179.496 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.947 ' HA ' ' HE2' ' A' ' 51' ' ' LYS . 10.2 mmpt? 68.2 -3.41 1.28 Allowed 'General case' 0 N--CA 1.468 0.459 0 CA-C-N 115.38 -0.827 . . . . 71.44 111.455 -177.487 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.438 ' HE2' ' HB2' ' A' ' 52' ' ' LYS . 11.2 tppt? -66.26 112.33 3.92 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.289 -0.414 . . . . 74.11 110.101 -178.604 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 72.8 mmtt 71.95 -15.72 0.44 Allowed 'General case' 0 N--CA 1.47 0.553 0 O-C-N 123.912 0.757 . . . . 71.5 111.536 179.543 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' MET . . . . . 0.421 ' H ' ' C ' ' A' ' 52' ' ' LYS . 95.7 mmm -86.59 64.39 8.5 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.436 0.636 . . . . 75.14 110.288 177.927 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 74.1 m -140.64 -177.09 4.9 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.186 -0.916 . . . . 72.34 110.173 -178.611 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 28.5 mtpp -117.31 30.15 7.47 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.115 0.484 . . . . 75.14 110.278 -177.246 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -84.9 25.07 0.97 Allowed 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.824 -0.625 . . . . 44.5 110.425 -175.928 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -76.04 -19.96 58.19 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.15 -0.477 . . . . 75.13 111.326 -176.186 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.469 ' HA ' ' HD3' ' A' ' 60' ' ' PRO . 5.5 pt -91.42 139.19 25.22 Favored Pre-proline 0 C--N 1.321 -0.646 0 CA-C-N 115.977 -0.556 . . . . 64.43 111.774 -173.088 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 60' ' ' PRO . . . . . 0.469 ' HD3' ' HA ' ' A' ' 59' ' ' ILE . 25.5 Cg_exo -63.87 -24.3 68.03 Favored 'Trans proline' 0 C--N 1.346 0.409 0 C-N-CA 123.169 2.58 . . . . 61.33 112.24 -179.904 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 10.8 pt20 -107.63 103.81 50.55 Favored Pre-proline 0 C--N 1.326 -0.428 0 CA-C-N 116.09 -0.504 . . . . 73.14 109.727 175.021 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' PRO . . . . . 0.664 ' HB3' ' HB3' ' A' ' 67' ' ' ALA . 46.0 Cg_exo -57.31 115.94 2.86 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 123.223 2.615 . . . . 73.43 113.482 -175.122 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.408 ' HD3' ' HA ' ' A' ' 63' ' ' LYS . 64.7 mmtt -92.39 1.14 57.41 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.951 -0.568 . . . . 72.14 110.969 175.709 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 64' ' ' ASN . . . . . 0.601 ' HB3' HG12 ' A' ' 115' ' ' ILE . 0.0 OUTLIER -122.87 145.51 48.38 Favored 'General case' 0 C--O 1.239 0.533 0 CA-C-O 121.684 0.754 . . . . 60.41 111.074 -178.821 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.417 HG22 HD12 ' A' ' 122' ' ' LEU . 12.4 p -67.42 -13.29 61.89 Favored 'General case' 0 C--N 1.316 -0.883 0 CA-C-N 114.498 -1.228 . . . . 72.41 110.734 177.421 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 86.3 t -67.52 -48.21 77.78 Favored 'Isoleucine or valine' 0 C--O 1.233 0.196 0 CA-C-N 115.994 -0.548 . . . . 65.25 110.503 179.777 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.664 ' HB3' ' HB3' ' A' ' 62' ' ' PRO . . . -63.19 -37.97 89.34 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.086 -0.507 . . . . 64.4 109.99 176.712 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 73.5 mmm -57.81 -40.58 80.29 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.619 -0.719 . . . . 72.1 110.879 175.428 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.568 ' HB3' HD13 ' A' ' 76' ' ' LEU . 4.4 mt -63.89 -34.36 77.78 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.02 -0.536 . . . . 75.51 111.427 179.308 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -70.7 -20.91 62.63 Favored 'General case' 0 N--CA 1.467 0.393 0 CA-C-O 121.337 0.589 . . . . 61.34 110.031 -178.545 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 21.2 mm-40 -78.31 -32.29 49.26 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.479 -0.782 . . . . 74.14 110.443 176.387 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 90.7 mt -90.15 -50.68 5.86 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.003 -0.544 . . . . 74.24 111.867 -174.818 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' ARG . . . . . 0.511 ' HG3' ' CZ ' ' A' ' 125' ' ' PHE . 1.8 mmp_? -137.84 164.06 29.88 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.133 0.492 . . . . 65.44 111.278 -175.016 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 1.5 p80 -126.05 166.91 16.11 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.735 -0.666 . . . . 75.54 109.372 173.489 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 85.16 25.66 39.54 Favored Glycine 0 N--CA 1.448 -0.531 0 C-N-CA 120.215 -0.993 . . . . 51.31 111.236 -176.269 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.849 ' H ' HD23 ' A' ' 76' ' ' LEU . 1.7 pt? -95.24 118.62 32.34 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.107 0.48 . . . . 71.3 110.099 -179.778 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 4.3 mp -114.61 114.71 47.38 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 CA-C-N 115.863 -0.608 . . . . 63.11 110.527 -178.534 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 95.0 m-85 -88.85 124.0 33.77 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.281 -0.418 . . . . 74.45 110.187 177.605 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 17.3 ptpt -136.15 135.74 39.47 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 116.096 -0.502 . . . . 41.43 110.875 -178.961 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 45.0 tp -76.48 103.0 6.25 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 109.125 -0.694 . . . . 71.11 109.125 174.359 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -92.4 -22.98 19.35 Favored 'General case' 0 C--N 1.325 -0.466 0 C-N-CA 120.883 -0.327 . . . . 74.31 111.694 -175.732 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 82' ' ' SER . . . . . 0.505 ' HB2' ' HB ' ' A' ' 93' ' ' THR . 48.5 m -150.13 144.6 25.8 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 120.863 0.363 . . . . 72.41 111.022 -179.316 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 19.5 tm0? -146.12 120.12 9.39 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 109.496 -0.557 . . . . 62.34 109.496 177.889 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 7.4 p -147.15 155.46 42.15 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.295 -0.412 . . . . 62.11 110.854 -179.048 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 120.23 175.71 15.62 Favored Glycine 0 N--CA 1.449 -0.466 0 C-N-CA 120.587 -0.816 . . . . 63.01 112.816 176.909 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo -73.02 153.68 52.39 Favored 'Trans proline' 0 C--O 1.222 -0.302 0 C-N-CA 123.213 2.609 . . . . 73.11 111.443 178.341 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 29.5 m -68.59 -21.49 26.12 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 N-CA-C 112.122 0.416 . . . . 75.24 112.122 -177.017 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 37.3 p-80 -78.12 -33.17 50.68 Favored 'General case' 0 C--O 1.232 0.155 0 C-N-CA 120.784 -0.366 . . . . 75.44 110.872 179.385 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -147.71 72.48 11.56 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.321 -0.4 . . . . 72.31 110.499 179.488 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 90' ' ' PRO . . . . . 0.508 ' O ' ' HA ' ' A' ' 108' ' ' ARG . 1.0 OUTLIER -81.71 164.04 18.48 Favored 'Trans proline' 0 N--CA 1.454 -0.832 0 C-N-CA 122.692 2.261 . . . . 53.43 112.662 -175.989 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -112.18 119.01 36.92 Favored 'General case' 0 C--N 1.32 -0.716 0 N-CA-C 108.896 -0.779 . . . . 74.21 108.896 175.725 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.443 ' O ' ' HA ' ' A' ' 106' ' ' GLN . 69.0 m-85 -106.0 135.25 47.79 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 115.474 -0.784 . . . . 72.15 109.842 179.732 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 93' ' ' THR . . . . . 0.505 ' HB ' ' HB2' ' A' ' 82' ' ' SER . 38.7 m -117.58 101.72 8.59 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 121.129 0.49 . . . . 74.11 110.044 -178.493 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 0.52 HG21 ' HA ' ' A' ' 114' ' ' ARG . 6.3 mm -99.33 129.43 49.82 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 CA-C-N 115.591 -0.731 . . . . 74.25 109.628 179.454 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 95' ' ' SER . . . . . 0.604 ' HB2' ' HD3' ' A' ' 102' ' ' LYS . 2.2 p -108.86 144.21 37.04 Favored 'General case' 0 C--N 1.314 -0.957 0 CA-C-N 116.362 -0.381 . . . . 42.04 110.115 174.311 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.455 HG12 ' HB1' ' A' ' 117' ' ' ALA . 7.6 p -136.89 126.07 36.75 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.829 0 CA-C-O 121.099 0.476 . . . . 71.53 110.298 175.67 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 97' ' ' GLU . . . . . 0.473 ' HA ' ' HA ' ' A' ' 102' ' ' LYS . 25.7 tt0 -94.36 114.46 26.51 Favored 'General case' 0 C--N 1.315 -0.908 0 N-CA-C 109.094 -0.706 . . . . 63.13 109.094 177.368 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 30.0 t -123.0 116.86 49.96 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.83 0 CA-C-N 115.75 -0.659 . . . . 64.24 110.149 -175.819 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 14.4 t70 62.57 21.61 12.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.607 -0.724 . . . . 60.44 110.683 178.755 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 107.44 -28.65 12.04 Favored Glycine 0 N--CA 1.449 -0.478 0 C-N-CA 120.81 -0.709 . . . . 63.44 112.37 179.36 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 9.5 mm100 -86.24 129.18 34.94 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 120.984 0.421 . . . . 32.21 111.053 -179.151 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 102' ' ' LYS . . . . . 0.604 ' HD3' ' HB2' ' A' ' 95' ' ' SER . 0.7 OUTLIER -96.96 110.56 23.06 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.886 -0.597 . . . . 72.1 109.905 -177.767 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 70.8 m-85 -98.41 164.67 12.19 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.988 -0.551 . . . . 73.52 110.066 -178.719 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 12.0 tp -133.33 145.34 50.32 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.659 0.266 . . . . 71.2 110.777 -177.057 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 105' ' ' GLY . . . . . 0.459 ' HA3' ' N ' ' A' ' 117' ' ' ALA . . . -141.75 135.9 7.04 Favored Glycine 0 N--CA 1.447 -0.626 0 N-CA-C 111.538 -0.625 . . . . 71.14 111.538 176.279 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 106' ' ' GLN . . . . . 0.443 ' HA ' ' O ' ' A' ' 92' ' ' PHE . 23.5 mt-30 -122.14 119.59 31.74 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 120.746 0.307 . . . . 55.22 110.659 -176.78 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -136.63 174.78 21.4 Favored Glycine 0 N--CA 1.449 -0.49 0 C-N-CA 120.853 -0.689 . . . . 63.02 112.426 -177.587 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 108' ' ' ARG . . . . . 0.508 ' HA ' ' O ' ' A' ' 90' ' ' PRO . 28.9 mmt180 -84.12 5.64 25.42 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.177 0.513 . . . . 73.03 111.28 -178.182 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 109' ' ' SER . . . . . 0.579 ' HB2' HG23 ' A' ' 112' ' ' VAL . 27.2 m -159.55 161.79 35.29 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 108.672 -0.862 . . . . 74.43 108.672 -179.667 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 95.9 mttt -59.96 -37.13 78.69 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.425 0.631 . . . . 73.24 109.937 178.38 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 9.7 tmtt? -63.57 -45.84 88.63 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.194 -0.912 . . . . 65.12 110.862 178.303 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 112' ' ' VAL . . . . . 0.579 HG23 ' HB2' ' A' ' 109' ' ' SER . 27.6 t -63.82 -53.35 45.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.148 -0.478 . . . . 73.14 110.536 -179.156 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -58.13 -38.84 77.29 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.597 -0.729 . . . . 71.1 111.806 -175.846 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 114' ' ' ARG . . . . . 0.52 ' HA ' HG21 ' A' ' 94' ' ' ILE . 9.1 ttp180 -58.1 -44.89 87.92 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 121.369 0.604 . . . . 73.35 110.39 178.006 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 115' ' ' ILE . . . . . 0.601 HG12 ' HB3' ' A' ' 64' ' ' ASN . 60.9 mt -69.37 -44.88 79.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-N 115.512 -0.767 . . . . 71.44 111.621 179.513 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 116' ' ' GLU . . . . . 0.483 ' HG2' ' O ' ' A' ' 112' ' ' VAL . 8.2 mm-40 -58.58 -36.2 73.58 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.956 0.407 . . . . 75.42 111.194 178.513 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 117' ' ' ALA . . . . . 0.459 ' N ' ' HA3' ' A' ' 105' ' ' GLY . . . -63.51 -43.75 96.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.116 -0.493 . . . . 72.31 110.619 176.836 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -69.61 -29.59 67.14 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.686 -0.688 . . . . 44.13 111.138 -179.404 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -62.83 -45.37 92.91 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.033 0.444 . . . . 75.53 110.612 178.303 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 28.5 m -59.95 -36.47 77.17 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.808 -0.633 . . . . 63.33 110.527 176.358 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -66.28 -47.5 73.45 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.712 -0.676 . . . . 61.4 111.333 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 122' ' ' LEU . . . . . 0.417 HD12 HG22 ' A' ' 65' ' ' THR . 30.4 mt -59.0 -46.72 87.47 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.607 -0.269 . . . . 74.33 111.451 -177.914 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 25.2 ptt180 -68.63 -19.29 64.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.069 0.461 . . . . 73.45 110.587 -177.385 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 34.6 t -72.96 -30.63 63.99 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.053 -0.521 . . . . 73.04 110.332 176.875 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 125' ' ' PHE . . . . . 0.511 ' CZ ' ' HG3' ' A' ' 73' ' ' ARG . 60.7 m-85 -85.88 -58.29 2.71 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.115 -0.493 . . . . 70.22 110.462 179.712 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 126' ' ' ILE . . . . . 0.509 HD13 ' H ' ' A' ' 126' ' ' ILE . 0.2 OUTLIER -126.78 137.23 58.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-O 121.282 0.563 . . . . 75.24 111.271 -177.276 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 127' ' ' GLN . . . . . 0.443 ' NE2' ' HA ' ' A' ' 127' ' ' GLN . 6.7 mm-40 -145.58 135.52 23.62 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.823 -0.626 . . . . 72.43 110.966 175.697 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 70.1 m-85 -119.27 19.25 12.85 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 115.1 -0.955 . . . . 70.2 108.795 176.798 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 129' ' ' LYS . . . . . 0.408 ' HG3' ' N ' ' A' ' 130' ' ' ASP . 14.8 tppt? -155.19 173.5 16.53 Favored 'General case' 0 N--CA 1.451 -0.425 0 CA-C-N 114.858 -1.064 . . . . 64.02 108.92 -174.427 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 130' ' ' ASP . . . . . 0.408 ' N ' ' HG3' ' A' ' 129' ' ' LYS . 3.7 m-20 -58.1 -45.61 86.92 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 109.246 -0.65 . . . . 61.43 109.246 172.519 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 72.89 7.7 71.06 Favored Glycine 0 C--N 1.333 0.376 0 CA-C-N 115.124 -0.944 . . . . 63.34 113.335 174.569 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -144.11 158.98 43.4 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 120.913 0.387 . . . . 73.11 111.044 -177.036 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 15.5 m -125.4 126.74 71.12 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 CA-C-N 115.631 -0.713 . . . . 71.02 109.275 173.815 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 89.0 mt -85.33 83.28 8.02 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.463 0.649 . . . . 74.5 111.417 -175.915 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 135' ' ' SER . . . . . 0.466 ' HB3' ' HD2' ' A' ' 136' ' ' PRO . 32.7 m -106.48 164.26 15.27 Favored Pre-proline 0 C--N 1.318 -0.802 0 CA-C-N 115.205 -0.907 . . . . 74.15 109.101 175.082 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 136' ' ' PRO . . . . . 0.466 ' HD2' ' HB3' ' A' ' 135' ' ' SER . 43.8 Cg_endo -69.55 70.78 1.45 Allowed 'Trans proline' 0 C--N 1.344 0.316 0 C-N-CA 122.391 2.061 . . . . 74.4 111.822 176.33 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 137' ' ' LEU . . . . . 0.735 HD12 ' HG3' ' A' ' 138' ' ' LYS . 3.2 pp -91.17 -20.09 22.36 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.797 -0.638 . . . . 74.23 110.355 -178.722 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 138' ' ' LYS . . . . . 0.735 ' HG3' HD12 ' A' ' 137' ' ' LEU . 68.6 mttm -102.42 103.28 30.38 Favored Pre-proline 0 C--N 1.329 -0.32 0 N-CA-C 108.939 -0.764 . . . . 63.51 108.939 172.539 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 139' ' ' PRO . . . . . 0.415 ' HD3' ' HA ' ' A' ' 138' ' ' LYS . 2.4 Cg_endo -80.52 100.63 1.25 Allowed 'Trans proline' 0 N--CA 1.452 -0.934 0 C-N-CA 122.771 2.314 . . . . 61.14 111.909 -176.444 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.898 0 CA-C-O 118.711 -0.662 . . . . 37.58 109.955 177.813 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 13.9 m . . . . . 0 N--CA 1.477 0.924 0 CA-C-O 120.936 0.398 . . . . 62.2 110.242 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 33.6 m-20 -110.98 164.13 15.64 Favored Pre-proline 0 C--N 1.322 -0.623 0 CA-C-N 116.282 -0.417 . . . . 72.42 109.913 -179.194 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 11.8 Cg_exo -71.97 38.44 0.36 Allowed 'Trans proline' 0 C--N 1.347 0.453 0 C-N-CA 123.267 2.645 . . . . 44.44 112.781 179.455 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 57.0 mtpt -78.63 76.69 5.13 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.931 0.396 . . . . 64.42 110.329 178.555 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 71.5 mmtt -72.48 120.86 18.68 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.931 -0.577 . . . . 74.52 109.815 -179.043 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 25.5 tptp -104.89 125.88 51.38 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.133 -0.485 . . . . 73.34 110.187 -178.15 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 11.7 tmm? -120.92 131.96 54.67 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 109.612 -0.514 . . . . 74.23 109.612 178.955 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 46.2 t -164.7 165.79 20.54 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 108.981 -0.748 . . . . 63.12 108.981 179.418 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.603 ' HD2' ' H ' ' A' ' 56' ' ' LYS . 0.0 OUTLIER -121.64 128.55 52.02 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.357 0.599 . . . . 64.15 110.838 179.906 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -132.29 177.75 7.34 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.571 -0.741 . . . . 73.34 109.455 175.447 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 88.4 mtm180 -91.31 128.15 37.03 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.0 0.429 . . . . 71.43 110.783 179.517 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 69.0 mt -113.64 93.96 30.46 Favored Pre-proline 0 C--N 1.323 -0.579 0 CA-C-N 115.903 -0.59 . . . . 71.04 109.688 177.422 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 96.1 Cg_endo -93.23 154.65 2.56 Favored 'Trans proline' 0 N--CA 1.455 -0.79 0 C-N-CA 122.814 2.343 . . . . 71.22 113.332 -177.546 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 25.7 mt-30 -138.03 87.95 15.99 Favored Pre-proline 0 C--N 1.325 -0.498 0 CA-C-N 115.911 -0.586 . . . . 74.21 110.361 174.275 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 13.3 Cg_exo -69.37 -70.49 0.02 OUTLIER 'Trans proline' 0 C--N 1.342 0.231 0 C-N-CA 122.723 2.282 . . . . 73.2 111.38 178.456 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.706 ' HA ' ' HE3' ' A' ' 63' ' ' LYS . 1.2 tpmt? -131.37 87.03 2.41 Favored 'General case' 0 N--CA 1.449 -0.499 0 N-CA-C 109.073 -0.714 . . . . 72.15 109.073 174.348 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 64' ' ' ASN . . . . . 0.468 ' ND2' ' HB ' ' A' ' 66' ' ' VAL . 16.8 p-10 -83.13 142.23 31.39 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.777 -0.647 . . . . 72.2 110.037 178.107 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 41.4 p -57.19 -27.33 61.85 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 115.028 -0.987 . . . . 74.54 111.051 -179.671 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.468 ' HB ' ' ND2' ' A' ' 64' ' ' ASN . 35.3 t -56.97 -46.88 84.09 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-N 115.453 -0.794 . . . . 71.14 110.49 175.615 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.605 ' O ' ' HG3' ' A' ' 71' ' ' GLU . . . -68.53 -39.83 80.98 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.976 -0.557 . . . . 73.23 109.981 178.148 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 68' ' ' MET . . . . . 0.434 ' HB2' HD11 ' A' ' 122' ' ' LEU . 80.6 mmm -56.27 -43.4 78.72 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 115.65 -0.705 . . . . 73.24 111.272 177.614 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.887 ' HB3' HD13 ' A' ' 76' ' ' LEU . 1.5 mt -63.14 -34.62 78.01 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.189 -0.46 . . . . 72.35 110.837 179.513 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 70' ' ' ASN . . . . . 0.4 ' ND2' HD11 ' A' ' 76' ' ' LEU . 26.9 m-80 -72.52 -16.89 61.77 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.152 0.501 . . . . 74.54 110.143 178.885 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.605 ' HG3' ' O ' ' A' ' 67' ' ' ALA . 40.1 mt-10 -91.02 -17.66 25.9 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.722 -0.672 . . . . 61.12 110.445 178.098 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 61.2 mt -101.41 -69.11 0.79 Allowed 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.925 -0.58 . . . . 72.44 111.405 -178.631 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 21.5 mmm180 -132.31 109.01 9.58 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.114 -0.494 . . . . 61.34 110.704 -172.946 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 9.5 p-80 -81.29 159.88 24.34 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 109.48 -0.563 . . . . 74.12 109.48 176.365 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 99.31 24.75 9.97 Favored Glycine 0 N--CA 1.446 -0.65 0 N-CA-C 110.16 -1.176 . . . . 25.41 110.16 -168.295 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.887 HD13 ' HB3' ' A' ' 69' ' ' LEU . 1.7 pt? -97.42 117.01 30.72 Favored 'General case' 0 N--CA 1.448 -0.542 0 CA-C-N 114.612 -0.794 . . . . 72.11 110.17 -179.396 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.438 ' O ' ' HA ' ' A' ' 96' ' ' VAL . 4.2 mp -111.71 106.07 20.04 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.681 0 CA-C-N 116.507 -0.315 . . . . 63.13 110.865 -179.803 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 78' ' ' TYR . . . . . 0.578 ' CD2' ' HB ' ' A' ' 96' ' ' VAL . 81.4 m-85 -83.4 140.85 32.15 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 109.28 -0.637 . . . . 71.14 109.28 174.332 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 79' ' ' LYS . . . . . 0.401 ' HE3' ' HB3' ' A' ' 79' ' ' LYS . 8.1 ptpp? -151.02 151.44 32.05 Favored 'General case' 0 C--N 1.317 -0.832 0 N-CA-C 109.807 -0.442 . . . . 61.44 109.807 176.797 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 41.0 tp -91.55 106.28 18.37 Favored 'General case' 0 C--N 1.318 -0.782 0 N-CA-C 108.978 -0.749 . . . . 52.22 108.978 179.002 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -89.26 -24.1 22.17 Favored 'General case' 0 C--N 1.324 -0.528 0 C-N-CA 120.095 -0.642 . . . . 64.23 111.391 -175.888 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 62.2 m -157.21 150.56 23.96 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.675 0.274 . . . . 41.42 111.327 179.704 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 21.8 tm0? -143.64 117.47 9.33 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 109.133 -0.692 . . . . 73.2 109.133 175.323 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 19.3 p -145.91 141.25 27.61 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.474 -0.33 . . . . 62.45 111.21 -176.359 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 141.84 176.03 15.76 Favored Glycine 0 N--CA 1.45 -0.42 0 C-N-CA 120.29 -0.957 . . . . 65.44 112.991 174.846 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 59.0 Cg_endo -71.46 171.06 16.97 Favored 'Trans proline' 0 C--N 1.343 0.25 0 C-N-CA 123.004 2.469 . . . . 74.11 111.814 176.221 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 23.7 m -81.12 -18.78 11.67 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 C-N-CA 120.784 -0.366 . . . . 62.35 111.937 -178.391 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 32.9 p-80 -84.33 -27.95 27.41 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.948 0.404 . . . . 72.44 110.522 179.241 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -150.9 75.25 8.35 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-N 116.119 -0.491 . . . . 63.44 110.554 177.652 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 90' ' ' PRO . . . . . 0.505 ' O ' ' HA ' ' A' ' 108' ' ' ARG . 63.9 Cg_endo -78.96 156.42 26.76 Favored 'Trans proline' 0 N--CA 1.456 -0.698 0 C-N-CA 122.214 1.943 . . . . 75.34 111.547 179.652 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.507 HD11 ' HB3' ' A' ' 106' ' ' GLN . 22.7 tp -111.78 133.37 54.05 Favored 'General case' 0 C--N 1.315 -0.899 0 CA-C-O 121.092 0.472 . . . . 73.13 109.863 176.685 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.455 ' O ' ' HA ' ' A' ' 106' ' ' GLN . 12.1 m-85 -117.28 138.72 51.56 Favored 'General case' 0 C--N 1.312 -1.037 0 N-CA-C 108.752 -0.832 . . . . 74.12 108.752 178.233 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 93' ' ' THR . . . . . 0.457 HG22 HD11 ' A' ' 104' ' ' LEU . 26.9 m -120.08 103.4 9.25 Favored 'General case' 0 C--N 1.316 -0.884 0 CA-C-O 121.12 0.485 . . . . 65.34 110.26 -176.573 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 0.437 HG21 ' HA ' ' A' ' 114' ' ' ARG . 9.6 mm -101.37 131.42 49.18 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-N 115.356 -0.838 . . . . 73.42 110.202 -177.899 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 95' ' ' SER . . . . . 0.585 ' CB ' ' HD3' ' A' ' 102' ' ' LYS . 1.6 p -112.95 113.93 26.19 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-N 115.661 -0.699 . . . . 54.53 110.731 178.608 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.578 ' HB ' ' CD2' ' A' ' 78' ' ' TYR . 7.1 p -107.72 127.35 63.81 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-O 121.144 0.497 . . . . 55.11 109.863 177.05 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 11.4 tt0 -104.16 113.37 26.87 Favored 'General case' 0 C--N 1.313 -0.993 0 CA-C-N 116.124 -0.489 . . . . 75.44 110.135 -178.387 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 22.1 t -125.68 126.25 69.89 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.633 0 CA-C-N 115.406 -0.816 . . . . 71.51 110.33 -177.82 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 56.85 31.1 19.01 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 114.884 -1.053 . . . . 70.24 111.705 179.334 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 80.27 16.51 76.14 Favored Glycine 0 N--CA 1.45 -0.409 0 C-N-CA 120.624 -0.798 . . . . 72.5 112.343 -179.831 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 101' ' ' GLN . . . . . 0.444 ' HA ' ' NE2' ' A' ' 101' ' ' GLN . 13.0 mm-40 -122.16 120.89 35.55 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.201 0.524 . . . . 74.31 110.468 176.662 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 102' ' ' LYS . . . . . 0.585 ' HD3' ' CB ' ' A' ' 95' ' ' SER . 0.7 OUTLIER -90.74 107.48 19.21 Favored 'General case' 0 C--N 1.316 -0.885 0 CA-C-N 115.514 -0.767 . . . . 51.53 110.378 -177.76 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 103' ' ' TYR . . . . . 0.455 ' HB3' ' HB ' ' A' ' 120' ' ' THR . 74.1 m-85 -96.1 133.47 40.32 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.445 -0.798 . . . . 72.11 109.701 -179.931 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.457 HD11 HG22 ' A' ' 93' ' ' THR . 12.2 tp -103.88 143.88 32.26 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 116.288 -0.415 . . . . 43.05 111.229 -176.619 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 105' ' ' GLY . . . . . 0.495 ' HA3' ' N ' ' A' ' 117' ' ' ALA . . . -140.29 130.1 4.48 Favored Glycine 0 N--CA 1.445 -0.72 0 N-CA-C 111.195 -0.762 . . . . 75.43 111.195 175.658 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 106' ' ' GLN . . . . . 0.507 ' HB3' HD11 ' A' ' 91' ' ' LEU . 23.0 mt-30 -119.29 117.01 27.43 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 120.945 0.402 . . . . 75.04 110.321 -176.285 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -134.11 -172.41 12.85 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 121.041 -0.6 . . . . 64.52 111.999 -175.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 108' ' ' ARG . . . . . 0.505 ' HA ' ' O ' ' A' ' 90' ' ' PRO . 10.8 mmt180 -89.14 -3.73 58.52 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.098 0.475 . . . . 70.5 110.821 -175.552 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 44.2 m -160.46 169.3 23.3 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 109.089 -0.708 . . . . 72.14 109.089 -176.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 93.7 mttt -57.06 -44.11 82.71 Favored 'General case' 0 N--CA 1.463 0.181 0 CA-C-O 121.194 0.521 . . . . 65.11 109.855 178.539 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 13.3 tmtt? -62.89 -48.12 80.36 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.053 -0.976 . . . . 55.25 110.321 -177.657 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 112' ' ' VAL . . . . . 0.611 ' O ' ' HG2' ' A' ' 116' ' ' GLU . 32.1 t -62.62 -50.62 79.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 116.014 -0.539 . . . . 73.23 110.617 179.453 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -62.0 -39.45 92.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.086 -0.506 . . . . 60.5 111.601 -176.621 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 114' ' ' ARG . . . . . 0.456 ' HG3' ' CD2' ' A' ' 78' ' ' TYR . 14.6 ttm180 -62.24 -41.94 98.88 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.076 -0.511 . . . . 73.03 110.335 179.435 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 68.5 mt -62.14 -49.43 84.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 115.835 -0.621 . . . . 72.54 110.781 174.68 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 116' ' ' GLU . . . . . 0.611 ' HG2' ' O ' ' A' ' 112' ' ' VAL . 55.7 mm-40 -57.85 -37.49 73.96 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.603 -0.271 . . . . 64.22 111.446 179.568 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 117' ' ' ALA . . . . . 0.549 ' HB1' HG12 ' A' ' 96' ' ' VAL . . . -63.51 -49.53 73.17 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.089 0.471 . . . . 64.14 110.9 177.179 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 118' ' ' ALA . . . . . 0.478 ' O ' ' HG ' ' A' ' 122' ' ' LEU . . . -65.56 -31.7 72.89 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.665 -0.698 . . . . 73.53 111.152 -179.415 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -61.72 -43.14 99.42 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.202 -0.454 . . . . 70.13 110.499 178.21 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 120' ' ' THR . . . . . 0.455 ' HB ' ' HB3' ' A' ' 103' ' ' TYR . 24.7 m -60.22 -39.83 88.05 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.929 -0.578 . . . . 75.04 110.416 176.863 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -63.31 -50.36 70.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.942 -0.572 . . . . 74.03 110.722 178.21 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 122' ' ' LEU . . . . . 0.478 ' HG ' ' O ' ' A' ' 118' ' ' ALA . 47.7 mt -57.86 -49.75 75.64 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.145 -0.48 . . . . 62.14 111.19 -177.909 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 13.8 ptm180 -70.18 -13.93 62.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.315 -0.402 . . . . 65.14 111.124 -175.336 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 3.1 t -85.66 -26.22 26.12 Favored 'General case' 0 N--CA 1.449 -0.499 0 N-CA-C 109.566 -0.531 . . . . 64.34 109.566 177.679 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 125' ' ' PHE . . . . . 0.406 ' HB2' HD13 ' A' ' 126' ' ' ILE . 25.2 m-85 -80.32 -57.08 3.77 Favored 'General case' 0 CA--C 1.52 -0.175 0 CA-C-O 121.233 0.54 . . . . 61.12 110.201 177.895 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 126' ' ' ILE . . . . . 0.413 HD13 ' H ' ' A' ' 126' ' ' ILE . 0.2 OUTLIER -133.23 147.03 31.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 115.526 -0.761 . . . . 73.43 111.324 -174.839 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 15.4 mm-40 -153.24 128.01 9.5 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.453 -0.794 . . . . 54.41 109.996 174.215 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 34.3 m-85 -88.38 -15.14 36.36 Favored 'General case' 0 C--N 1.319 -0.734 0 N-CA-C 108.647 -0.871 . . . . 73.23 108.647 177.7 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 51.2 mttp -109.52 -165.77 1.04 Allowed 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 114.513 -1.221 . . . . 65.32 108.952 173.507 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 -74.97 -33.75 61.92 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 121.383 0.611 . . . . 71.21 109.574 176.101 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 77.31 15.31 81.63 Favored Glycine 0 N--CA 1.446 -0.648 0 CA-C-N 115.387 -0.824 . . . . 64.01 111.518 -178.924 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -107.27 138.27 43.76 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 120.823 0.344 . . . . 63.13 110.419 -178.014 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 47.6 t -108.09 107.81 23.72 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.716 0 CA-C-N 116.091 -0.504 . . . . 61.44 109.999 178.754 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 42.3 tp -83.29 79.97 9.23 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.53 0.681 . . . . 73.45 110.101 -179.467 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 50.0 m -154.68 140.77 12.81 Favored Pre-proline 0 C--N 1.319 -0.727 0 CA-C-N 115.267 -0.878 . . . . 72.14 109.058 178.031 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 136' ' ' PRO . . . . . . . . . . . . . 32.9 Cg_exo -61.08 105.58 0.34 Allowed 'Trans proline' 0 C--O 1.234 0.296 0 C-N-CA 122.503 2.136 . . . . 72.03 111.483 177.197 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 91.8 mt -102.42 161.98 13.28 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 116.034 -0.53 . . . . 60.32 110.181 -177.855 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 138' ' ' LYS . . . . . 0.412 ' HD3' ' N ' ' A' ' 138' ' ' LYS . 0.0 OUTLIER -103.2 142.74 25.19 Favored Pre-proline 0 C--N 1.318 -0.785 0 CA-C-N 116.14 -0.482 . . . . 54.3 109.82 -178.582 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 85.2 Cg_endo -82.25 -173.51 1.77 Allowed 'Trans proline' 0 N--CA 1.459 -0.543 0 C-N-CA 122.38 2.053 . . . . 71.21 112.037 179.773 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.229 0 CA-C-O 118.601 -0.714 . . . . 61.31 109.801 177.006 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 49.3 m . . . . . 0 N--CA 1.478 0.933 0 CA-C-O 120.654 0.264 . . . . 63.54 110.638 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -174.05 102.46 0.29 Allowed Pre-proline 0 C--N 1.33 -0.249 0 CA-C-N 116.216 -0.447 . . . . 74.1 110.785 178.069 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 19.3 Cg_endo -90.92 119.85 0.66 Allowed 'Trans proline' 0 N--CA 1.455 -0.791 0 C-N-CA 123.368 2.712 . . . . 73.13 112.252 178.86 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 29.3 mmtp -122.34 147.27 46.47 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.33 -0.396 . . . . 71.34 110.519 -179.234 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.489 ' HB3' ' HB3' ' A' ' 55' ' ' CYS . 46.2 mtmt -86.54 85.56 7.31 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 109.664 -0.495 . . . . 72.0 109.664 177.012 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.553 ' HD2' ' O ' ' A' ' 53' ' ' LYS . 1.0 OUTLIER -76.8 125.98 30.2 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.146 -0.479 . . . . 64.4 110.468 -179.805 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 54' ' ' MET . . . . . 0.549 ' CE ' ' HA ' ' A' ' 54' ' ' MET . 1.2 tpt 69.88 -27.62 0.16 Allowed 'General case' 0 N--CA 1.47 0.549 0 C-N-CA 123.643 0.777 . . . . 73.31 111.497 -176.702 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' CYS . . . . . 0.489 ' HB3' ' HB3' ' A' ' 52' ' ' LYS . 49.6 t -81.73 52.84 2.0 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.55 0.69 . . . . 74.42 109.698 176.799 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 45.5 mtpt -109.99 99.71 8.77 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.446 -0.797 . . . . 75.13 109.934 -178.769 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.495 ' CD ' ' H ' ' A' ' 57' ' ' GLU . 5.8 pm0 -55.2 -43.04 74.07 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.486 -0.779 . . . . 75.53 110.938 179.018 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.424 ' O ' ' HD3' ' A' ' 60' ' ' PRO . 48.9 ttp180 54.91 84.39 0.07 Allowed 'General case' 0 C--O 1.233 0.214 0 O-C-N 123.803 0.69 . . . . 75.22 111.385 175.837 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.6 HG21 ' HB2' ' A' ' 67' ' ' ALA . 61.3 mt -114.34 92.58 28.2 Favored Pre-proline 0 C--N 1.323 -0.579 0 CA-C-O 120.78 0.324 . . . . 75.21 110.607 178.165 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 60' ' ' PRO . . . . . 0.424 ' HD3' ' O ' ' A' ' 58' ' ' ARG . 4.9 Cg_exo -79.07 134.15 11.48 Favored 'Trans proline' 0 N--CA 1.46 -0.492 0 C-N-CA 123.085 2.523 . . . . 73.44 111.3 174.205 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 15.6 mm-40 60.45 76.67 0.41 Allowed Pre-proline 0 N--CA 1.464 0.241 0 O-C-N 123.665 0.603 . . . . 71.31 110.668 -177.726 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 8.0 Cg_exo -73.31 65.44 4.43 Favored 'Trans proline' 0 C--N 1.344 0.299 0 C-N-CA 123.37 2.713 . . . . 62.15 113.048 -175.26 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 60.9 mttp -93.85 8.18 42.14 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.361 0.601 . . . . 72.45 110.319 176.766 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 21.1 p-10 -107.65 140.57 40.47 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.6 -0.727 . . . . 74.54 110.197 176.164 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 40.5 p -63.39 -22.79 67.09 Favored 'General case' 0 C--N 1.316 -0.86 0 CA-C-N 114.901 -1.045 . . . . 52.03 111.446 -177.293 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.405 HG13 ' CE2' ' A' ' 78' ' ' TYR . 47.8 t -58.91 -40.67 80.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 115.524 -0.762 . . . . 70.21 110.689 177.495 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.6 ' HB2' HG21 ' A' ' 59' ' ' ILE . . . -70.96 -39.31 72.62 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.898 -0.592 . . . . 60.15 110.038 177.786 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 68' ' ' MET . . . . . 0.483 ' HB2' HD11 ' A' ' 122' ' ' LEU . 80.3 mmm -59.03 -44.12 91.72 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.383 -0.826 . . . . 75.31 110.718 178.214 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.773 ' HB3' HD13 ' A' ' 76' ' ' LEU . 0.9 OUTLIER -59.94 -37.98 81.09 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.811 -0.631 . . . . 72.54 111.086 -179.901 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 70' ' ' ASN . . . . . 0.447 ' ND2' HD11 ' A' ' 76' ' ' LEU . 20.5 m-80 -65.35 -26.43 68.02 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.937 0.399 . . . . 75.11 110.8 179.035 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 23.0 mt-10 -80.37 -24.09 40.01 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.213 -0.449 . . . . 73.23 110.747 178.962 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 76.2 mt -97.35 -51.79 4.04 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.362 -0.381 . . . . 74.21 111.857 -175.402 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -130.09 174.33 9.89 Favored 'General case' 0 N--CA 1.448 -0.557 0 CA-C-O 120.729 0.3 . . . . 62.32 110.829 -173.142 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 12.7 p-80 -127.93 166.71 17.8 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.129 -0.487 . . . . 73.14 110.178 176.047 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 75.51 28.65 61.12 Favored Glycine 0 N--CA 1.453 -0.171 0 C-N-CA 120.909 -0.663 . . . . 73.22 112.575 179.157 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.795 ' H ' HD23 ' A' ' 76' ' ' LEU . 0.7 OUTLIER -85.9 98.94 11.07 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.479 0.657 . . . . 74.12 111.106 -179.138 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.503 ' O ' ' HA ' ' A' ' 96' ' ' VAL . 3.6 mt -98.6 114.98 37.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-N 115.659 -0.701 . . . . 62.11 110.771 -179.642 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 78' ' ' TYR . . . . . 0.462 ' CD1' ' HG3' ' A' ' 114' ' ' ARG . 91.4 m-85 -93.79 120.67 34.36 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.609 -0.269 . . . . 54.14 110.42 177.379 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 17.3 ptpt -133.88 140.95 47.17 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-O 120.922 0.391 . . . . 74.24 110.582 178.639 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.468 HD22 ' HE2' ' A' ' 110' ' ' LYS . 47.0 tp -79.55 98.77 7.0 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 109.405 -0.591 . . . . 72.01 109.405 175.475 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -83.95 -24.88 30.47 Favored 'General case' 0 C--N 1.328 -0.369 0 C-N-CA 120.521 -0.472 . . . . 73.35 111.49 -175.663 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 70.6 m -157.83 144.35 17.74 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.871 0.367 . . . . 74.21 111.181 178.493 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 23.1 tm0? -132.64 111.5 11.24 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 108.989 -0.745 . . . . 71.35 108.989 173.079 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 84' ' ' THR . . . . . 0.568 ' O ' ' HB3' ' A' ' 91' ' ' LEU . 4.7 p -144.66 129.22 18.05 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.191 -0.459 . . . . 51.22 110.948 -175.416 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 164.05 177.05 36.49 Favored Glycine 0 N--CA 1.448 -0.533 0 C-N-CA 120.583 -0.818 . . . . 74.43 112.168 178.502 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 46.3 Cg_endo -70.12 166.14 29.05 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.59 2.193 . . . . 61.42 112.144 178.319 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 13.6 p -75.98 -26.07 17.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-O 120.783 0.325 . . . . 63.33 111.436 -178.388 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 39.6 p-80 -79.84 -28.33 40.1 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-O 120.839 0.352 . . . . 73.34 111.051 -179.137 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -148.78 71.57 10.48 Favored Pre-proline 0 C--N 1.328 -0.365 0 CA-C-N 116.301 -0.409 . . . . 51.13 110.705 178.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 90' ' ' PRO . . . . . 0.475 ' O ' ' HA ' ' A' ' 108' ' ' ARG . 37.9 Cg_endo -67.41 143.92 65.49 Favored 'Trans proline' 0 N--CA 1.464 -0.258 0 C-N-CA 122.602 2.201 . . . . 52.32 112.056 -177.14 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.568 ' HB3' ' O ' ' A' ' 84' ' ' THR . 26.4 tp -106.86 135.38 48.5 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.369 0.605 . . . . 75.22 110.651 179.625 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.49 ' O ' ' HA ' ' A' ' 106' ' ' GLN . 9.6 m-85 -113.85 142.01 46.62 Favored 'General case' 0 C--N 1.316 -0.879 0 CA-C-N 115.413 -0.812 . . . . 73.42 109.185 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 93' ' ' THR . . . . . 0.431 HG22 HD11 ' A' ' 104' ' ' LEU . 11.5 m -121.11 101.97 8.01 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-O 121.001 0.429 . . . . 74.31 110.079 -178.264 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 0.487 HG21 ' HA ' ' A' ' 114' ' ' ARG . 7.4 mm -98.76 127.67 51.12 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.75 0 CA-C-N 115.467 -0.788 . . . . 75.05 109.81 -179.761 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 95' ' ' SER . . . . . 0.566 ' HB2' ' HD3' ' A' ' 102' ' ' LYS . 5.0 p -106.65 131.88 53.28 Favored 'General case' 0 C--N 1.314 -0.953 0 CA-C-N 115.673 -0.694 . . . . 63.52 110.17 177.396 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.503 ' HA ' ' O ' ' A' ' 77' ' ' ILE . 7.2 p -127.15 123.34 62.01 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.793 0 CA-C-O 121.319 0.58 . . . . 61.03 110.026 175.515 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 16.7 tt0 -96.5 110.48 22.86 Favored 'General case' 0 C--N 1.314 -0.944 0 CA-C-N 115.909 -0.587 . . . . 71.02 109.707 -178.292 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 98' ' ' VAL . . . . . 0.42 ' HB ' ' CE2' ' A' ' 103' ' ' TYR . 39.6 t -120.68 124.93 73.45 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.841 0 CA-C-N 115.689 -0.687 . . . . 73.33 110.355 -175.533 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 14.8 t70 61.58 8.84 2.45 Favored 'General case' 0 N--CA 1.468 0.427 0 CA-C-N 115.439 -0.8 . . . . 71.21 111.291 -176.305 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 105.7 -13.55 46.34 Favored Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.93 -0.652 . . . . 40.21 111.769 -177.166 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 101' ' ' GLN . . . . . 0.525 ' HB3' ' CE2' ' A' ' 103' ' ' TYR . 11.9 tp60 -86.07 130.11 34.63 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 108.721 -0.844 . . . . 65.33 108.721 177.076 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 102' ' ' LYS . . . . . 0.566 ' HD3' ' HB2' ' A' ' 95' ' ' SER . 4.0 tmmm? -94.91 106.95 18.97 Favored 'General case' 0 C--N 1.318 -0.788 0 C-N-CA 120.09 -0.644 . . . . 61.44 110.046 -179.052 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 103' ' ' TYR . . . . . 0.525 ' CE2' ' HB3' ' A' ' 101' ' ' GLN . 89.4 m-85 -92.54 143.76 26.02 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 115.507 -0.769 . . . . 72.34 110.003 179.826 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.431 HD11 HG22 ' A' ' 93' ' ' THR . 12.5 tp -118.92 137.76 53.24 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 120.905 0.383 . . . . 72.25 110.731 -175.771 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 105' ' ' GLY . . . . . 0.458 ' HA3' ' N ' ' A' ' 117' ' ' ALA . . . -134.71 136.68 8.72 Favored Glycine 0 N--CA 1.443 -0.894 0 CA-C-N 115.743 -0.662 . . . . 52.43 111.48 178.253 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 106' ' ' GLN . . . . . 0.49 ' HA ' ' O ' ' A' ' 92' ' ' PHE . 29.4 mt-30 -124.99 133.28 53.06 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 110.313 -0.254 . . . . 71.23 110.313 -176.414 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -153.27 174.19 31.99 Favored Glycine 0 N--CA 1.446 -0.646 0 C-N-CA 120.952 -0.642 . . . . 73.54 111.729 -179.038 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 108' ' ' ARG . . . . . 0.475 ' HA ' ' O ' ' A' ' 90' ' ' PRO . 30.0 mmt180 -80.73 8.84 7.19 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 117.03 0.415 . . . . 75.35 111.8 -177.361 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 42.8 m -162.71 165.93 25.01 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 108.972 -0.751 . . . . 73.33 108.972 179.82 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 110' ' ' LYS . . . . . 0.468 ' HE2' HD22 ' A' ' 80' ' ' LEU . 97.8 mttt -58.22 -42.63 86.7 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 121.035 0.445 . . . . 53.12 110.168 176.878 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 51.3 tttt -58.23 -53.87 53.39 Favored 'General case' 0 N--CA 1.452 -0.332 0 CA-C-N 115.225 -0.898 . . . . 74.25 110.721 -179.384 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 112' ' ' VAL . . . . . 0.585 ' O ' ' HG2' ' A' ' 116' ' ' GLU . 22.0 t -59.43 -52.32 62.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 115.481 -0.781 . . . . 70.11 110.265 -178.243 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -58.2 -37.44 74.8 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.036 -0.529 . . . . 63.43 111.405 -177.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 114' ' ' ARG . . . . . 0.487 ' HA ' HG21 ' A' ' 94' ' ' ILE . 43.3 ttm180 -65.87 -46.17 79.41 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.074 -0.512 . . . . 71.24 110.649 179.057 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 63.2 mt -63.46 -45.12 98.76 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 116.029 -0.532 . . . . 75.35 111.004 176.411 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 116' ' ' GLU . . . . . 0.585 ' HG2' ' O ' ' A' ' 112' ' ' VAL . 49.9 mm-40 -61.58 -38.67 88.38 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 120.651 0.263 . . . . 61.42 110.821 177.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 117' ' ' ALA . . . . . 0.458 ' N ' ' HA3' ' A' ' 105' ' ' GLY . . . -61.33 -47.8 84.24 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-O 121.024 0.44 . . . . 72.11 110.585 176.928 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 118' ' ' ALA . . . . . 0.491 ' O ' ' HG ' ' A' ' 122' ' ' LEU . . . -63.6 -35.9 82.05 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.85 -0.614 . . . . 60.21 110.566 177.761 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -64.36 -35.97 82.6 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.828 -0.624 . . . . 62.23 110.59 178.008 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 120' ' ' THR . . . . . 0.529 ' HA ' ' NE ' ' A' ' 123' ' ' ARG . 50.5 m -63.6 -41.34 98.33 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.125 0.488 . . . . 72.42 110.277 176.355 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -64.59 -48.44 74.94 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.977 -0.556 . . . . 62.24 110.457 177.653 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 122' ' ' LEU . . . . . 0.574 ' O ' HD13 ' A' ' 126' ' ' ILE . 48.3 mt -55.54 -52.57 63.25 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.402 -0.363 . . . . 63.15 110.827 179.186 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 123' ' ' ARG . . . . . 0.529 ' NE ' ' HA ' ' A' ' 120' ' ' THR . 14.3 ptp180 -65.11 -13.6 58.45 Favored 'General case' 0 CA--C 1.534 0.336 0 CA-C-N 115.974 -0.557 . . . . 74.42 111.217 -175.162 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 64.0 m -84.19 -27.46 28.01 Favored 'General case' 0 N--CA 1.439 -1.002 0 CA-C-N 116.409 -0.36 . . . . 60.24 111.385 174.881 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 23.3 m-85 -83.48 -49.07 9.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.304 -0.407 . . . . 65.31 111.153 -176.936 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 126' ' ' ILE . . . . . 0.574 HD13 ' O ' ' A' ' 122' ' ' LEU . 0.2 OUTLIER -117.81 -165.94 0.37 Allowed 'Isoleucine or valine' 0 N--CA 1.45 -0.425 0 N-CA-C 109.732 -0.47 . . . . 74.23 109.732 -179.108 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 127' ' ' GLN . . . . . 0.606 ' HG2' ' H ' ' A' ' 128' ' ' PHE . 7.5 tt0 -82.51 -171.9 3.74 Favored 'General case' 0 C--N 1.315 -0.899 0 CA-C-N 116.339 -0.391 . . . . 74.25 111.232 -174.613 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 128' ' ' PHE . . . . . 0.606 ' H ' ' HG2' ' A' ' 127' ' ' GLN . 66.6 m-85 64.65 78.03 0.3 Allowed 'General case' 0 N--CA 1.466 0.326 0 C-N-CA 122.767 0.427 . . . . 65.3 110.499 -177.227 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 129' ' ' LYS . . . . . 0.483 ' HG2' ' O ' ' A' ' 129' ' ' LYS . 0.4 OUTLIER -146.21 77.31 1.48 Allowed 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 112.84 0.681 . . . . 73.54 112.84 -174.442 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 66.27 -63.88 0.23 Allowed 'General case' 0 N--CA 1.474 0.749 0 CA-C-N 115.755 -0.657 . . . . 51.4 112.714 172.933 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 104.53 0.22 43.17 Favored Glycine 0 N--CA 1.446 -0.672 0 N-CA-C 111.336 -0.705 . . . . 64.04 111.336 -173.766 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -117.8 129.78 55.88 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.671 0.272 . . . . 64.53 110.615 -179.573 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 60.0 t -115.59 107.51 22.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-N 116.355 -0.384 . . . . 65.42 110.331 -179.196 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -85.87 97.45 10.21 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 109.766 -0.457 . . . . 74.43 109.766 -179.158 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 66.9 m -156.19 153.3 25.11 Favored Pre-proline 0 C--N 1.321 -0.661 0 CA-C-N 115.537 -0.756 . . . . 70.12 109.306 176.888 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 136' ' ' PRO . . . . . . . . . . . . . 17.1 Cg_exo -67.36 89.99 0.33 Allowed 'Trans proline' 0 C--N 1.343 0.268 0 C-N-CA 122.576 2.184 . . . . 73.21 112.044 177.95 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 3.8 pp -160.48 149.06 16.71 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.951 -0.568 . . . . 74.51 110.504 178.252 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 5.1 mptp? -102.81 153.54 38.15 Favored Pre-proline 0 C--N 1.322 -0.603 0 CA-C-N 115.879 -0.6 . . . . 75.32 110.371 178.225 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 29.9 Cg_endo -63.95 151.91 83.17 Favored 'Trans proline' 0 C--O 1.235 0.366 0 C-N-CA 122.615 2.21 . . . . 64.31 112.331 178.209 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.034 0 CA-C-O 118.61 -0.71 . . . . 65.22 110.209 -179.86 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 23.0 p . . . . . 0 N--CA 1.478 0.953 0 CA-C-O 120.968 0.413 . . . . 72.23 110.767 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 34.6 m-20 -108.18 106.64 59.01 Favored Pre-proline 0 C--N 1.327 -0.38 0 CA-C-N 116.437 -0.347 . . . . 71.33 110.388 179.395 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 21.4 Cg_exo -65.77 -52.84 0.86 Allowed 'Trans proline' 0 C--N 1.343 0.271 0 C-N-CA 122.896 2.397 . . . . 64.24 112.215 -179.601 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.416 ' HD3' ' HA ' ' A' ' 51' ' ' LYS . 31.6 mmtm -140.28 89.85 2.32 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.209 0.528 . . . . 73.22 111.823 -178.794 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 43.4 mttp -125.45 103.29 7.81 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.393 -0.821 . . . . 73.43 109.601 171.395 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 38.5 ttmt -76.68 118.91 19.78 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 108.937 -0.764 . . . . 65.01 108.937 175.418 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 25.7 ttt -63.87 103.93 0.63 Allowed 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.131 -0.486 . . . . 74.11 111.308 -175.477 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 24.5 p -98.65 126.39 44.24 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.824 -0.625 . . . . 32.32 109.814 177.007 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.422 ' HD2' ' HA ' ' A' ' 56' ' ' LYS . 27.1 mmmt -87.11 151.81 22.89 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.301 -0.409 . . . . 64.52 111.297 -177.098 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.555 ' CD ' ' H ' ' A' ' 57' ' ' GLU . 1.9 mp0 -52.16 -59.61 4.18 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.265 -0.879 . . . . 72.14 110.767 -179.836 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.509 ' HE ' ' HA ' ' A' ' 58' ' ' ARG . 1.5 tpm_? -100.0 132.34 45.42 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.742 -0.663 . . . . 72.31 110.183 179.781 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 48.1 mm -115.38 91.07 27.15 Favored Pre-proline 0 C--N 1.325 -0.468 0 CA-C-O 120.972 0.415 . . . . 75.51 110.049 176.539 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 91.5 Cg_endo -95.35 -158.77 0.05 OUTLIER 'Trans proline' 0 N--CA 1.452 -0.946 0 C-N-CA 123.233 2.622 . . . . 73.24 112.466 179.526 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 25.2 mp0 -71.59 165.94 44.26 Favored Pre-proline 0 C--N 1.323 -0.562 0 CA-C-N 115.93 -0.577 . . . . 73.34 110.995 -179.006 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 12.6 Cg_exo -70.24 65.85 2.07 Favored 'Trans proline' 0 C--N 1.353 0.781 0 C-N-CA 123.211 2.607 . . . . 61.41 113.078 -179.097 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.415 ' HD2' ' N ' ' A' ' 64' ' ' ASN . 0.3 OUTLIER -79.41 -11.73 59.91 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.893 -0.594 . . . . 73.22 110.706 175.267 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 64' ' ' ASN . . . . . 0.415 ' N ' ' HD2' ' A' ' 63' ' ' LYS . 13.9 p-10 -116.36 136.89 52.6 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.546 0.689 . . . . 71.11 110.328 178.622 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 39.4 p -59.91 -24.79 64.6 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 114.593 -1.185 . . . . 71.52 111.605 -177.209 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 46.8 t -56.43 -44.8 81.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 115.592 -0.731 . . . . 41.11 110.881 177.823 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -68.42 -40.04 81.37 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.153 -0.476 . . . . 62.14 110.095 178.938 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 75.4 mmm -57.94 -40.48 80.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.376 -0.829 . . . . 74.12 111.101 179.053 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.812 ' HB3' HD13 ' A' ' 76' ' ' LEU . 1.3 mt -62.57 -41.52 98.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.956 -0.565 . . . . 63.21 111.127 -179.757 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 41.9 m-80 -61.08 -26.81 67.91 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-N 116.319 -0.4 . . . . 75.34 110.661 179.226 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 16.0 mt-10 -82.05 -26.89 33.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 63.24 111.217 179.567 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 49.6 mt -85.28 -59.67 2.26 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 111.999 0.37 . . . . 64.13 111.999 -176.114 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' ARG . . . . . 0.646 ' HG2' ' HB2' ' A' ' 99' ' ' ASP . 26.4 tpt180 -142.02 122.79 14.33 Favored 'General case' 0 N--CA 1.447 -0.613 0 C-N-CA 121.058 -0.257 . . . . 71.4 110.939 -173.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 3.3 p-80 -71.6 157.34 38.15 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.628 -0.508 . . . . 51.2 109.628 174.437 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 88.65 41.52 6.01 Favored Glycine 0 N--CA 1.444 -0.785 0 C-N-CA 120.216 -0.992 . . . . 44.15 110.885 -175.897 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.812 HD13 ' HB3' ' A' ' 69' ' ' LEU . 1.0 OUTLIER -105.11 96.91 6.86 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.398 0.618 . . . . 70.23 109.944 178.092 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.534 ' O ' ' HA ' ' A' ' 96' ' ' VAL . 5.0 mp -99.16 107.27 20.26 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 CA-C-N 115.935 -0.575 . . . . 72.11 110.962 -176.826 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 78' ' ' TYR . . . . . 0.531 ' CD2' ' HB ' ' A' ' 96' ' ' VAL . 88.9 m-85 -85.92 127.02 34.51 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 109.582 -0.525 . . . . 63.04 109.582 175.652 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 79' ' ' LYS . . . . . 0.473 ' HG2' ' O ' ' A' ' 95' ' ' SER . 15.5 ptpt -134.53 132.79 39.58 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-O 120.917 0.389 . . . . 53.33 110.397 178.895 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.484 HD22 ' HE2' ' A' ' 110' ' ' LYS . 54.2 tp -78.18 99.48 6.23 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 109.158 -0.682 . . . . 73.01 109.158 175.725 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -87.33 -34.39 18.86 Favored 'General case' 0 C--N 1.321 -0.637 0 C-N-CA 120.584 -0.446 . . . . 73.2 111.257 -175.224 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 82' ' ' SER . . . . . 0.52 ' HB2' ' HB ' ' A' ' 93' ' ' THR . 21.8 m -139.36 142.04 37.59 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.414 -0.357 . . . . 74.44 111.071 -175.318 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 20.3 tm0? -143.83 119.37 10.37 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 109.2 -0.667 . . . . 74.54 109.2 175.406 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 9.2 p -144.12 140.06 29.21 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.528 -0.305 . . . . 73.23 111.281 -177.535 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 133.86 172.82 13.0 Favored Glycine 0 N--CA 1.445 -0.726 0 C-N-CA 120.545 -0.836 . . . . 74.32 112.75 175.685 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 57.6 Cg_endo -69.73 176.75 6.33 Favored 'Trans proline' 0 C--O 1.223 -0.226 0 C-N-CA 123.28 2.653 . . . . 70.42 111.737 176.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 27.4 m -86.01 -20.86 7.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 C-N-CA 120.78 -0.368 . . . . 75.31 111.116 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 38.6 p-80 -78.45 -24.52 46.0 Favored 'General case' 0 C--N 1.331 -0.231 0 C-N-CA 120.846 -0.341 . . . . 74.21 110.259 177.704 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -155.4 77.36 4.84 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-N 116.149 -0.478 . . . . 62.24 110.623 177.237 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 90' ' ' PRO . . . . . 0.496 ' O ' ' HA ' ' A' ' 108' ' ' ARG . 10.4 Cg_endo -88.07 141.85 5.28 Favored 'Trans proline' 0 N--CA 1.453 -0.859 0 C-N-CA 122.877 2.385 . . . . 72.11 112.19 -179.14 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 26.9 tp -96.63 135.05 39.08 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-O 121.483 0.658 . . . . 72.11 110.182 176.383 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 30.9 m-85 -119.18 135.77 54.51 Favored 'General case' 0 C--N 1.314 -0.959 0 CA-C-N 115.205 -0.907 . . . . 72.42 109.018 178.876 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 93' ' ' THR . . . . . 0.533 HG23 ' HG2' ' A' ' 106' ' ' GLN . 16.4 m -119.24 104.04 10.05 Favored 'General case' 0 C--N 1.315 -0.9 0 CA-C-N 116.252 -0.431 . . . . 55.5 110.177 -178.055 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 6.1 mm -101.06 128.73 52.98 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.817 0 CA-C-N 115.589 -0.732 . . . . 72.41 109.881 -179.1 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 95' ' ' SER . . . . . 0.473 ' O ' ' HG2' ' A' ' 79' ' ' LYS . 1.4 p -110.5 121.75 46.07 Favored 'General case' 0 C--N 1.312 -1.026 0 N-CA-C 109.85 -0.426 . . . . 42.53 109.85 174.749 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.59 HG12 ' HB1' ' A' ' 117' ' ' ALA . 7.4 p -111.84 122.71 66.68 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.784 0 CA-C-O 121.42 0.629 . . . . 72.1 110.046 176.815 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 97' ' ' GLU . . . . . 0.483 ' HA ' ' HA ' ' A' ' 102' ' ' LYS . 12.4 tt0 -101.12 109.78 21.71 Favored 'General case' 0 C--N 1.311 -1.084 0 N-CA-C 109.122 -0.696 . . . . 75.41 109.122 178.86 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 15.0 t -115.28 122.77 69.94 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.731 0 CA-C-N 115.576 -0.738 . . . . 44.44 110.103 -175.394 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 99' ' ' ASP . . . . . 0.646 ' HB2' ' HG2' ' A' ' 73' ' ' ARG . 33.9 t70 60.74 8.52 1.82 Allowed 'General case' 0 N--CA 1.47 0.54 0 CA-C-N 115.703 -0.68 . . . . 72.55 111.904 -179.004 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 111.43 -9.53 28.52 Favored Glycine 0 N--CA 1.449 -0.441 0 C-N-CA 121.07 -0.586 . . . . 52.31 112.337 -177.814 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 5.8 mm100 -96.95 124.26 40.88 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 110.37 -0.233 . . . . 73.31 110.37 177.464 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 102' ' ' LYS . . . . . 0.483 ' HA ' ' HA ' ' A' ' 97' ' ' GLU . 0.0 OUTLIER -95.04 116.32 28.55 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 121.038 0.447 . . . . 74.54 110.8 -177.546 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 54.1 m-85 -106.88 132.63 52.62 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.718 -0.673 . . . . 71.31 109.898 178.568 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.429 HD11 HG22 ' A' ' 93' ' ' THR . 13.6 tp -102.92 141.71 35.26 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 120.759 0.314 . . . . 62.22 110.801 -176.875 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -136.39 133.08 6.37 Favored Glycine 0 N--CA 1.447 -0.591 0 C-N-CA 121.039 -0.6 . . . . 31.34 111.679 177.373 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 106' ' ' GLN . . . . . 0.533 ' HG2' HG23 ' A' ' 93' ' ' THR . 32.7 mt-30 -124.4 122.86 38.82 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 120.919 0.39 . . . . 74.03 111.081 -176.561 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -143.57 177.05 22.61 Favored Glycine 0 N--CA 1.449 -0.451 0 N-CA-C 111.259 -0.736 . . . . 71.33 111.259 -178.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 108' ' ' ARG . . . . . 0.496 ' HA ' ' O ' ' A' ' 90' ' ' PRO . 20.7 mmt180 -86.77 12.1 11.65 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 117.473 0.637 . . . . 74.1 110.712 -177.188 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 109' ' ' SER . . . . . 0.509 ' HB2' HG23 ' A' ' 112' ' ' VAL . 25.3 m -161.5 159.7 28.23 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 109.101 -0.703 . . . . 41.45 109.101 -179.476 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 110' ' ' LYS . . . . . 0.484 ' HE2' HD22 ' A' ' 80' ' ' LEU . 99.5 mttt -58.45 -43.84 88.96 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-O 121.098 0.475 . . . . 73.11 110.068 178.159 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 59.1 tttt -55.43 -52.4 63.73 Favored 'General case' 0 N--CA 1.453 -0.318 0 CA-C-N 115.119 -0.946 . . . . 63.33 110.952 178.127 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 112' ' ' VAL . . . . . 0.509 HG23 ' HB2' ' A' ' 109' ' ' SER . 31.3 t -61.98 -49.92 82.2 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 115.527 -0.76 . . . . 52.12 110.721 -177.69 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -58.94 -38.04 78.1 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.966 -0.561 . . . . 61.34 111.324 -178.327 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 61.2 ttt180 -65.59 -41.99 92.21 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.931 -0.577 . . . . 75.43 110.526 179.228 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 73.3 mt -63.95 -47.37 90.83 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.342 0 CA-C-N 116.049 -0.523 . . . . 74.0 111.147 175.39 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 116' ' ' GLU . . . . . 0.444 ' HG2' ' O ' ' A' ' 112' ' ' VAL . 5.8 mm-40 -59.43 -38.94 81.97 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.024 0.44 . . . . 64.34 111.257 179.402 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 117' ' ' ALA . . . . . 0.59 ' HB1' HG12 ' A' ' 96' ' ' VAL . . . -63.97 -47.23 81.2 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.034 -0.53 . . . . 63.14 110.384 177.246 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 118' ' ' ALA . . . . . 0.545 ' O ' ' HG ' ' A' ' 122' ' ' LEU . . . -66.39 -34.12 77.25 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.647 -0.706 . . . . 75.45 111.464 -179.393 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -61.36 -43.53 98.72 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 121.108 0.48 . . . . 41.42 110.298 178.531 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 120' ' ' THR . . . . . 0.456 ' O ' ' HG2' ' A' ' 123' ' ' ARG . 25.7 m -62.51 -38.78 91.28 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.411 -0.813 . . . . 74.14 110.361 177.373 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -61.45 -51.59 68.07 Favored 'General case' 0 N--CA 1.45 -0.437 0 CA-C-N 115.745 -0.661 . . . . 33.3 110.652 178.069 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 122' ' ' LEU . . . . . 0.545 ' HG ' ' O ' ' A' ' 118' ' ' ALA . 44.3 mt -54.86 -49.14 71.86 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.889 0.376 . . . . 62.34 111.025 -177.888 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 123' ' ' ARG . . . . . 0.456 ' HG2' ' O ' ' A' ' 120' ' ' THR . 3.8 ptm180 -68.63 -12.05 60.86 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.913 -0.585 . . . . 71.3 111.336 -175.718 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 25.2 t -88.79 -26.06 21.91 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.692 -0.231 . . . . 73.21 111.01 175.591 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 68.7 m-85 -82.6 -55.76 4.27 Favored 'General case' 0 CA--C 1.518 -0.288 0 CA-C-O 120.814 0.34 . . . . 65.24 110.811 -178.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 126' ' ' ILE . . . . . 0.526 HD13 ' H ' ' A' ' 126' ' ' ILE . 0.2 OUTLIER -118.71 132.6 68.1 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.545 0 CA-C-O 121.529 0.68 . . . . 74.54 110.529 -178.359 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 18.6 mp0 -131.63 -30.6 1.64 Allowed 'General case' 0 C--N 1.315 -0.921 0 CA-C-N 115.391 -0.822 . . . . 74.24 109.864 178.798 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 67.0 m-85 61.17 60.37 1.78 Allowed 'General case' 0 C--O 1.233 0.2 0 CA-C-N 115.478 -0.783 . . . . 75.02 110.209 -178.055 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 129' ' ' LYS . . . . . 0.409 ' HG3' ' N ' ' A' ' 130' ' ' ASP . 57.2 tptt -84.68 169.68 14.06 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 114.608 -1.178 . . . . 70.14 109.506 179.885 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 130' ' ' ASP . . . . . 0.409 ' N ' ' HG3' ' A' ' 129' ' ' LYS . 7.5 m-20 -58.7 -41.11 85.51 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.937 0.398 . . . . 70.33 110.649 178.182 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 89.54 -39.77 3.09 Favored Glycine 0 N--CA 1.45 -0.412 0 N-CA-C 111.315 -0.714 . . . . 74.01 111.315 179.636 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -78.11 131.53 37.3 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.389 -0.406 . . . . 64.52 110.208 176.222 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 9.8 m -115.17 123.41 70.75 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-O 121.001 0.429 . . . . 72.33 110.719 -179.335 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 42.7 tp -90.96 87.94 6.82 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.05 -0.523 . . . . 71.41 110.573 -178.173 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 10.5 p -169.02 142.28 2.28 Favored Pre-proline 0 C--N 1.323 -0.575 0 CA-C-N 115.388 -0.824 . . . . 64.14 109.697 179.101 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 136' ' ' PRO . . . . . . . . . . . . . 35.9 Cg_endo -66.19 90.31 0.26 Allowed 'Trans proline' 0 C--O 1.235 0.335 0 C-N-CA 122.483 2.122 . . . . 74.43 112.262 179.863 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 3.9 pp -133.36 168.31 18.83 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.973 -0.558 . . . . 74.01 110.611 -179.751 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 48.9 tptt -111.1 103.43 54.87 Favored Pre-proline 0 C--N 1.323 -0.558 0 N-CA-C 109.457 -0.572 . . . . 60.41 109.457 177.305 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 65.6 Cg_endo -74.95 137.03 21.3 Favored 'Trans proline' 0 C--O 1.236 0.399 0 C-N-CA 122.56 2.173 . . . . 74.41 112.987 -175.703 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.031 0 CA-C-O 118.551 -0.738 . . . . 54.43 109.594 174.377 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 33.1 m . . . . . 0 N--CA 1.477 0.895 0 N-CA-C 109.51 -0.552 . . . . 63.25 109.51 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -122.33 116.89 29.47 Favored Pre-proline 0 C--N 1.321 -0.646 0 CA-C-N 115.671 -0.695 . . . . 75.05 110.355 -174.36 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 21.3 Cg_exo -65.69 138.8 55.33 Favored 'Trans proline' 0 C--O 1.233 0.253 0 C-N-CA 122.772 2.315 . . . . 73.35 111.752 177.321 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 37.6 ttpt -90.39 141.62 28.55 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.923 0.392 . . . . 63.41 110.193 -179.574 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.729 ' HD3' ' H ' ' A' ' 52' ' ' LYS . 0.2 OUTLIER -120.71 145.99 46.92 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 116.094 -0.503 . . . . 73.33 109.862 -178.96 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 18.3 ptpt -79.31 137.12 37.22 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 109.505 -0.554 . . . . 73.32 109.505 175.3 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 53.5 ttp -84.2 75.68 10.17 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 121.304 0.573 . . . . 72.43 109.978 -179.19 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 69.9 m -118.88 84.06 2.13 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 115.326 -0.852 . . . . 74.14 109.031 174.945 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 37.3 ttpt -75.39 -27.55 59.12 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.363 -0.835 . . . . 72.35 110.05 -177.586 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -95.01 109.68 21.69 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.77 -0.65 . . . . 74.24 109.523 178.134 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 85.5 mtt180 -106.48 165.29 11.38 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 121.337 0.589 . . . . 65.34 111.588 -173.398 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 25.8 pt -92.8 160.06 34.87 Favored Pre-proline 0 C--N 1.323 -0.552 0 CA-C-N 115.29 -0.868 . . . . 53.43 111.16 -176.387 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 39.5 Cg_exo -58.46 162.09 13.07 Favored 'Trans proline' 0 C--N 1.348 0.505 0 C-N-CA 122.899 2.399 . . . . 64.31 111.756 175.059 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' GLN . . . . . 0.513 ' HA ' ' HD3' ' A' ' 62' ' ' PRO . 19.5 mm-40 -129.79 127.58 22.86 Favored Pre-proline 0 C--N 1.321 -0.657 0 N-CA-C 112.432 0.53 . . . . 72.1 112.432 -172.938 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 62' ' ' PRO . . . . . 0.513 ' HD3' ' HA ' ' A' ' 61' ' ' GLN . 4.8 Cg_exo -75.42 46.18 1.57 Allowed 'Trans proline' 0 C--O 1.234 0.296 0 C-N-CA 123.581 2.854 . . . . 75.5 111.276 173.707 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 79.1 mttt 58.93 92.68 0.04 OUTLIER 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.089 -0.96 . . . . 51.43 112.345 -177.226 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' ASN . . . . . 0.596 ' ND2' ' HB ' ' A' ' 66' ' ' VAL . 12.7 p-10 -77.35 147.7 36.0 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.097 -0.956 . . . . 54.25 110.263 175.865 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.525 ' HA ' ' HG3' ' A' ' 68' ' ' MET . 30.7 p -59.42 -27.38 65.99 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 115.176 -0.92 . . . . 60.52 111.009 -179.915 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.596 ' HB ' ' ND2' ' A' ' 64' ' ' ASN . 33.4 t -57.76 -39.21 69.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 115.262 -0.881 . . . . 71.13 110.557 176.105 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -69.5 -38.28 77.56 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.962 -0.563 . . . . 70.4 110.339 178.786 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' MET . . . . . 0.525 ' HG3' ' HA ' ' A' ' 65' ' ' THR . 15.7 mtp -65.36 -36.37 83.79 Favored 'General case' 0 CA--C 1.521 -0.154 0 CA-C-N 115.991 -0.55 . . . . 74.34 109.823 179.169 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.848 ' HB3' HD13 ' A' ' 76' ' ' LEU . 1.8 mt -62.78 -35.27 79.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.897 -0.592 . . . . 71.03 111.067 178.88 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 20.6 m-80 -69.92 -24.49 63.38 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.309 0.576 . . . . 73.53 110.232 179.384 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -82.49 -25.93 33.04 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.303 -0.862 . . . . 60.43 110.723 177.716 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 85.6 mt -90.2 -65.57 1.0 Allowed 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.304 -0.407 . . . . 71.13 111.637 -177.589 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' ARG . . . . . 0.634 ' HG2' ' HB2' ' A' ' 99' ' ' ASP . 10.7 tpt180 -143.1 117.5 9.66 Favored 'General case' 0 N--CA 1.449 -0.481 0 CA-C-O 120.498 0.19 . . . . 74.43 110.66 -172.587 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 4.8 p-80 -72.15 161.33 31.03 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 109.706 -0.479 . . . . 75.34 109.706 173.833 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' GLY . . . . . 0.447 ' O ' ' HA ' ' A' ' 98' ' ' VAL . . . 90.41 44.12 4.73 Favored Glycine 0 N--CA 1.438 -1.178 0 C-N-CA 120.0 -1.095 . . . . 71.31 110.474 -174.025 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.848 HD13 ' HB3' ' A' ' 69' ' ' LEU . 0.9 OUTLIER -110.1 94.57 5.08 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.424 0.63 . . . . 75.13 109.919 179.548 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.425 ' O ' ' HA ' ' A' ' 96' ' ' VAL . 5.0 mp -95.25 110.02 23.38 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.761 0 CA-C-N 116.006 -0.543 . . . . 55.32 110.731 -176.062 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 78' ' ' TYR . . . . . 0.51 ' CD1' ' HB ' ' A' ' 96' ' ' VAL . 86.9 m-85 -89.54 129.36 36.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.137 -0.483 . . . . 64.22 110.214 176.32 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 17.4 ptpt -139.74 143.68 37.11 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 116.386 -0.37 . . . . 45.33 110.23 175.758 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.519 HD22 ' HE2' ' A' ' 110' ' ' LYS . 40.4 tp -82.66 118.75 23.56 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 109.379 -0.6 . . . . 72.13 109.379 177.758 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 81' ' ' GLU . . . . . 0.402 ' OE1' ' HB3' ' A' ' 95' ' ' SER . 7.6 pt-20 -106.22 -30.44 9.2 Favored 'General case' 0 C--N 1.323 -0.549 0 C-N-CA 119.999 -0.68 . . . . 73.23 111.97 -178.767 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 82' ' ' SER . . . . . 0.543 ' HB2' ' HB ' ' A' ' 93' ' ' THR . 50.5 m -139.72 146.1 39.17 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 120.735 0.303 . . . . 74.55 110.592 -179.918 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 22.0 tm0? -148.24 124.1 10.61 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 109.751 -0.463 . . . . 73.23 109.751 178.385 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 19.4 p -143.89 -168.16 2.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.262 -0.426 . . . . 51.34 110.529 -179.149 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 92.41 179.96 40.73 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.947 -0.644 . . . . 60.24 113.047 175.286 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -71.15 -163.48 0.13 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 123.515 2.81 . . . . 64.03 112.348 177.146 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 35.4 m -104.42 -23.98 4.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 C-N-CA 120.705 -0.398 . . . . 72.51 110.794 176.915 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 50.3 p-80 -83.38 -26.34 30.55 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.13 -0.486 . . . . 62.32 110.538 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -156.1 70.57 5.11 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 120.839 0.352 . . . . 73.25 110.655 179.24 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 90' ' ' PRO . . . . . 0.538 ' O ' ' HA ' ' A' ' 108' ' ' ARG . 3.2 Cg_exo -77.47 178.41 7.66 Favored 'Trans proline' 0 N--CA 1.457 -0.653 0 C-N-CA 122.732 2.288 . . . . 63.01 112.213 -176.727 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 19.2 tp -121.47 130.7 53.72 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 115.826 -0.625 . . . . 72.0 110.035 175.363 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.497 ' O ' ' HA ' ' A' ' 106' ' ' GLN . 25.4 m-85 -118.38 137.55 53.05 Favored 'General case' 0 C--N 1.31 -1.111 0 CA-C-N 115.274 -0.875 . . . . 73.2 109.186 -178.742 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 93' ' ' THR . . . . . 0.543 ' HB ' ' HB2' ' A' ' 82' ' ' SER . 6.7 m -117.13 103.24 10.01 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-O 121.179 0.514 . . . . 45.45 110.149 -178.594 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 7.1 mm -98.87 127.63 51.29 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.857 0 CA-C-N 115.407 -0.815 . . . . 73.42 109.801 -178.343 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 95' ' ' SER . . . . . 0.567 ' CB ' ' HD3' ' A' ' 102' ' ' LYS . 0.3 OUTLIER -101.97 120.18 39.98 Favored 'General case' 0 C--N 1.311 -1.096 0 CA-C-N 115.812 -0.631 . . . . 63.34 109.832 174.106 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.537 HG12 ' HB1' ' A' ' 117' ' ' ALA . 9.4 p -108.61 124.98 65.5 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.828 0 CA-C-O 121.361 0.6 . . . . 74.11 110.091 176.941 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 20.9 tt0 -101.3 110.73 22.78 Favored 'General case' 0 C--N 1.309 -1.175 0 CA-C-N 115.505 -0.771 . . . . 72.21 109.047 177.462 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 98' ' ' VAL . . . . . 0.447 ' HA ' ' O ' ' A' ' 75' ' ' GLY . 13.9 t -123.0 129.41 75.11 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 CA-C-N 115.898 -0.592 . . . . 62.31 109.999 -176.093 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 99' ' ' ASP . . . . . 0.634 ' HB2' ' HG2' ' A' ' 73' ' ' ARG . 28.4 t70 66.81 -11.61 0.25 Allowed 'General case' 0 N--CA 1.471 0.587 0 CA-C-O 121.36 0.6 . . . . 54.55 111.928 179.515 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 100' ' ' GLY . . . . . 0.441 ' H ' ' C ' ' A' ' 98' ' ' VAL . . . 119.19 3.42 13.08 Favored Glycine 0 N--CA 1.446 -0.672 0 N-CA-C 111.499 -0.64 . . . . 74.33 111.499 -173.802 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 10.5 mm100 -110.68 136.94 49.01 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.805 0.336 . . . . 74.51 110.702 176.023 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 102' ' ' LYS . . . . . 0.567 ' HD3' ' CB ' ' A' ' 95' ' ' SER . 1.8 tmmm? -102.22 117.55 35.01 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-O 121.185 0.517 . . . . 73.13 110.106 -176.148 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 103' ' ' TYR . . . . . 0.484 ' HB3' ' HB ' ' A' ' 120' ' ' THR . 48.8 m-85 -108.55 148.92 29.58 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 115.445 -0.798 . . . . 74.13 109.544 178.378 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.433 HD11 HG22 ' A' ' 93' ' ' THR . 13.3 tp -114.59 147.75 39.04 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 120.758 0.313 . . . . 54.54 110.73 -175.779 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 105' ' ' GLY . . . . . 0.455 ' HA3' ' N ' ' A' ' 117' ' ' ALA . . . -147.91 137.33 6.45 Favored Glycine 0 N--CA 1.445 -0.709 0 N-CA-C 111.533 -0.627 . . . . 75.23 111.533 176.864 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 106' ' ' GLN . . . . . 0.517 ' HG2' HG23 ' A' ' 93' ' ' THR . 21.7 mt-30 -121.74 122.78 40.32 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 120.805 0.336 . . . . 75.4 110.19 -177.867 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -136.9 177.86 19.38 Favored Glycine 0 N--CA 1.448 -0.554 0 C-N-CA 120.881 -0.676 . . . . 71.34 111.739 -177.011 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 108' ' ' ARG . . . . . 0.538 ' HA ' ' O ' ' A' ' 90' ' ' PRO . 5.9 mmt180 -83.76 3.02 35.16 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.243 0.544 . . . . 65.14 111.062 -176.441 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 70.8 m -163.56 164.38 24.25 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 108.672 -0.862 . . . . 64.43 108.672 -178.574 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 110' ' ' LYS . . . . . 0.519 ' HE2' HD22 ' A' ' 80' ' ' LEU . 84.5 mttt -58.96 -39.93 83.19 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 121.04 0.448 . . . . 74.14 110.113 179.296 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 52.7 tttp -62.18 -50.9 69.97 Favored 'General case' 0 N--CA 1.449 -0.476 0 CA-C-N 115.37 -0.832 . . . . 74.41 110.856 179.675 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 46.7 t -61.74 -47.1 94.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 115.86 -0.609 . . . . 64.45 111.11 179.498 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -63.67 -34.87 78.81 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.908 0.385 . . . . 63.5 111.122 -178.824 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 63.5 ttt180 -61.54 -41.55 97.52 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.893 -0.594 . . . . 75.51 109.614 176.471 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 115' ' ' ILE . . . . . 0.427 HG12 ' HB2' ' A' ' 64' ' ' ASN . 74.5 mt -65.08 -49.26 80.33 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.304 0 CA-C-N 115.474 -0.784 . . . . 74.25 111.067 174.693 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 47.4 mm-40 -55.41 -43.76 75.56 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.656 0.265 . . . . 71.12 111.485 179.022 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 117' ' ' ALA . . . . . 0.537 ' HB1' HG12 ' A' ' 96' ' ' VAL . . . -63.17 -43.21 98.88 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.13 0.491 . . . . 73.13 110.991 179.33 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 118' ' ' ALA . . . . . 0.572 ' O ' ' HG ' ' A' ' 122' ' ' LEU . . . -65.4 -32.61 74.33 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.632 -0.713 . . . . 72.41 111.002 -179.404 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -59.29 -42.48 91.41 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.263 -0.426 . . . . 73.45 110.955 178.936 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 120' ' ' THR . . . . . 0.484 ' HB ' ' HB3' ' A' ' 103' ' ' TYR . 19.4 m -65.18 -40.79 94.75 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.863 -0.608 . . . . 34.21 110.735 178.037 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -60.23 -51.42 69.65 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.14 -0.482 . . . . 53.14 110.42 177.781 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 122' ' ' LEU . . . . . 0.572 ' HG ' ' O ' ' A' ' 118' ' ' ALA . 52.4 mt -50.14 -53.06 30.21 Favored 'General case' 0 CA--C 1.521 -0.146 0 CA-C-N 115.718 -0.674 . . . . 75.33 111.391 -178.677 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 13.7 ptm180 -68.13 -17.76 64.45 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.95 -0.568 . . . . 73.35 111.826 -173.733 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 24.7 t -75.24 -30.36 60.51 Favored 'General case' 0 C--N 1.325 -0.463 0 C-N-CA 120.728 -0.389 . . . . 75.32 110.168 176.462 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 70.8 m-85 -79.42 -56.71 4.12 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.071 -0.513 . . . . 73.3 111.175 -178.487 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 126' ' ' ILE . . . . . 0.57 HD13 ' H ' ' A' ' 126' ' ' ILE . 0.3 OUTLIER -111.71 131.5 62.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-O 121.301 0.572 . . . . 73.42 109.855 179.079 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 7.9 mm-40 -117.84 100.09 7.35 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 115.69 -0.687 . . . . 65.11 111.729 -176.302 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 9.8 p90 -106.12 -176.67 3.14 Favored 'General case' 0 C--N 1.314 -0.96 0 CA-C-N 115.061 -0.972 . . . . 75.34 108.584 173.492 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 81.3 tttt -91.68 82.37 5.26 Favored 'General case' 0 C--N 1.322 -0.618 0 C-N-CA 119.864 -0.734 . . . . 64.21 110.256 -179.098 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 13.3 p-10 -73.55 -36.93 65.7 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.304 -0.862 . . . . 63.11 109.72 178.693 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 62.27 27.42 69.17 Favored Glycine 0 N--CA 1.45 -0.43 0 CA-C-N 115.565 -0.743 . . . . 30.22 112.53 176.201 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -84.19 160.63 20.79 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.924 0.392 . . . . 73.34 110.695 -179.24 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 57.7 t -81.73 112.55 19.77 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.747 0 CA-C-N 115.907 -0.588 . . . . 65.34 109.781 177.23 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 1.2 tt -63.29 101.82 0.34 Allowed 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 109.033 -0.729 . . . . 73.31 109.033 176.271 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 135' ' ' SER . . . . . 0.429 ' HA ' ' HD3' ' A' ' 136' ' ' PRO . 20.0 m -56.34 138.01 75.01 Favored Pre-proline 0 C--N 1.324 -0.533 0 CA-C-N 115.803 -0.635 . . . . 71.33 111.42 -176.18 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 136' ' ' PRO . . . . . 0.429 ' HD3' ' HA ' ' A' ' 135' ' ' SER . 12.6 Cg_exo -71.7 46.14 0.78 Allowed 'Trans proline' 0 C--N 1.346 0.409 0 C-N-CA 123.738 2.959 . . . . 75.14 112.934 -177.769 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 2.8 pp -99.16 161.54 13.57 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 109.7 -0.482 . . . . 64.33 109.7 175.414 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 17.2 pttp -132.23 154.2 81.55 Favored Pre-proline 0 C--N 1.318 -0.793 0 N-CA-C 109.997 -0.371 . . . . 64.1 109.997 -178.486 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -73.71 -176.37 2.53 Favored 'Trans proline' 0 N--CA 1.459 -0.51 0 C-N-CA 122.492 2.128 . . . . 74.41 111.301 176.384 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.931 0 CA-C-O 118.219 -0.895 . . . . 38.14 110.277 179.615 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 12.1 m . . . . . 0 N--CA 1.478 0.971 0 CA-C-O 121.131 0.491 . . . . 63.33 109.711 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.453 ' HA ' ' HD3' ' A' ' 50' ' ' PRO . 4.6 p-10 -162.28 143.95 8.23 Favored Pre-proline 0 C--N 1.325 -0.496 0 CA-C-N 115.673 -0.694 . . . . 71.31 111.056 -165.623 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.453 ' HD3' ' HA ' ' A' ' 49' ' ' ASP . 16.8 Cg_exo -69.05 117.87 5.32 Favored 'Trans proline' 0 N--CA 1.462 -0.354 0 C-N-CA 122.7 2.267 . . . . 71.25 110.938 172.161 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -62.7 113.92 3.29 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.993 -0.549 . . . . 75.41 110.115 -176.039 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 32.4 tptt -77.67 160.86 28.2 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 109.131 -0.692 . . . . 72.42 109.131 -179.61 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 18.7 ptpt -57.6 140.73 50.26 Favored 'General case' 0 C--O 1.235 0.313 0 CA-C-O 121.269 0.557 . . . . 71.11 111.069 -177.442 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 43.7 ttp -63.84 -53.86 43.99 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.211 -0.904 . . . . 73.24 112.209 -174.566 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 42.2 t -88.95 122.02 31.89 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.329 0.585 . . . . 54.11 112.121 -169.874 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 66.0 mmtt -112.01 147.56 35.7 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.204 -0.907 . . . . 70.21 108.596 170.311 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -71.25 151.51 44.2 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 121.064 0.459 . . . . 62.32 111.506 -174.844 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 38.3 ttm105 -93.63 -56.14 3.01 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.713 -0.676 . . . . 74.12 109.961 177.395 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.454 HD12 ' NZ ' ' A' ' 111' ' ' LYS . 54.6 mt 64.61 101.88 0.04 OUTLIER Pre-proline 0 CA--C 1.533 0.295 0 CA-C-N 115.41 -0.814 . . . . 63.54 111.343 179.781 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 60' ' ' PRO . . . . . 0.453 ' HD3' ' HA ' ' A' ' 59' ' ' ILE . 3.0 Cg_exo -82.06 45.04 1.84 Allowed 'Trans proline' 0 N--CA 1.463 -0.319 0 C-N-CA 123.472 2.781 . . . . 75.55 112.607 -178.65 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 16.1 mm100 -96.59 145.78 30.18 Favored Pre-proline 0 C--N 1.325 -0.476 0 CA-C-N 116.449 -0.341 . . . . 73.13 110.275 178.008 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 43.2 Cg_endo -68.33 -0.16 5.41 Favored 'Trans proline' 0 C--N 1.344 0.307 0 C-N-CA 122.894 2.396 . . . . 73.14 112.736 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 40.7 ttmt -74.03 -36.59 64.44 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.291 -0.413 . . . . 71.3 110.445 177.212 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 1.1 p30 -103.27 139.26 38.94 Favored 'General case' 0 C--O 1.239 0.537 0 CA-C-O 122.379 1.085 . . . . 65.15 111.5 -177.582 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.42 HG22 HD12 ' A' ' 122' ' ' LEU . 19.6 p -62.09 -22.17 65.57 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 113.871 -1.513 . . . . 64.45 113.269 -170.372 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 1.1 m -67.28 -31.48 53.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 121.004 0.43 . . . . 74.13 110.338 -176.717 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -75.32 -40.38 58.47 Favored 'General case' 0 N--CA 1.452 -0.362 0 N-CA-C 109.061 -0.718 . . . . 73.43 109.061 175.584 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' MET . . . . . 0.4 ' HB2' HD11 ' A' ' 122' ' ' LEU . 81.3 mmm -56.65 -45.43 81.62 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 114.969 -1.014 . . . . 74.23 110.864 176.57 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.756 ' HB3' HD13 ' A' ' 76' ' ' LEU . 0.7 OUTLIER -61.4 -36.61 80.76 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.13 -0.486 . . . . 73.14 111.601 179.697 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 70' ' ' ASN . . . . . 0.451 ' ND2' HD11 ' A' ' 76' ' ' LEU . 10.7 m-80 -66.1 -25.54 67.05 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-O 120.93 0.395 . . . . 63.43 110.52 -178.392 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -81.76 -26.51 34.43 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.605 -0.725 . . . . 74.52 110.998 178.841 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 59.2 mt -89.59 -58.19 2.61 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 112.098 0.407 . . . . 71.51 112.098 -176.393 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' ARG . . . . . 0.654 ' HG3' ' CZ ' ' A' ' 125' ' ' PHE . 2.6 mmp_? -135.4 167.77 20.44 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.122 0.487 . . . . 74.42 111.686 -174.003 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 1.8 p-80 -115.75 169.52 9.15 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.537 -0.756 . . . . 75.55 110.087 177.53 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 74.58 21.81 78.18 Favored Glycine 0 N--CA 1.446 -0.685 0 C-N-CA 120.55 -0.833 . . . . 75.42 111.939 -176.844 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.877 ' H ' HD23 ' A' ' 76' ' ' LEU . 1.1 pt? -76.88 79.69 3.45 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.597 0.713 . . . . 72.41 110.081 178.697 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.428 ' O ' ' HA ' ' A' ' 96' ' ' VAL . 3.7 mt -82.46 106.52 13.43 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.7 0 CA-C-N 115.391 -0.822 . . . . 72.4 110.814 -176.269 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 93.2 m-85 -84.84 109.82 18.38 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 109.503 -0.555 . . . . 73.4 109.503 174.262 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' LYS . . . . . 0.507 ' HG2' ' O ' ' A' ' 95' ' ' SER . 17.1 ptpt -121.07 124.44 44.8 Favored 'General case' 0 C--N 1.315 -0.915 0 CA-C-N 115.743 -0.662 . . . . 74.21 109.905 -177.005 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 44.9 tp -73.78 111.68 9.16 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 108.717 -0.845 . . . . 60.3 108.717 177.768 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -93.31 -29.26 15.74 Favored 'General case' 0 C--N 1.323 -0.555 0 C-N-CA 120.154 -0.618 . . . . 62.45 111.691 -176.027 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 47.0 m -156.77 151.98 26.39 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.555 -0.293 . . . . 71.52 110.56 179.385 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 24.3 tm0? -151.6 116.96 5.32 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.261 -0.427 . . . . 74.22 109.872 177.209 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 2.3 p -152.98 164.65 37.56 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.139 -0.482 . . . . 72.31 110.258 179.577 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 137.38 -173.95 22.0 Favored Glycine 0 N--CA 1.448 -0.53 0 C-N-CA 120.813 -0.708 . . . . 61.55 112.2 177.865 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 65.5 Cg_endo -72.04 173.8 12.31 Favored 'Trans proline' 0 C--N 1.344 0.296 0 C-N-CA 123.073 2.515 . . . . 71.34 111.432 177.588 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 9.5 p -87.49 -27.25 5.72 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 C-N-CA 120.517 -0.473 . . . . 73.11 110.601 -179.794 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 34.5 p-80 -72.55 -27.33 62.16 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.893 0.378 . . . . 74.22 110.405 179.549 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -156.57 73.25 4.83 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-N 116.112 -0.495 . . . . 74.24 110.755 179.128 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 90' ' ' PRO . . . . . 0.402 ' HG2' ' HE1' ' A' ' 92' ' ' PHE . 37.4 Cg_endo -70.55 146.04 54.24 Favored 'Trans proline' 0 N--CA 1.461 -0.424 0 C-N-CA 122.277 1.984 . . . . 74.44 111.856 179.435 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 15.3 tp -98.8 133.08 43.61 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-O 121.456 0.646 . . . . 54.42 110.397 179.633 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.558 ' O ' ' HA ' ' A' ' 106' ' ' GLN . 18.4 m-85 -114.77 132.99 56.27 Favored 'General case' 0 C--N 1.312 -1.025 0 CA-C-N 115.048 -0.978 . . . . 71.21 108.781 178.066 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 93' ' ' THR . . . . . 0.548 HG23 ' HG2' ' A' ' 106' ' ' GLN . 11.8 m -113.38 98.69 7.25 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-O 121.218 0.532 . . . . 64.52 110.219 -177.965 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 0.505 HG21 ' HA ' ' A' ' 114' ' ' ARG . 4.8 mm -97.27 128.82 48.16 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.76 0 CA-C-N 115.382 -0.827 . . . . 74.42 110.037 -179.357 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 95' ' ' SER . . . . . 0.531 ' HB2' ' HD3' ' A' ' 102' ' ' LYS . 3.9 p -109.05 120.16 41.72 Favored 'General case' 0 C--N 1.308 -1.218 0 CA-C-N 115.517 -0.765 . . . . 65.52 109.642 175.668 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.571 HG12 ' HB1' ' A' ' 117' ' ' ALA . 14.4 p -103.23 126.42 57.58 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.777 0 C-N-CA 120.166 -0.613 . . . . 74.11 109.355 175.472 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 13.9 tt0 -107.05 107.68 18.79 Favored 'General case' 0 C--N 1.31 -1.145 0 N-CA-C 109.437 -0.579 . . . . 62.44 109.437 -179.1 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 98' ' ' VAL . . . . . 0.455 HG22 ' HA ' ' A' ' 76' ' ' LEU . 26.1 t -121.7 124.94 72.67 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.875 0 CA-C-N 115.846 -0.616 . . . . 55.2 110.225 -174.418 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 4.1 t70 56.77 20.98 5.55 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.756 -0.656 . . . . 71.01 110.992 -177.488 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 97.85 -9.65 63.98 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.813 -0.708 . . . . 64.43 112.416 -179.064 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 12.7 mm100 -95.0 129.83 41.91 Favored 'General case' 0 CA--C 1.511 -0.548 0 CA-C-O 121.011 0.434 . . . . 52.41 110.756 -179.874 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 102' ' ' LYS . . . . . 0.531 ' HD3' ' HB2' ' A' ' 95' ' ' SER . 2.8 tmmm? -99.92 117.19 33.7 Favored 'General case' 0 C--N 1.316 -0.857 0 CA-C-N 115.9 -0.591 . . . . 74.12 110.164 -176.922 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 103' ' ' TYR . . . . . 0.562 ' HB3' ' HB ' ' A' ' 120' ' ' THR . 32.4 m-85 -108.39 134.62 50.95 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 108.878 -0.786 . . . . 73.2 108.878 178.792 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.485 HD11 HG22 ' A' ' 93' ' ' THR . 13.1 tp -107.41 139.33 42.06 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 121.057 0.456 . . . . 62.34 111.728 -173.5 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 105' ' ' GLY . . . . . 0.417 ' HA3' ' HB2' ' A' ' 116' ' ' GLU . . . -134.93 140.61 11.87 Favored Glycine 0 N--CA 1.445 -0.744 0 N-CA-C 110.99 -0.844 . . . . 74.43 110.99 175.743 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 106' ' ' GLN . . . . . 0.558 ' HA ' ' O ' ' A' ' 92' ' ' PHE . 30.0 mt-30 -131.1 100.77 5.33 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 121.005 0.431 . . . . 74.24 110.72 -175.137 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -117.03 -178.48 17.79 Favored Glycine 0 N--CA 1.442 -0.914 0 C-N-CA 120.671 -0.776 . . . . 64.24 112.173 -170.864 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 38.2 mmt-85 -87.14 2.53 49.55 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.5 0.667 . . . . 64.43 109.682 -179.71 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 58.8 m -162.66 162.77 27.12 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.308 -0.86 . . . . 75.31 109.083 -178.678 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 99.8 mttt -56.2 -39.95 73.23 Favored 'General case' 0 C--N 1.33 -0.272 0 O-C-N 123.324 0.39 . . . . 72.23 110.728 179.236 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 111' ' ' LYS . . . . . 0.454 ' NZ ' HD12 ' A' ' 59' ' ' ILE . 79.4 tttt -64.54 -50.99 65.15 Favored 'General case' 0 N--CA 1.453 -0.32 0 CA-C-N 116.273 -0.421 . . . . 71.12 111.139 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 61.1 t -58.64 -46.29 90.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.291 -0.413 . . . . 75.32 110.873 179.872 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -61.77 -37.63 85.04 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.046 0.451 . . . . 72.31 110.691 179.061 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 114' ' ' ARG . . . . . 0.505 ' HA ' HG21 ' A' ' 94' ' ' ILE . 20.7 ttm180 -62.63 -40.2 96.25 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.441 -0.8 . . . . 70.44 110.092 176.632 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 90.6 mt -66.89 -46.19 85.73 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.215 0 CA-C-N 116.041 -0.527 . . . . 63.53 111.27 177.396 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 116' ' ' GLU . . . . . 0.417 ' HB2' ' HA3' ' A' ' 105' ' ' GLY . 27.7 mt-10 -58.6 -42.99 89.38 Favored 'General case' 0 C--O 1.236 0.351 0 CA-C-O 121.097 0.475 . . . . 71.43 110.601 179.138 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 117' ' ' ALA . . . . . 0.571 ' HB1' HG12 ' A' ' 96' ' ' VAL . . . -62.18 -47.98 82.08 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.74 -0.664 . . . . 73.42 110.648 178.941 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 118' ' ' ALA . . . . . 0.515 ' O ' ' HG ' ' A' ' 122' ' ' LEU . . . -64.7 -35.46 81.13 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.933 -0.576 . . . . 72.0 111.444 -179.072 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -60.91 -34.76 75.17 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.14 0.495 . . . . 53.22 110.724 178.658 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 120' ' ' THR . . . . . 0.634 ' O ' ' HG2' ' A' ' 123' ' ' ARG . 21.3 m -74.41 -37.01 63.48 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.732 -0.667 . . . . 62.21 110.334 178.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -62.91 -45.17 93.77 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.204 -0.453 . . . . 74.01 110.341 176.583 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 122' ' ' LEU . . . . . 0.515 ' HG ' ' O ' ' A' ' 118' ' ' ALA . 36.2 mt -57.24 -49.95 74.43 Favored 'General case' 0 C--N 1.334 -0.105 0 CA-C-N 116.172 -0.467 . . . . 54.24 111.28 -179.916 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 123' ' ' ARG . . . . . 0.634 ' HG2' ' O ' ' A' ' 120' ' ' THR . 2.8 ptm180 -66.57 -14.4 62.31 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-N 116.114 -0.494 . . . . 73.41 111.048 -176.672 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 16.4 t -81.73 -29.12 33.03 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.324 -0.398 . . . . 63.04 110.352 175.767 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 125' ' ' PHE . . . . . 0.654 ' CZ ' ' HG3' ' A' ' 73' ' ' ARG . 43.0 m-85 -86.44 -58.53 2.58 Favored 'General case' 0 CA--C 1.518 -0.278 0 CA-C-O 121.01 0.433 . . . . 75.53 110.265 -179.468 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 126' ' ' ILE . . . . . 0.513 HD13 ' H ' ' A' ' 126' ' ' ILE . 0.2 OUTLIER -113.37 130.86 66.58 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 CA-C-O 121.352 0.596 . . . . 64.32 109.584 177.722 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 2.8 pp0? -127.93 162.79 25.92 Favored 'General case' 0 C--N 1.311 -1.069 0 CA-C-N 115.646 -0.706 . . . . 71.1 110.226 -177.825 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 96.0 m-85 -133.59 130.71 38.75 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 116.179 -0.464 . . . . 73.44 110.288 179.347 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 94.8 mttt -118.59 -7.15 10.63 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.824 -0.625 . . . . 65.23 109.879 178.428 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -75.13 87.48 2.42 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.608 -0.724 . . . . 74.41 110.44 178.733 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 66.15 26.16 72.41 Favored Glycine 0 N--CA 1.45 -0.422 0 CA-C-N 115.377 -0.829 . . . . 65.34 112.076 179.262 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -124.98 145.9 49.66 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 120.774 0.321 . . . . 75.3 110.619 -176.771 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 18.8 m -114.99 151.01 16.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-N 116.159 -0.473 . . . . 61.23 110.728 179.504 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -103.76 36.79 2.21 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 115.848 -0.615 . . . . 53.03 110.127 -178.168 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 135' ' ' SER . . . . . 0.465 ' HA ' ' HD3' ' A' ' 136' ' ' PRO . 21.4 m -68.1 136.24 91.7 Favored Pre-proline 0 C--N 1.319 -0.742 0 CA-C-N 115.544 -0.753 . . . . 75.34 110.677 177.79 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 136' ' ' PRO . . . . . 0.465 ' HD3' ' HA ' ' A' ' 135' ' ' SER . 13.8 Cg_exo -69.01 79.28 0.72 Allowed 'Trans proline' 0 C--O 1.235 0.357 0 C-N-CA 122.679 2.253 . . . . 75.31 111.611 175.841 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 96.3 mt -125.12 128.14 47.96 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.872 -0.604 . . . . 74.13 109.868 179.901 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 138' ' ' LYS . . . . . 0.438 ' HA ' ' HD3' ' A' ' 139' ' ' PRO . 94.4 mttt -105.47 156.18 36.78 Favored Pre-proline 0 C--N 1.319 -0.717 0 CA-C-N 115.862 -0.608 . . . . 64.03 110.96 -173.435 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 139' ' ' PRO . . . . . 0.438 ' HD3' ' HA ' ' A' ' 138' ' ' LYS . 3.7 Cg_exo -79.65 52.16 4.18 Favored 'Trans proline' 0 C--N 1.344 0.323 0 C-N-CA 123.314 2.676 . . . . 41.05 112.038 -178.618 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.935 0 CA-C-O 118.642 -0.694 . . . . 63.53 110.741 -178.906 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 38.8 m . . . . . 0 N--CA 1.477 0.905 0 CA-C-O 121.046 0.451 . . . . 43.41 110.554 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -163.35 89.43 1.22 Allowed Pre-proline 0 C--N 1.325 -0.461 0 N-CA-C 109.056 -0.72 . . . . 52.13 109.056 -179.367 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 8.4 Cg_exo -71.71 114.22 3.88 Favored 'Trans proline' 0 C--O 1.234 0.275 0 C-N-CA 123.148 2.565 . . . . 72.33 113.298 -171.949 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -88.95 110.59 21.24 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.124 -0.489 . . . . 75.34 110.627 176.189 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.66 ' HD3' ' H ' ' A' ' 52' ' ' LYS . 0.0 OUTLIER -67.49 -26.46 66.37 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.233 0.539 . . . . 71.34 109.678 172.117 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 82.9 tttt -98.37 96.43 8.03 Favored 'General case' 0 N--CA 1.45 -0.439 0 CA-C-N 115.377 -0.829 . . . . 75.33 108.814 170.494 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 25.7 ptm -82.59 -11.86 58.11 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.364 -0.38 . . . . 75.33 111.659 -175.174 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 52.4 t 74.22 -35.98 0.32 Allowed 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 123.461 0.704 . . . . 73.32 111.631 177.786 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 91.7 mttt -78.9 1.95 21.83 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.836 0.35 . . . . 65.55 111.445 179.328 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -108.04 93.33 4.48 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 109.802 -0.444 . . . . 72.11 109.802 175.6 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 54.7 ttp180 -96.58 101.35 12.95 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 109.355 -0.609 . . . . 73.42 109.355 177.884 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.445 HD13 ' HB2' ' A' ' 111' ' ' LYS . 28.3 mt -87.57 124.35 67.87 Favored Pre-proline 0 C--N 1.322 -0.595 0 CA-C-N 115.83 -0.623 . . . . 71.03 110.614 -176.127 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 20.4 Cg_endo -60.44 137.76 76.2 Favored 'Trans proline' 0 C--O 1.236 0.401 0 C-N-CA 123.0 2.466 . . . . 62.34 112.029 178.594 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' GLN . . . . . 0.482 ' HB3' ' ND2' ' A' ' 64' ' ' ASN . 78.2 mm-40 -128.04 88.07 53.93 Favored Pre-proline 0 C--N 1.326 -0.437 0 CA-C-N 116.207 -0.451 . . . . 74.22 110.435 -177.668 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 9.9 Cg_exo -71.75 -63.35 0.04 OUTLIER 'Trans proline' 0 C--N 1.345 0.349 0 C-N-CA 122.765 2.31 . . . . 74.53 112.067 -179.536 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 61.8 tttp -131.72 107.3 8.69 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 109.187 -0.671 . . . . 73.12 109.187 178.762 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' ASN . . . . . 0.695 ' ND2' HG22 ' A' ' 66' ' ' VAL . 27.2 p-10 -149.08 150.22 32.4 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 122.064 0.935 . . . . 55.02 112.178 -173.744 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 26.4 p -70.84 -24.16 62.47 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 114.521 -1.218 . . . . 75.13 111.955 -176.565 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.695 HG22 ' ND2' ' A' ' 64' ' ' ASN . 1.0 OUTLIER -68.02 -30.54 48.49 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.164 0 CA-C-O 120.944 0.402 . . . . 75.42 110.118 -177.684 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -71.6 -42.69 67.41 Favored 'General case' 0 N--CA 1.452 -0.358 0 N-CA-C 109.09 -0.707 . . . . 60.32 109.09 175.092 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 74.3 mmm -54.62 -41.5 70.06 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.179 -0.919 . . . . 63.05 110.412 175.847 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.76 ' HB3' HD13 ' A' ' 76' ' ' LEU . 1.2 mt -64.18 -35.76 81.83 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.764 -0.653 . . . . 62.52 111.757 -178.934 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 22.1 m-80 -68.23 -24.81 64.96 Favored 'General case' 0 CA--C 1.516 -0.348 0 CA-C-O 121.451 0.643 . . . . 71.31 110.094 -177.909 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 23.9 mm-40 -79.78 -26.26 40.68 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.244 -0.889 . . . . 63.04 110.542 178.402 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 88.7 mt -88.44 -60.35 1.98 Allowed 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.838 -0.619 . . . . 74.3 111.325 -179.52 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 4.8 tpt180 -144.88 123.09 12.19 Favored 'General case' 0 N--CA 1.443 -0.776 0 CA-C-N 116.411 -0.358 . . . . 61.03 110.413 -172.27 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 7.6 p-80 -84.83 173.22 10.8 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 110.055 -0.35 . . . . 75.42 110.055 176.512 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 81.66 29.94 37.68 Favored Glycine 0 N--CA 1.444 -0.767 0 C-N-CA 120.276 -0.964 . . . . 42.13 110.812 -174.375 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.872 ' H ' HD23 ' A' ' 76' ' ' LEU . 1.6 pt? -97.71 92.04 5.68 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.454 0.645 . . . . 73.3 110.19 -178.753 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.447 ' O ' ' HA ' ' A' ' 96' ' ' VAL . 4.5 mp -89.39 114.43 27.39 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.681 0 CA-C-N 116.104 -0.498 . . . . 74.54 110.722 -177.406 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 78' ' ' TYR . . . . . 0.461 ' CD1' ' HB ' ' A' ' 96' ' ' VAL . 93.3 m-85 -91.53 123.54 35.02 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.028 -0.533 . . . . 71.22 109.936 175.54 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 13.6 ptpt -133.47 138.75 46.31 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-O 120.906 0.384 . . . . 73.11 110.449 179.382 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 41.2 tp -79.3 104.22 9.77 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 109.198 -0.667 . . . . 74.44 109.198 176.068 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -92.23 -28.35 17.07 Favored 'General case' 0 C--N 1.325 -0.467 0 C-N-CA 120.507 -0.477 . . . . 71.51 111.483 -175.952 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 50.1 m -151.95 157.93 42.44 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 120.754 0.312 . . . . 75.22 110.914 -178.815 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -150.75 112.64 4.52 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 109.064 -0.717 . . . . 74.4 109.064 179.51 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 84' ' ' THR . . . . . 0.488 ' O ' ' HB3' ' A' ' 91' ' ' LEU . 40.9 p -141.68 151.49 43.06 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.37 -0.377 . . . . 72.21 110.688 -175.132 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 138.92 -171.21 23.7 Favored Glycine 0 N--CA 1.449 -0.473 0 C-N-CA 120.085 -1.055 . . . . 75.33 112.944 173.381 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -73.77 169.23 22.86 Favored 'Trans proline' 0 N--CA 1.465 -0.187 0 C-N-CA 123.103 2.536 . . . . 71.15 112.094 179.048 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 10.0 p -81.4 -25.17 10.17 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-N 116.609 -0.269 . . . . 71.53 110.817 -179.134 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 41.1 p-80 -76.64 -35.26 58.12 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-O 120.8 0.334 . . . . 74.35 110.756 -179.425 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.416 ' HB1' ' HD2' ' A' ' 108' ' ' ARG . . . -147.45 70.85 11.75 Favored Pre-proline 0 C--N 1.325 -0.46 0 CA-C-N 116.297 -0.41 . . . . 74.14 110.673 -179.355 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 33.4 Cg_endo -67.27 146.23 74.9 Favored 'Trans proline' 0 N--CA 1.458 -0.577 0 C-N-CA 122.304 2.003 . . . . 62.24 112.021 -177.56 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.488 ' HB3' ' O ' ' A' ' 84' ' ' THR . 17.7 tp -98.19 134.07 41.75 Favored 'General case' 0 C--N 1.316 -0.864 0 CA-C-O 121.295 0.569 . . . . 41.44 110.149 -179.03 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.581 ' O ' ' HA ' ' A' ' 106' ' ' GLN . 15.0 m-85 -112.82 140.0 47.98 Favored 'General case' 0 C--N 1.312 -1.048 0 CA-C-N 115.491 -0.777 . . . . 74.23 109.05 -178.918 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 93' ' ' THR . . . . . 0.475 HG22 HD11 ' A' ' 104' ' ' LEU . 15.5 m -118.66 98.99 6.51 Favored 'General case' 0 N--CA 1.444 -0.764 0 CA-C-O 121.225 0.536 . . . . 74.22 110.372 -175.468 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 6.4 mm -97.32 126.05 50.24 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.722 0 CA-C-N 115.244 -0.889 . . . . 75.12 109.928 -179.765 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 95' ' ' SER . . . . . 0.541 ' HB2' ' HD3' ' A' ' 102' ' ' LYS . 0.3 OUTLIER -101.4 128.11 47.74 Favored 'General case' 0 C--N 1.313 -1.008 0 CA-C-N 115.951 -0.568 . . . . 33.53 109.845 174.664 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.513 HG12 ' HB1' ' A' ' 117' ' ' ALA . 7.5 p -118.97 124.68 73.59 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.869 0 CA-C-O 121.363 0.601 . . . . 72.23 109.966 177.651 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 24.2 tt0 -97.66 118.79 34.97 Favored 'General case' 0 C--N 1.311 -1.077 0 CA-C-N 115.634 -0.712 . . . . 74.42 109.346 177.909 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 15.5 t -121.63 116.02 48.23 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.671 0 CA-C-N 115.915 -0.584 . . . . 71.24 110.079 -177.288 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 21.7 t70 60.51 4.42 0.71 Allowed 'General case' 0 N--CA 1.469 0.501 0 CA-C-N 115.11 -0.95 . . . . 74.4 112.274 -176.659 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 122.35 -22.27 7.5 Favored Glycine 0 N--CA 1.447 -0.608 0 C-N-CA 120.894 -0.669 . . . . 71.34 112.044 -177.235 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 101' ' ' GLN . . . . . 0.502 ' HB3' ' CE1' ' A' ' 103' ' ' TYR . 9.7 tp60 -80.86 131.05 35.34 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 109.211 -0.662 . . . . 51.34 109.211 178.109 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 102' ' ' LYS . . . . . 0.541 ' HD3' ' HB2' ' A' ' 95' ' ' SER . 0.6 OUTLIER -100.63 112.13 24.47 Favored 'General case' 0 C--N 1.321 -0.667 0 C-N-CA 120.526 -0.47 . . . . 44.41 110.135 -178.098 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 103' ' ' TYR . . . . . 0.502 ' CE1' ' HB3' ' A' ' 101' ' ' GLN . 62.8 m-85 -101.04 158.32 16.1 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.66 -0.7 . . . . 75.25 109.695 179.688 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.475 HD11 HG22 ' A' ' 93' ' ' THR . 12.2 tp -123.21 147.61 46.7 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 120.891 0.377 . . . . 61.55 110.801 -178.111 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 105' ' ' GLY . . . . . 0.527 ' HA3' ' N ' ' A' ' 117' ' ' ALA . . . -144.48 132.93 5.0 Favored Glycine 0 N--CA 1.445 -0.702 0 C-N-CA 121.087 -0.577 . . . . 61.4 111.748 176.212 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 106' ' ' GLN . . . . . 0.581 ' HA ' ' O ' ' A' ' 92' ' ' PHE . 29.9 mt-30 -123.01 118.05 26.88 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.004 0.43 . . . . 73.23 110.955 -176.408 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -132.81 -174.99 13.78 Favored Glycine 0 C--O 1.223 -0.57 0 N-CA-C 111.674 -0.57 . . . . 63.15 111.674 -178.934 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 108' ' ' ARG . . . . . 0.416 ' HD2' ' HB1' ' A' ' 89' ' ' ALA . 23.9 mmt180 -89.33 6.07 42.17 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 117.206 0.503 . . . . 75.44 111.333 -176.947 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 74.0 m -164.76 169.3 16.93 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 108.762 -0.829 . . . . 73.3 108.762 179.482 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 93.8 mttt -60.08 -38.54 83.19 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 121.38 0.61 . . . . 73.53 109.804 178.899 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 111' ' ' LYS . . . . . 0.445 ' HB2' HD13 ' A' ' 59' ' ' ILE . 33.7 tttp -59.63 -54.44 46.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.024 -0.989 . . . . 72.34 111.17 177.688 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 39.5 t -65.69 -42.92 93.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 115.809 -0.632 . . . . 75.34 110.875 -176.225 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -62.31 -39.38 92.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.243 -0.435 . . . . 44.45 111.065 -179.008 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 44.2 ttt180 -61.49 -41.34 97.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.772 -0.649 . . . . 62.42 110.063 178.202 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 115' ' ' ILE . . . . . 0.447 HG12 ' HB2' ' A' ' 64' ' ' ASN . 87.1 mt -67.02 -49.41 73.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 115.694 -0.684 . . . . 70.43 111.133 177.215 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -57.36 -35.12 69.54 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.767 0.318 . . . . 72.13 111.207 178.575 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 117' ' ' ALA . . . . . 0.527 ' N ' ' HA3' ' A' ' 105' ' ' GLY . . . -65.17 -46.37 81.1 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.126 0.489 . . . . 51.21 110.775 177.788 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 118' ' ' ALA . . . . . 0.536 ' O ' ' HG ' ' A' ' 122' ' ' LEU . . . -67.98 -29.79 68.9 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.783 -0.644 . . . . 42.31 111.287 -179.604 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -60.82 -42.19 97.2 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.111 0.481 . . . . 73.42 110.38 178.124 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 120' ' ' THR . . . . . 0.437 ' O ' ' HG2' ' A' ' 123' ' ' ARG . 18.7 m -63.63 -42.52 98.16 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.585 -0.734 . . . . 74.54 110.248 177.479 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -61.72 -48.92 78.58 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.731 -0.668 . . . . 54.52 111.058 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 122' ' ' LEU . . . . . 0.536 ' HG ' ' O ' ' A' ' 118' ' ' ALA . 55.9 mt -54.58 -48.81 71.65 Favored 'General case' 0 N--CA 1.462 0.142 0 CA-C-N 116.42 -0.355 . . . . 71.0 111.35 -177.829 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 123' ' ' ARG . . . . . 0.437 ' HG2' ' O ' ' A' ' 120' ' ' THR . 37.0 ptt180 -70.66 -14.48 62.48 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.241 -0.436 . . . . 64.31 111.118 -175.746 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 29.9 t -81.31 -26.41 35.69 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.282 -0.417 . . . . 62.23 110.299 175.868 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 78.6 m-85 -87.38 -55.41 3.81 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.742 0.305 . . . . 71.32 110.342 177.836 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 126' ' ' ILE . . . . . 0.617 HG13 ' HE1' ' A' ' 128' ' ' PHE . 0.2 OUTLIER -128.02 171.98 15.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.16 -0.473 . . . . 74.32 110.148 -179.518 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 127' ' ' GLN . . . . . 0.572 ' OE1' ' HG3' ' A' ' 129' ' ' LYS . 0.0 OUTLIER -133.02 122.11 23.72 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.964 0.411 . . . . 72.23 110.705 -175.463 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 128' ' ' PHE . . . . . 0.617 ' HE1' HG13 ' A' ' 126' ' ' ILE . 49.5 m-85 -122.03 108.54 13.5 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.294 -0.412 . . . . 55.51 111.039 177.94 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 129' ' ' LYS . . . . . 0.572 ' HG3' ' OE1' ' A' ' 127' ' ' GLN . 29.3 mtmm -98.21 93.06 6.03 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.981 0.42 . . . . 74.32 110.512 174.924 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 7.9 p-10 -90.01 -45.69 9.01 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.738 -0.664 . . . . 75.25 109.881 175.557 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 68.1 22.83 74.49 Favored Glycine 0 C--N 1.332 0.329 0 CA-C-N 115.973 -0.558 . . . . 71.22 112.69 179.039 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -96.88 130.0 44.24 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.628 0.251 . . . . 65.33 110.916 -177.832 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 133' ' ' VAL . . . . . 0.404 ' O ' HG12 ' A' ' 133' ' ' VAL . 7.2 t 60.47 29.61 0.12 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.352 0 CA-C-O 121.934 0.874 . . . . 73.51 109.965 179.527 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 27.8 tp -93.08 5.18 52.41 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 122.091 0.948 . . . . 64.03 109.784 179.725 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 135' ' ' SER . . . . . 0.499 ' HA ' ' HD3' ' A' ' 136' ' ' PRO . 40.5 p -126.22 135.78 27.63 Favored Pre-proline 0 C--N 1.315 -0.932 0 CA-C-N 114.435 -1.257 . . . . 52.31 109.418 178.172 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 136' ' ' PRO . . . . . 0.499 ' HD3' ' HA ' ' A' ' 135' ' ' SER . 7.9 Cg_exo -71.73 77.68 1.8 Allowed 'Trans proline' 0 N--CA 1.463 -0.318 0 C-N-CA 122.678 2.252 . . . . 73.32 112.552 -178.361 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 61.6 mt -88.27 -57.42 2.93 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 108.407 -0.96 . . . . 73.54 108.407 172.84 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 138' ' ' LYS . . . . . 0.453 ' HE3' ' HB3' ' A' ' 138' ' ' LYS . 1.4 tmmt? -137.45 93.6 12.61 Favored Pre-proline 0 C--N 1.322 -0.615 0 CA-C-N 114.812 -1.085 . . . . 75.53 108.146 171.025 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 1.0 OUTLIER -83.7 178.38 5.57 Favored 'Trans proline' 0 N--CA 1.458 -0.604 0 C-N-CA 123.196 2.597 . . . . 43.52 112.372 -176.4 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.081 0 CA-C-O 118.423 -0.799 . . . . 51.21 109.921 177.803 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 41.0 m . . . . . 0 N--CA 1.478 0.952 0 CA-C-O 120.857 0.361 . . . . 54.41 110.13 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.435 ' HA ' ' HD3' ' A' ' 50' ' ' PRO . 15.6 t70 -126.72 110.17 22.61 Favored Pre-proline 0 C--N 1.324 -0.504 0 CA-C-N 116.388 -0.369 . . . . 60.13 110.748 -176.88 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.435 ' HD3' ' HA ' ' A' ' 49' ' ' ASP . 4.8 Cg_exo -77.37 107.48 2.41 Favored 'Trans proline' 0 N--CA 1.46 -0.462 0 C-N-CA 123.223 2.615 . . . . 73.42 111.623 177.642 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 5.9 ptpp? -126.73 163.89 22.52 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.303 -0.408 . . . . 73.33 110.926 -178.104 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 70.8 mmtt -82.01 145.7 30.1 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.729 -0.669 . . . . 72.44 109.247 177.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 37.0 mtmm -83.06 121.86 27.58 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 109.909 -0.404 . . . . 74.3 109.909 177.325 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 51.6 ttm -70.31 111.7 6.09 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.112 -0.495 . . . . 71.14 110.651 -177.769 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 37.8 m -88.74 118.31 28.34 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.847 -0.615 . . . . 72.14 109.542 176.955 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 26.2 tptp -79.52 97.67 6.53 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.164 0.506 . . . . 73.52 110.281 -178.882 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 12.1 tp10 -80.28 150.8 29.87 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.832 -0.622 . . . . 72.04 109.71 179.586 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 15.2 ptt180 -68.89 131.17 44.68 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 109.971 -0.381 . . . . 74.52 109.971 178.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 56.3 mt -120.4 86.46 38.97 Favored Pre-proline 0 C--N 1.323 -0.56 0 CA-C-O 120.757 0.313 . . . . 64.34 111.137 -179.15 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' PRO . . . . . 0.442 ' O ' ' HD3' ' A' ' 62' ' ' PRO . 5.3 Cg_exo -81.53 -23.48 4.92 Favored 'Trans proline' 0 N--CA 1.461 -0.413 0 C-N-CA 123.112 2.541 . . . . 71.12 110.473 171.191 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 34.9 tt0 -110.8 91.91 13.52 Favored Pre-proline 0 C--N 1.325 -0.478 0 CA-C-N 114.718 -1.128 . . . . 74.24 109.267 178.442 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' PRO . . . . . 0.442 ' HD3' ' O ' ' A' ' 60' ' ' PRO . 83.8 Cg_endo -95.41 -159.81 0.06 OUTLIER 'Trans proline' 0 N--CA 1.45 -1.034 0 C-N-CA 123.308 2.672 . . . . 72.44 112.56 -176.457 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 23.7 tptp 58.58 62.8 1.85 Allowed 'General case' 0 C--O 1.234 0.251 0 CA-C-N 115.58 -0.737 . . . . 75.22 110.001 -179.545 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' ASN . . . . . 0.538 ' ND2' ' HB ' ' A' ' 66' ' ' VAL . 27.2 p-10 -102.13 146.29 28.16 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 121.825 0.821 . . . . 62.13 111.307 -178.44 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 39.2 p -69.23 -21.15 63.95 Favored 'General case' 0 C--N 1.315 -0.929 0 CA-C-N 114.527 -1.215 . . . . 64.42 110.811 -178.861 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.538 ' HB ' ' ND2' ' A' ' 64' ' ' ASN . 50.0 t -59.85 -44.05 93.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 115.296 -0.865 . . . . 73.03 110.283 177.305 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.575 ' O ' ' HG2' ' A' ' 71' ' ' GLU . . . -65.99 -40.47 91.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.044 -0.525 . . . . 63.1 110.149 176.174 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 68' ' ' MET . . . . . 0.404 ' HB2' HD11 ' A' ' 122' ' ' LEU . 80.0 mmm -57.9 -42.17 84.14 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.666 -0.697 . . . . 71.11 111.382 178.622 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.853 ' HB3' HD13 ' A' ' 76' ' ' LEU . 1.2 mt -62.17 -35.92 80.29 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.279 -0.419 . . . . 71.23 110.993 -179.78 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 70' ' ' ASN . . . . . 0.404 ' ND2' HD11 ' A' ' 76' ' ' LEU . 25.3 m-80 -67.39 -24.27 65.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.127 0.489 . . . . 72.43 110.466 178.838 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.575 ' HG2' ' O ' ' A' ' 67' ' ' ALA . 4.2 mm-40 -80.18 -22.71 41.63 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.686 -0.688 . . . . 44.31 110.504 178.806 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 72.6 mt -99.38 -67.14 0.86 Allowed 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.939 -0.573 . . . . 70.03 112.075 -176.294 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 1.1 tpp180 -132.46 125.44 30.71 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.583 -0.281 . . . . 75.23 110.994 -170.172 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 20.0 p-80 -77.99 167.36 21.6 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.309 -0.405 . . . . 71.54 110.16 174.817 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 82.88 36.03 16.95 Favored Glycine 0 N--CA 1.445 -0.739 0 C-N-CA 120.238 -0.982 . . . . 70.43 110.99 -178.08 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.853 HD13 ' HB3' ' A' ' 69' ' ' LEU . 1.2 pt? -100.76 100.82 11.55 Favored 'General case' 0 N--CA 1.45 -0.432 0 CA-C-O 121.323 0.582 . . . . 74.1 110.072 179.023 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.518 ' O ' ' HA ' ' A' ' 96' ' ' VAL . 4.8 mp -102.96 115.35 44.77 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 CA-C-N 115.879 -0.601 . . . . 73.32 110.552 -178.797 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 78' ' ' TYR . . . . . 0.417 ' CE2' HD12 ' A' ' 76' ' ' LEU . 86.9 m-85 -94.65 124.43 38.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.283 -0.417 . . . . 75.41 110.101 177.421 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 17.7 ptpt -135.72 143.29 45.28 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 116.293 -0.412 . . . . 75.2 110.611 179.015 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 49.3 tp -84.26 106.0 15.54 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 109.229 -0.656 . . . . 65.52 109.229 177.673 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -89.14 -29.7 19.15 Favored 'General case' 0 C--N 1.325 -0.494 0 C-N-CA 120.294 -0.562 . . . . 75.31 111.666 -175.865 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 57.7 m -153.5 146.66 24.66 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.89 0.376 . . . . 54.51 110.981 178.739 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 22.1 tm0? -143.57 116.62 8.89 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 109.279 -0.637 . . . . 71.34 109.279 176.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 23.3 p -142.37 144.7 33.27 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.4 -0.364 . . . . 61.21 110.852 -177.301 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 135.58 179.96 17.13 Favored Glycine 0 N--CA 1.448 -0.51 0 C-N-CA 120.043 -1.075 . . . . 61.54 113.389 173.361 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 58.7 Cg_endo -71.58 -176.95 2.2 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 123.565 2.843 . . . . 65.51 112.466 -179.455 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 33.8 m -93.66 -20.81 6.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-O 120.76 0.314 . . . . 73.34 111.005 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 35.2 p-80 -81.74 -23.01 36.95 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.354 -0.384 . . . . 55.44 110.25 178.812 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -158.89 76.35 3.29 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-N 116.156 -0.475 . . . . 74.44 110.769 178.767 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 90' ' ' PRO . . . . . 0.634 ' O ' ' HA ' ' A' ' 108' ' ' ARG . 5.8 Cg_exo -75.67 155.03 39.8 Favored 'Trans proline' 0 N--CA 1.458 -0.587 0 C-N-CA 122.482 2.121 . . . . 61.42 111.595 179.884 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.489 HD21 ' HB3' ' A' ' 106' ' ' GLN . 3.2 tm? -109.63 116.43 31.72 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-O 121.456 0.646 . . . . 72.02 109.723 176.226 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.428 ' O ' ' HA ' ' A' ' 106' ' ' GLN . 48.2 m-85 -103.04 134.5 46.38 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 115.065 -0.97 . . . . 74.5 109.317 177.631 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 18.6 m -118.19 101.63 8.37 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-O 121.023 0.439 . . . . 74.23 110.032 -179.263 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 0.472 HG21 ' HA ' ' A' ' 114' ' ' ARG . 7.4 mm -99.29 129.2 50.12 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.755 0 CA-C-N 115.685 -0.689 . . . . 74.04 109.788 -179.52 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 95' ' ' SER . . . . . 0.556 ' HB2' ' HD3' ' A' ' 102' ' ' LYS . 1.7 p -108.07 131.55 54.48 Favored 'General case' 0 C--N 1.312 -1.046 0 CA-C-N 116.126 -0.488 . . . . 74.44 110.143 175.959 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.612 HG12 ' HB1' ' A' ' 117' ' ' ALA . 7.9 p -123.68 124.12 68.68 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.897 0 CA-C-O 121.273 0.559 . . . . 62.42 109.73 176.202 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 14.0 tt0 -97.98 108.22 20.87 Favored 'General case' 0 N--CA 1.437 -1.088 0 N-CA-C 109.311 -0.625 . . . . 72.1 109.311 179.228 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 98' ' ' VAL . . . . . 0.55 ' C ' ' H ' ' A' ' 100' ' ' GLY . 21.3 t -112.42 125.01 69.65 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.001 0 CA-C-N 115.538 -0.755 . . . . 61.34 109.78 -175.596 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 14.0 t70 69.49 -31.19 0.2 Allowed 'General case' 0 N--CA 1.472 0.657 0 O-C-N 123.992 0.807 . . . . 63.44 111.567 -174.805 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 100' ' ' GLY . . . . . 0.55 ' H ' ' C ' ' A' ' 98' ' ' VAL . . . 146.68 -12.13 1.51 Allowed Glycine 0 C--N 1.304 -1.201 0 N-CA-C 110.871 -0.892 . . . . 73.42 110.871 -175.275 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 101' ' ' GLN . . . . . 0.508 ' HB3' ' CE1' ' A' ' 103' ' ' TYR . 13.5 tp60 -87.89 133.45 33.91 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 109.005 -0.739 . . . . 73.04 109.005 176.566 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 102' ' ' LYS . . . . . 0.556 ' HD3' ' HB2' ' A' ' 95' ' ' SER . 0.5 OUTLIER -96.5 109.65 22.18 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 121.101 0.477 . . . . 61.04 110.241 -178.179 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 103' ' ' TYR . . . . . 0.508 ' CE1' ' HB3' ' A' ' 101' ' ' GLN . 76.2 m-85 -97.11 156.65 16.29 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.647 -0.706 . . . . 74.01 109.564 -179.629 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 12.0 tp -124.81 141.93 51.78 Favored 'General case' 0 C--N 1.321 -0.632 0 C-N-CA 120.847 -0.341 . . . . 74.22 111.003 -176.294 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 105' ' ' GLY . . . . . 0.445 ' HA3' ' N ' ' A' ' 117' ' ' ALA . . . -135.43 130.49 5.42 Favored Glycine 0 N--CA 1.444 -0.803 0 N-CA-C 111.279 -0.729 . . . . 54.33 111.279 175.881 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 106' ' ' GLN . . . . . 0.489 ' HB3' HD21 ' A' ' 91' ' ' LEU . 30.5 mt-30 -121.77 123.85 42.8 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-O 120.811 0.339 . . . . 71.45 110.423 -176.858 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -145.86 -179.5 22.13 Favored Glycine 0 N--CA 1.448 -0.564 0 C-N-CA 120.956 -0.64 . . . . 65.22 112.062 -177.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 108' ' ' ARG . . . . . 0.634 ' HA ' ' O ' ' A' ' 90' ' ' PRO . 25.2 mmt180 -83.91 -3.38 57.89 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.748 0.309 . . . . 71.25 111.709 -177.848 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 109' ' ' SER . . . . . 0.472 ' HB2' HG23 ' A' ' 112' ' ' VAL . 16.0 m -151.32 164.21 37.17 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 109.029 -0.73 . . . . 61.13 109.029 -178.244 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -59.66 -37.34 78.45 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.845 0.355 . . . . 74.23 110.334 179.203 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 79.7 tttt -66.75 -51.47 55.52 Favored 'General case' 0 N--CA 1.452 -0.335 0 CA-C-N 115.935 -0.575 . . . . 63.52 110.684 179.872 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 112' ' ' VAL . . . . . 0.472 HG23 ' HB2' ' A' ' 109' ' ' SER . 21.8 t -55.64 -51.26 60.5 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 CA-C-N 116.131 -0.486 . . . . 73.12 110.321 179.599 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -60.35 -38.73 84.75 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.779 -0.646 . . . . 51.01 111.235 -178.718 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 114' ' ' ARG . . . . . 0.472 ' HA ' HG21 ' A' ' 94' ' ' ILE . 17.7 ttm180 -63.43 -45.81 89.21 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.014 -0.539 . . . . 71.2 110.443 178.845 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 71.7 mt -62.76 -46.54 96.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-N 115.742 -0.663 . . . . 75.32 111.402 176.94 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -59.58 -37.93 79.82 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.824 0.345 . . . . 54.42 111.429 178.684 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 117' ' ' ALA . . . . . 0.612 ' HB1' HG12 ' A' ' 96' ' ' VAL . . . -62.62 -47.16 84.97 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.044 0.449 . . . . 41.44 110.733 176.858 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 118' ' ' ALA . . . . . 0.499 ' O ' ' HG ' ' A' ' 122' ' ' LEU . . . -66.45 -33.52 75.88 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.587 -0.733 . . . . 51.25 111.098 179.65 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -61.68 -42.11 98.48 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.296 -0.411 . . . . 53.33 110.882 179.386 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 120' ' ' THR . . . . . 0.936 ' HA ' ' HE ' ' A' ' 123' ' ' ARG . 62.7 m -66.94 -35.3 79.67 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.106 -0.497 . . . . 64.15 110.6 178.111 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -63.9 -45.83 87.55 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.149 -0.478 . . . . 74.34 110.467 176.48 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 122' ' ' LEU . . . . . 0.499 ' HG ' ' O ' ' A' ' 118' ' ' ALA . 62.4 mt -58.23 -51.72 68.56 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-N 116.33 -0.395 . . . . 51.5 111.253 -179.902 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 123' ' ' ARG . . . . . 0.936 ' HE ' ' HA ' ' A' ' 120' ' ' THR . 20.0 ptt180 -70.26 -9.43 55.9 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.207 -0.451 . . . . 71.12 111.595 -176.568 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 13.2 t -82.15 -28.82 31.94 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 109.252 -0.648 . . . . 74.43 109.252 174.255 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 29.6 m-85 -84.44 -55.17 4.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.722 -0.672 . . . . 73.43 110.073 179.731 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 126' ' ' ILE . . . . . 0.502 HD13 ' H ' ' A' ' 126' ' ' ILE . 0.2 OUTLIER -126.14 135.75 62.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-O 121.258 0.551 . . . . 74.21 110.653 -179.862 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 127' ' ' GLN . . . . . 0.468 ' H ' ' NE2' ' A' ' 127' ' ' GLN . 0.3 OUTLIER -94.27 164.24 13.11 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.572 -0.74 . . . . 75.33 109.555 177.152 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 62.5 m-85 -123.9 -28.82 3.74 Favored 'General case' 0 C--N 1.316 -0.862 0 C-N-CA 120.812 -0.355 . . . . 73.4 110.834 -177.52 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 34.7 mmtp -103.31 -179.12 3.86 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.252 -0.431 . . . . 62.24 110.651 179.167 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -90.87 26.38 2.1 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.258 0.551 . . . . 62.52 111.093 -178.795 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . -80.17 56.74 4.63 Favored Glycine 0 N--CA 1.45 -0.426 0 CA-C-N 115.937 -0.574 . . . . 63.4 111.817 177.531 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -72.3 -177.79 2.27 Favored 'General case' 0 C--N 1.326 -0.441 0 C-N-CA 122.499 0.32 . . . . 74.31 111.137 -178.899 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 92.4 t -54.51 121.09 2.64 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 116.39 -0.368 . . . . 54.41 111.205 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 56.0 tp -63.52 101.67 0.36 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.743 -0.662 . . . . 71.31 110.018 176.12 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 135' ' ' SER . . . . . 0.419 ' OG ' ' HD2' ' A' ' 136' ' ' PRO . 10.4 t -143.9 151.16 52.1 Favored Pre-proline 0 C--N 1.318 -0.773 0 N-CA-C 108.97 -0.752 . . . . 75.22 108.97 -176.406 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 136' ' ' PRO . . . . . 0.419 ' HD2' ' OG ' ' A' ' 135' ' ' SER . 77.5 Cg_endo -77.41 24.73 0.49 Allowed 'Trans proline' 0 C--O 1.234 0.289 0 C-N-CA 122.389 2.059 . . . . 74.22 113.454 -177.554 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 15.7 mt -77.59 99.97 5.95 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 115.701 -0.681 . . . . 74.52 109.379 179.269 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 138' ' ' LYS . . . . . 0.409 ' HA ' ' HD3' ' A' ' 139' ' ' PRO . 23.6 pttm -132.58 119.79 16.39 Favored Pre-proline 0 C--N 1.321 -0.641 0 CA-C-N 115.861 -0.609 . . . . 74.01 111.009 -173.089 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 139' ' ' PRO . . . . . 0.409 ' HD3' ' HA ' ' A' ' 138' ' ' LYS . 5.5 Cg_endo -86.94 136.3 4.2 Favored 'Trans proline' 0 N--CA 1.455 -0.754 0 C-N-CA 123.143 2.562 . . . . 74.15 111.709 175.216 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.081 0 CA-C-O 118.313 -0.851 . . . . 73.12 110.233 179.913 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 49.8 m . . . . . 0 N--CA 1.472 0.669 0 CA-C-O 120.942 0.401 . . . . 64.53 110.187 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 12.4 p-10 -140.25 80.48 19.66 Favored Pre-proline 0 C--N 1.324 -0.522 0 CA-C-O 121.523 0.678 . . . . 75.12 111.004 -179.621 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 88.1 Cg_endo -81.86 -8.11 12.25 Favored 'Trans proline' 0 N--CA 1.462 -0.346 0 C-N-CA 122.611 2.207 . . . . 65.34 112.166 178.887 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 10.1 ptpp? -86.43 138.6 31.64 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.104 -0.498 . . . . 45.32 110.837 -177.707 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 66.6 mttm -97.57 89.04 4.53 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 109.506 -0.553 . . . . 72.34 109.506 175.789 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 22.0 pttp -60.05 148.01 37.21 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.574 -0.739 . . . . 65.21 111.463 -175.391 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 9.4 tpt -65.03 118.28 8.9 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.435 -0.802 . . . . 75.12 111.376 -175.454 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 45.4 t -93.8 -53.91 3.83 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 109.244 -0.65 . . . . 72.52 109.244 176.512 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 16.6 ptpt -155.6 156.89 35.87 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.763 -0.653 . . . . 73.22 110.236 174.803 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -87.96 159.81 18.17 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 116.114 -0.494 . . . . 74.03 111.718 -175.69 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.407 HH11 ' HD2' ' A' ' 58' ' ' ARG . 22.0 mtp180 -113.83 135.12 54.31 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.663 -0.699 . . . . 74.43 109.138 173.694 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.425 ' HA ' ' HD3' ' A' ' 60' ' ' PRO . 72.5 mt -56.96 118.02 21.23 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 123.461 0.475 . . . . 73.54 112.083 -173.795 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 60' ' ' PRO . . . . . 0.425 ' HD3' ' HA ' ' A' ' 59' ' ' ILE . 10.4 Cg_exo -71.24 164.53 35.41 Favored 'Trans proline' 0 C--N 1.345 0.39 0 C-N-CA 123.222 2.614 . . . . 72.02 111.58 178.161 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 27.4 mm-40 -107.01 152.91 41.16 Favored Pre-proline 0 C--N 1.321 -0.66 0 CA-C-N 116.204 -0.453 . . . . 72.23 110.359 -177.82 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 28.5 Cg_exo -62.86 167.33 12.21 Favored 'Trans proline' 0 C--N 1.344 0.333 0 C-N-CA 123.136 2.557 . . . . 64.43 112.755 -179.081 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 78.4 tttt 65.07 21.83 12.28 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-N 115.423 -0.808 . . . . 73.04 110.435 -177.582 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' ASN . . . . . 0.514 ' ND2' ' HB ' ' A' ' 66' ' ' VAL . 21.0 p-10 -81.56 143.9 31.67 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.793 0.806 . . . . 72.12 110.672 178.624 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.415 ' OG1' ' HB3' ' A' ' 118' ' ' ALA . 36.0 p -63.07 -21.81 66.42 Favored 'General case' 0 C--N 1.316 -0.855 0 CA-C-N 114.522 -1.217 . . . . 61.32 111.1 -179.125 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.514 ' HB ' ' ND2' ' A' ' 64' ' ' ASN . 48.3 t -61.86 -44.03 98.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 115.33 -0.85 . . . . 63.11 110.888 178.644 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -66.55 -38.99 88.32 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.203 0.525 . . . . 53.13 109.961 177.582 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 78.4 mmm -59.19 -42.46 90.92 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.336 -0.847 . . . . 72.41 110.662 178.35 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.733 ' HB3' HD13 ' A' ' 76' ' ' LEU . 3.2 mt -62.39 -36.95 83.91 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.768 -0.651 . . . . 71.31 111.384 179.179 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 25.5 m-80 -67.31 -21.63 65.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.33 -0.395 . . . . 62.42 110.999 -179.619 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 27.4 mt-10 -81.93 -27.09 33.52 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.867 0.365 . . . . 62.33 110.607 176.835 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 98.3 mt -87.01 -55.89 3.62 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.195 -0.457 . . . . 71.24 111.433 -176.734 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 30.7 mmt180 -137.39 177.38 7.91 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.96 0.41 . . . . 74.4 111.032 -175.579 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 29.0 p-80 -126.8 169.95 12.69 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.78 -0.645 . . . . 73.1 109.492 175.713 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 79.9 20.43 68.0 Favored Glycine 0 N--CA 1.449 -0.483 0 C-N-CA 120.791 -0.719 . . . . 75.23 111.902 -179.855 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.909 ' H ' HD23 ' A' ' 76' ' ' LEU . 0.9 OUTLIER -78.92 95.42 5.44 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.353 0.597 . . . . 71.3 110.596 -179.216 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.58 ' O ' ' HA ' ' A' ' 96' ' ' VAL . 4.7 mt -88.14 111.83 22.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 115.702 -0.681 . . . . 75.35 111.138 -178.261 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 78' ' ' TYR . . . . . 0.464 ' CE2' HD12 ' A' ' 76' ' ' LEU . 97.1 m-85 -91.96 116.0 28.55 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 109.842 -0.429 . . . . 71.34 109.842 173.527 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 27.2 pttt -132.79 142.49 49.02 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 115.974 -0.557 . . . . 70.31 110.291 -179.066 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.525 HD22 ' HE2' ' A' ' 110' ' ' LYS . 36.9 tp -83.52 104.63 13.81 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 109.419 -0.586 . . . . 61.44 109.419 177.787 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -88.21 -36.78 16.59 Favored 'General case' 0 C--N 1.321 -0.643 0 C-N-CA 120.414 -0.514 . . . . 53.14 111.163 -176.762 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 82' ' ' SER . . . . . 0.514 ' HB2' ' HB ' ' A' ' 93' ' ' THR . 19.4 m -139.26 152.09 47.01 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.394 -0.366 . . . . 71.32 110.865 -175.568 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 19.1 tm0? -157.06 125.75 5.77 Favored 'General case' 0 C--O 1.235 0.295 0 N-CA-C 110.072 -0.344 . . . . 71.33 110.072 179.162 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 3.3 p -150.03 -163.93 1.9 Allowed 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.905 -0.589 . . . . 62.14 109.903 178.896 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 105.45 174.67 24.11 Favored Glycine 0 N--CA 1.453 -0.197 0 C-N-CA 120.653 -0.784 . . . . 60.25 113.385 170.422 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo -70.98 173.64 11.76 Favored 'Trans proline' 0 C--N 1.345 0.358 0 C-N-CA 123.318 2.679 . . . . 74.54 112.024 178.182 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 33.8 m -85.48 -19.78 8.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 C-N-CA 120.878 -0.329 . . . . 63.44 111.558 -178.824 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 39.5 p-80 -80.88 -29.26 35.72 Favored 'General case' 0 C--N 1.331 -0.234 0 C-N-CA 120.884 -0.327 . . . . 62.32 110.257 178.014 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.5 ' HB1' ' HD2' ' A' ' 108' ' ' ARG . . . -156.61 77.82 4.13 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 116.441 -0.345 . . . . 72.52 110.634 -179.151 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 90' ' ' PRO . . . . . 0.607 ' O ' ' HA ' ' A' ' 108' ' ' ARG . 3.3 Cg_exo -70.49 160.28 50.04 Favored 'Trans proline' 0 N--CA 1.455 -0.778 0 C-N-CA 121.866 1.71 . . . . 71.31 111.938 -178.271 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.482 HD21 ' HB3' ' A' ' 106' ' ' GLN . 3.2 tm? -106.01 118.28 36.2 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-N 115.891 -0.595 . . . . 50.33 109.628 -179.631 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 52.7 m-85 -105.67 137.11 44.07 Favored 'General case' 0 C--N 1.315 -0.893 0 CA-C-N 115.417 -0.81 . . . . 72.33 109.454 179.0 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 93' ' ' THR . . . . . 0.514 ' HB ' ' HB2' ' A' ' 82' ' ' SER . 18.5 m -119.81 99.89 6.91 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 121.189 0.518 . . . . 73.41 110.164 -177.653 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 0.559 HG21 ' HA ' ' A' ' 114' ' ' ARG . 5.3 mm -96.23 130.42 44.93 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.739 0 CA-C-N 115.413 -0.812 . . . . 72.23 109.816 179.609 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 95' ' ' SER . . . . . 0.629 ' HB2' ' HD3' ' A' ' 102' ' ' LYS . 2.6 p -107.28 133.69 51.46 Favored 'General case' 0 C--N 1.312 -1.044 0 CA-C-N 115.908 -0.587 . . . . 41.52 109.531 175.646 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.58 ' HA ' ' O ' ' A' ' 77' ' ' ILE . 7.2 p -120.48 125.16 73.83 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.816 0 CA-C-O 121.368 0.604 . . . . 72.35 109.794 178.217 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 21.4 tt0 -99.8 115.57 29.86 Favored 'General case' 0 C--N 1.311 -1.077 0 CA-C-N 115.541 -0.754 . . . . 70.32 109.585 -178.84 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 21.9 t -132.59 121.48 45.22 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.841 0 CA-C-N 116.039 -0.528 . . . . 72.21 110.342 -175.854 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 34.1 t70 61.69 14.44 6.1 Favored 'General case' 0 N--CA 1.469 0.514 0 CA-C-O 121.524 0.678 . . . . 72.11 111.031 179.311 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 103.7 -12.65 53.7 Favored Glycine 0 N--CA 1.449 -0.496 0 C-N-CA 120.735 -0.745 . . . . 62.32 112.144 -178.545 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 13.0 mm100 -90.79 131.23 36.57 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.914 0.387 . . . . 74.21 110.554 178.838 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 102' ' ' LYS . . . . . 0.629 ' HD3' ' HB2' ' A' ' 95' ' ' SER . 0.7 OUTLIER -101.41 105.04 16.02 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-N 115.868 -0.606 . . . . 72.02 110.135 -178.108 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 72.3 m-85 -95.42 156.89 16.13 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.559 -0.746 . . . . 74.13 110.006 -178.544 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.404 HD11 HG22 ' A' ' 93' ' ' THR . 11.4 tp -124.51 142.67 51.16 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.039 0.447 . . . . 73.44 111.44 -175.921 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 105' ' ' GLY . . . . . 0.501 ' HA3' ' N ' ' A' ' 117' ' ' ALA . . . -138.21 130.88 5.17 Favored Glycine 0 N--CA 1.447 -0.615 0 CA-C-N 115.835 -0.62 . . . . 44.05 111.648 175.825 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 106' ' ' GLN . . . . . 0.482 ' HB3' HD21 ' A' ' 91' ' ' LEU . 30.3 mt-30 -115.64 130.78 56.99 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 120.812 0.339 . . . . 74.22 110.927 -178.374 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -150.63 177.03 28.94 Favored Glycine 0 N--CA 1.449 -0.469 0 C-N-CA 121.02 -0.61 . . . . 72.41 111.985 -178.199 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 108' ' ' ARG . . . . . 0.607 ' HA ' ' O ' ' A' ' 90' ' ' PRO . 31.6 mmt180 -88.48 6.44 37.71 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.954 0.407 . . . . 53.33 111.494 -177.492 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 50.9 m -160.21 164.56 32.7 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 108.707 -0.849 . . . . 71.53 108.707 177.821 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 110' ' ' LYS . . . . . 0.525 ' HE2' HD22 ' A' ' 80' ' ' LEU . 94.8 mttt -62.08 -30.97 71.37 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 121.284 0.564 . . . . 64.42 109.826 178.18 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 69.3 tttt -60.89 -55.8 28.74 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.2 -0.909 . . . . 71.24 110.881 176.796 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 112' ' ' VAL . . . . . 0.495 ' O ' ' HG2' ' A' ' 116' ' ' GLU . 21.4 t -61.6 -49.21 85.3 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 115.903 -0.589 . . . . 61.52 110.476 -177.651 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -58.95 -36.63 75.12 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.696 -0.684 . . . . 65.11 111.836 -175.962 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 114' ' ' ARG . . . . . 0.559 ' HA ' HG21 ' A' ' 94' ' ' ILE . 18.0 ttm180 -63.42 -45.3 91.6 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 121.047 0.451 . . . . 72.21 110.389 178.488 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 61.6 mt -65.94 -45.71 90.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.032 -0.531 . . . . 72.53 110.98 178.205 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 116' ' ' GLU . . . . . 0.495 ' HG2' ' O ' ' A' ' 112' ' ' VAL . 39.0 mm-40 -58.88 -36.87 75.36 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.493 -0.321 . . . . 75.32 111.597 178.366 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 117' ' ' ALA . . . . . 0.501 ' N ' ' HA3' ' A' ' 105' ' ' GLY . . . -63.81 -46.72 83.84 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.01 0.433 . . . . 72.32 110.75 177.928 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 118' ' ' ALA . . . . . 0.494 ' O ' ' HG ' ' A' ' 122' ' ' LEU . . . -66.4 -30.17 70.48 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.765 -0.652 . . . . 74.22 111.103 -179.837 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -59.76 -46.34 89.47 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.289 -0.414 . . . . 51.43 110.79 176.653 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 120' ' ' THR . . . . . 0.473 ' O ' ' HG2' ' A' ' 123' ' ' ARG . 37.2 m -61.35 -38.83 88.35 Favored 'General case' 0 C--O 1.234 0.237 0 CA-C-O 121.296 0.57 . . . . 74.21 110.548 176.876 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -62.39 -51.39 67.78 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.793 -0.639 . . . . 73.1 110.915 179.179 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 122' ' ' LEU . . . . . 0.494 ' HG ' ' O ' ' A' ' 118' ' ' ALA . 58.7 mt -53.73 -47.65 70.39 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.299 -0.41 . . . . 73.53 111.618 -177.526 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 123' ' ' ARG . . . . . 0.473 ' HG2' ' O ' ' A' ' 120' ' ' THR . 4.9 ptp180 -68.41 -19.87 64.63 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.759 0.314 . . . . 73.25 111.401 -175.946 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 26.2 t -78.68 -24.31 45.14 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.652 0.263 . . . . 71.52 110.375 176.465 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 82.3 m-85 -85.96 -55.87 3.74 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 109.828 -0.434 . . . . 60.12 109.828 176.085 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 126' ' ' ILE . . . . . 0.444 HD13 ' H ' ' A' ' 126' ' ' ILE . 0.2 OUTLIER -132.54 143.67 39.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-O 121.175 0.512 . . . . 64.2 110.629 178.532 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 1.1 pp0? -123.24 174.39 7.32 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 109.323 -0.621 . . . . 72.13 109.323 175.298 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 52.4 m-85 -125.55 8.38 7.68 Favored 'General case' 0 C--N 1.322 -0.621 0 C-N-CA 120.379 -0.528 . . . . 61.33 111.499 -176.234 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 9.8 mtpm? 55.81 42.77 28.68 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-O 121.456 0.646 . . . . 64.11 109.626 -175.201 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -53.83 -49.28 68.74 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 114.632 -1.167 . . . . 64.25 111.852 -174.517 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 68.63 37.53 84.94 Favored Glycine 0 N--CA 1.449 -0.464 0 C-N-CA 120.719 -0.753 . . . . 60.13 112.048 -177.793 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -106.47 164.62 11.9 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 110.197 -0.298 . . . . 52.03 110.197 179.501 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 23.9 m -114.72 137.96 46.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-O 121.259 0.552 . . . . 65.12 110.723 -179.427 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 7.3 mp -81.22 83.31 6.87 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.977 -0.556 . . . . 65.0 109.941 178.686 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 135' ' ' SER . . . . . 0.587 ' HB2' ' HD3' ' A' ' 136' ' ' PRO . 38.0 m -65.45 -46.76 69.87 Favored Pre-proline 0 C--N 1.324 -0.508 0 CA-C-N 115.522 -0.763 . . . . 74.54 111.96 179.302 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 136' ' ' PRO . . . . . 0.587 ' HD3' ' HB2' ' A' ' 135' ' ' SER . 2.6 Cg_endo -82.76 58.46 6.43 Favored 'Trans proline' 0 C--N 1.351 0.69 0 C-N-CA 122.231 1.954 . . . . 43.02 111.377 173.854 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 137' ' ' LEU . . . . . 0.466 ' H ' HD23 ' A' ' 137' ' ' LEU . 0.6 OUTLIER -62.69 147.57 49.16 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.661 -0.7 . . . . 64.44 110.791 -179.825 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 138' ' ' LYS . . . . . 0.52 ' HD2' ' HD2' ' A' ' 139' ' ' PRO . 27.4 tptp -120.59 113.36 33.46 Favored Pre-proline 0 C--N 1.321 -0.664 0 CA-C-N 115.883 -0.599 . . . . 75.55 110.627 -178.184 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 139' ' ' PRO . . . . . 0.52 ' HD2' ' HD2' ' A' ' 138' ' ' LYS . 32.9 Cg_endo -65.99 140.76 61.54 Favored 'Trans proline' 0 C--O 1.235 0.352 0 C-N-CA 122.29 1.994 . . . . 61.4 111.02 173.444 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.245 0.861 0 CA-C-O 118.535 -0.745 . . . . 73.12 110.609 -176.791 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . 0.542 ' ND2' HG22 ' A' ' 66' ' ' VAL . 9.2 p-10 . . . . . 0 N--CA 1.452 -0.337 0 CA-C-O 121.626 0.727 . . . . 64.21 110.913 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 24.1 p -61.16 -28.32 69.04 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 114.856 -1.066 . . . . 74.14 112.468 -175.049 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.542 HG22 ' ND2' ' A' ' 64' ' ' ASN . 1.9 m -65.39 -29.95 48.74 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.148 0 CA-C-O 121.032 0.444 . . . . 75.42 110.283 -177.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.435 ' O ' ' HG2' ' A' ' 71' ' ' GLU . . . -73.26 -39.44 65.42 Favored 'General case' 0 N--CA 1.451 -0.412 0 N-CA-C 109.417 -0.586 . . . . 52.22 109.417 176.851 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 69.0 mmm -57.46 -46.52 83.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.116 -0.947 . . . . 72.22 110.651 176.562 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -59.18 -36.75 75.88 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.925 -0.579 . . . . 63.21 111.436 179.684 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 23.4 m-80 -70.56 -19.99 62.83 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.021 0.438 . . . . 72.25 110.711 -178.347 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.435 ' HG2' ' O ' ' A' ' 67' ' ' ALA . 5.7 mm-40 -84.52 -20.96 30.76 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.899 -0.591 . . . . 74.2 110.412 176.921 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 85.1 mt -90.88 -71.79 0.61 Allowed 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.816 -0.629 . . . . 74.32 111.377 -178.491 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 28.8 mmm180 -128.9 139.35 52.17 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.266 -0.424 . . . . 74.11 110.837 -172.529 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 5.0 p-80 -93.38 172.3 8.37 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 109.407 -0.59 . . . . 71.34 109.407 173.28 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 89.55 10.88 64.88 Favored Glycine 0 N--CA 1.447 -0.631 0 C-N-CA 120.506 -0.854 . . . . 72.31 111.058 -176.868 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.821 ' H ' HD23 ' A' ' 76' ' ' LEU . 2.0 pt? -84.99 117.45 23.98 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.219 0.533 . . . . 74.13 110.356 -178.931 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . 0.579 ' O ' ' HA ' ' A' ' 96' ' ' VAL . 3.8 mp -109.21 110.95 34.0 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 CA-C-N 116.105 -0.498 . . . . 73.15 110.573 179.69 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . 0.453 ' CD1' ' HG3' ' A' ' 114' ' ' ARG . 98.8 m-85 -88.46 108.96 19.65 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 109.862 -0.421 . . . . 74.15 109.862 174.132 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 30.8 pttt -127.56 134.9 49.71 Favored 'General case' 0 C--N 1.316 -0.878 0 CA-C-N 116.028 -0.533 . . . . 71.42 110.571 -176.119 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 45.1 tp -78.92 97.48 6.03 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 109.318 -0.623 . . . . 74.21 109.318 178.093 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -78.41 -28.73 46.89 Favored 'General case' 0 C--N 1.325 -0.476 0 C-N-CA 120.606 -0.437 . . . . 72.24 111.328 -174.446 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 49.1 m -152.46 142.82 22.55 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 120.679 0.276 . . . . 70.21 110.342 178.784 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 22.7 tm0? -131.67 124.05 29.05 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 109.445 -0.576 . . . . 73.51 109.445 176.782 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 9.5 p -146.83 -163.51 1.77 Allowed 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.918 -0.583 . . . . 64.1 110.176 -176.718 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 102.3 176.63 27.57 Favored Glycine 0 N--CA 1.449 -0.489 0 C-N-CA 121.078 -0.582 . . . . 40.22 113.086 170.753 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 62.9 Cg_endo -72.4 -173.6 1.18 Allowed 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 123.124 2.549 . . . . 74.02 112.091 175.367 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 14.1 p -95.92 -26.72 4.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-O 121.089 0.471 . . . . 61.31 110.252 178.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 43.7 p-80 -76.38 -23.16 54.08 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.02 -0.536 . . . . 65.45 110.352 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . 0.428 ' HB1' ' HD2' ' A' ' 108' ' ' ARG . . . -165.62 75.91 1.3 Allowed Pre-proline 0 C--N 1.331 -0.211 0 CA-C-N 116.189 -0.459 . . . . 64.34 110.458 179.627 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' PRO . . . . . 0.669 ' O ' ' HA ' ' A' ' 108' ' ' ARG . 7.1 Cg_exo -65.39 164.62 25.21 Favored 'Trans proline' 0 N--CA 1.46 -0.496 0 C-N-CA 122.132 1.888 . . . . 62.33 112.168 -176.649 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.415 HD11 ' HB3' ' A' ' 106' ' ' GLN . 2.7 tm? -111.81 114.05 26.78 Favored 'General case' 0 C--N 1.317 -0.806 0 N-CA-C 109.309 -0.626 . . . . 71.41 109.309 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.451 ' O ' ' HA ' ' A' ' 106' ' ' GLN . 25.4 m-85 -103.76 133.22 49.11 Favored 'General case' 0 C--N 1.315 -0.928 0 CA-C-N 115.101 -0.954 . . . . 74.13 109.198 179.327 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . 0.429 HG22 HD11 ' A' ' 104' ' ' LEU . 37.8 m -115.45 101.07 8.56 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-O 121.214 0.531 . . . . 64.04 110.291 -177.471 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . 0.484 HG21 ' HA ' ' A' ' 114' ' ' ARG . 6.5 mm -97.35 128.74 48.34 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.717 0 CA-C-N 115.409 -0.814 . . . . 72.24 110.1 -179.726 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . 0.579 ' CB ' ' HD3' ' A' ' 102' ' ' LYS . 2.3 p -109.79 122.7 48.1 Favored 'General case' 0 C--N 1.311 -1.095 0 CA-C-N 115.717 -0.674 . . . . 60.35 110.034 177.081 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.579 ' HA ' ' O ' ' A' ' 77' ' ' ILE . 11.8 p -110.73 124.17 67.28 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.846 0 CA-C-O 121.368 0.604 . . . . 55.24 109.71 174.263 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 22.2 tt0 -100.57 116.69 33.08 Favored 'General case' 0 C--N 1.314 -0.969 0 CA-C-N 115.799 -0.637 . . . . 74.02 109.47 179.743 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 17.9 t -130.87 122.5 52.29 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.7 0 CA-C-N 116.027 -0.533 . . . . 72.31 110.301 -177.163 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 55.43 25.3 7.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.233 -0.894 . . . . 72.42 112.309 178.538 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 96.31 -4.98 65.03 Favored Glycine 0 N--CA 1.449 -0.465 0 C-N-CA 120.803 -0.713 . . . . 34.42 112.925 177.83 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' GLN . . . . . 0.477 ' HA ' ' NE2' ' A' ' 101' ' ' GLN . 10.3 mm-40 -106.27 124.95 50.38 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-O 121.075 0.464 . . . . 62.22 110.641 177.438 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . 0.579 ' HD3' ' CB ' ' A' ' 95' ' ' SER . 3.2 tmmm? -92.58 114.03 26.46 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 115.58 -0.736 . . . . 64.55 109.618 -179.606 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 59.6 m-85 -100.3 134.38 43.31 Favored 'General case' 0 C--N 1.316 -0.886 0 CA-C-N 115.655 -0.702 . . . . 74.34 109.16 177.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.429 HD11 HG22 ' A' ' 93' ' ' THR . 13.2 tp -109.01 140.34 42.66 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 120.803 0.335 . . . . 55.1 111.005 -173.362 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . 0.41 ' HA3' ' N ' ' A' ' 117' ' ' ALA . . . -135.38 130.24 5.34 Favored Glycine 0 N--CA 1.445 -0.748 0 N-CA-C 111.281 -0.728 . . . . 71.05 111.281 177.091 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . 0.451 ' HA ' ' O ' ' A' ' 92' ' ' PHE . 32.1 mt-30 -122.23 112.43 18.16 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 121.167 0.508 . . . . 75.22 110.932 -176.328 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -132.71 -176.48 14.43 Favored Glycine 0 N--CA 1.447 -0.592 0 C-N-CA 120.879 -0.677 . . . . 74.21 111.657 -176.827 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . 0.669 ' HA ' ' O ' ' A' ' 90' ' ' PRO . 11.1 mmt180 -90.11 6.75 41.16 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.166 0.508 . . . . 75.01 111.186 -176.31 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 61.4 m -161.85 161.55 29.01 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 108.788 -0.819 . . . . 72.32 108.788 178.228 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 94.5 mttt -52.59 -42.98 65.02 Favored 'General case' 0 N--CA 1.467 0.419 0 CA-C-O 121.194 0.521 . . . . 70.22 110.613 177.529 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 42.1 tttp -61.59 -53.22 59.17 Favored 'General case' 0 N--CA 1.452 -0.333 0 CA-C-N 115.254 -0.885 . . . . 64.45 110.881 -177.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 22.0 t -57.83 -49.68 80.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 115.819 -0.628 . . . . 62.22 110.954 178.714 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -60.49 -38.08 83.15 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.067 -0.515 . . . . 64.42 111.279 -178.015 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 114' ' ' ARG . . . . . 0.493 ' HG2' HG11 ' A' ' 66' ' ' VAL . 40.0 ttm180 -62.94 -46.81 86.02 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.938 -0.574 . . . . 70.23 110.135 178.786 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 79.6 mt -56.09 -50.04 72.39 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.484 0 CA-C-N 115.623 -0.717 . . . . 73.23 111.172 174.281 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -56.78 -41.58 77.92 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.943 0.402 . . . . 51.15 111.416 -179.238 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . 0.552 ' HB1' HG12 ' A' ' 96' ' ' VAL . . . -62.14 -45.83 91.71 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.168 0.508 . . . . 34.41 111.046 179.61 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . 0.557 ' O ' ' HG ' ' A' ' 122' ' ' LEU . . . -69.14 -30.43 68.67 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.685 -0.689 . . . . 61.33 111.625 -176.771 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -59.78 -47.76 84.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.041 0.448 . . . . 61.11 110.605 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 25.8 m -58.84 -40.77 85.2 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.809 -0.632 . . . . 72.03 110.598 177.484 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -63.27 -42.15 99.1 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.832 -0.622 . . . . 51.54 111.226 -179.257 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . 0.557 ' HG ' ' O ' ' A' ' 118' ' ' ALA . 65.7 mt -57.77 -51.63 68.78 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.296 -0.411 . . . . 64.32 111.329 -177.085 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 2.5 ptm180 -68.31 -17.73 64.34 Favored 'General case' 0 CA--C 1.533 0.293 0 CA-C-O 121.125 0.488 . . . . 71.35 110.556 -176.707 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 22.8 t -72.86 -30.09 63.71 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.172 -0.467 . . . . 60.32 110.505 176.615 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 62.9 m-85 -89.28 -64.05 1.2 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.047 0.451 . . . . 74.01 110.332 179.511 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 126' ' ' ILE . . . . . 0.588 HD13 ' H ' ' A' ' 126' ' ' ILE . 0.2 OUTLIER . . . . . 0 C--N 1.323 -0.561 0 CA-C-O 121.325 0.583 . . . . 60.11 109.827 178.77 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . 0.667 ' ND2' ' HB ' ' A' ' 66' ' ' VAL . 11.9 p-10 . . . . . 0 CA--C 1.512 -0.497 0 CA-C-O 121.16 0.505 . . . . 55.12 110.563 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 32.5 p -57.24 -29.33 63.7 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.226 -0.897 . . . . 61.33 110.853 178.272 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.667 ' HB ' ' ND2' ' A' ' 64' ' ' ASN . 29.6 t -56.66 -48.31 80.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 115.257 -0.883 . . . . 64.43 110.599 176.888 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.567 ' O ' ' HG3' ' A' ' 71' ' ' GLU . . . -65.86 -36.79 84.43 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.942 -0.572 . . . . 74.34 110.271 178.798 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' MET . . . . . 0.475 ' HB2' HD11 ' A' ' 122' ' ' LEU . 70.9 mmm -59.49 -45.38 91.85 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.746 -0.661 . . . . 72.34 110.752 177.68 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.58 ' HB3' HD13 ' A' ' 76' ' ' LEU . 1.1 mt -62.32 -33.35 74.51 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.924 -0.58 . . . . 75.53 110.958 179.787 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 27.1 m-80 -69.93 -21.09 63.31 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.217 -0.447 . . . . 54.23 110.594 178.843 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.567 ' HG3' ' O ' ' A' ' 67' ' ' ALA . 30.7 mt-10 -85.04 -20.36 30.55 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.056 -0.52 . . . . 73.31 110.226 178.18 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 93.5 mt -94.92 -66.29 0.92 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.128 -0.487 . . . . 74.31 111.622 -178.192 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 10.7 mmt180 -117.16 172.94 6.95 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.167 0.508 . . . . 74.22 111.502 -176.063 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 6.7 p-80 -125.75 164.55 20.41 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.469 -0.787 . . . . 75.04 109.328 174.548 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 80.42 21.15 65.11 Favored Glycine 0 N--CA 1.448 -0.559 0 C-N-CA 120.209 -0.996 . . . . 60.03 111.191 -179.039 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.88 ' H ' HD23 ' A' ' 76' ' ' LEU . 1.4 pt? -85.52 102.2 13.31 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.357 0.598 . . . . 74.5 110.075 179.631 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . 0.545 ' O ' ' HA ' ' A' ' 96' ' ' VAL . 3.4 mp -93.99 112.05 26.17 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.768 0 CA-C-N 115.837 -0.62 . . . . 64.5 110.85 -178.181 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . 0.525 ' CZ ' HG13 ' A' ' 66' ' ' VAL . 97.9 m-85 -89.32 108.92 19.9 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 109.609 -0.515 . . . . 75.33 109.609 173.016 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . 0.456 ' HG3' ' OG ' ' A' ' 95' ' ' SER . 31.5 pttt -127.95 128.38 44.99 Favored 'General case' 0 C--N 1.314 -0.949 0 CA-C-N 115.806 -0.634 . . . . 44.0 110.408 -175.236 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 43.8 tp -74.13 99.49 3.39 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.029 -0.532 . . . . 73.32 109.656 179.096 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . 0.43 ' OE1' ' HB3' ' A' ' 95' ' ' SER . 6.1 pt-20 -82.44 -29.0 30.96 Favored 'General case' 0 C--N 1.323 -0.582 0 C-N-CA 120.449 -0.501 . . . . 74.3 111.136 -174.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 24.9 m -151.78 149.6 29.21 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.796 0.331 . . . . 72.11 111.403 -178.676 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 22.8 tm0? -149.82 117.55 6.22 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 109.346 -0.613 . . . . 64.4 109.346 173.735 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 2.7 p -151.63 154.81 37.13 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.09 -0.504 . . . . 74.31 110.047 -179.876 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 139.56 176.08 14.62 Favored Glycine 0 N--CA 1.448 -0.525 0 C-N-CA 120.457 -0.878 . . . . 44.24 112.811 175.887 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -68.23 171.78 12.14 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.924 2.416 . . . . 73.24 111.899 179.355 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 14.6 p -80.81 -27.86 11.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-O 120.74 0.305 . . . . 74.42 110.987 -178.474 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 35.8 p-80 -75.11 -26.99 59.68 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 120.817 0.341 . . . . 74.02 110.624 179.529 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -153.41 77.14 6.06 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 116.229 -0.441 . . . . 64.21 110.623 178.667 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' PRO . . . . . 0.449 ' O ' ' HA ' ' A' ' 108' ' ' ARG . 57.8 Cg_endo -78.49 142.65 18.66 Favored 'Trans proline' 0 N--CA 1.458 -0.592 0 C-N-CA 122.234 1.956 . . . . 75.31 111.456 178.677 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.4 HD11 ' HB3' ' A' ' 106' ' ' GLN . 22.0 tp -99.29 131.61 45.19 Favored 'General case' 0 C--N 1.316 -0.858 0 CA-C-O 121.426 0.632 . . . . 74.34 110.767 -178.235 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.419 ' O ' ' HA ' ' A' ' 106' ' ' GLN . 11.0 m-85 -114.33 135.6 53.9 Favored 'General case' 0 C--N 1.313 -1.008 0 CA-C-N 115.093 -0.958 . . . . 73.0 108.654 177.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . 0.471 HG22 HD11 ' A' ' 104' ' ' LEU . 24.7 m -120.19 100.83 7.42 Favored 'General case' 0 C--N 1.313 -0.99 0 CA-C-O 121.314 0.578 . . . . 43.2 110.388 -176.223 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . 0.446 HG21 ' HA ' ' A' ' 114' ' ' ARG . 7.4 mm -97.45 127.82 49.36 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.792 0 CA-C-N 115.308 -0.86 . . . . 72.04 109.888 -178.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . 0.571 ' HB2' ' HD3' ' A' ' 102' ' ' LYS . 6.4 p -106.92 123.28 47.94 Favored 'General case' 0 C--N 1.312 -1.03 0 CA-C-N 115.634 -0.712 . . . . 64.54 109.753 178.36 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.545 ' HA ' ' O ' ' A' ' 77' ' ' ILE . 12.6 p -116.28 128.23 73.65 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 CA-C-O 121.401 0.619 . . . . 63.12 109.883 175.938 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 12.0 tt0 -101.64 111.91 24.3 Favored 'General case' 0 C--N 1.315 -0.921 0 CA-C-N 115.79 -0.641 . . . . 74.45 109.648 -177.788 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . 0.423 HG23 HG22 ' A' ' 96' ' ' VAL . 62.0 t -132.47 124.0 50.83 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.784 0 CA-C-N 116.113 -0.494 . . . . 64.12 110.46 -175.523 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 2.1 t70 60.57 21.99 11.78 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-N 115.723 -0.671 . . . . 63.23 111.06 177.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 93.72 -13.88 66.51 Favored Glycine 0 C--N 1.331 0.297 0 C-N-CA 120.941 -0.647 . . . . 74.2 112.204 -179.294 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 16.1 mm-40 -93.03 127.87 38.71 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 121.192 0.52 . . . . 72.1 110.289 178.214 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . 0.571 ' HD3' ' HB2' ' A' ' 95' ' ' SER . 2.5 tmmm? -93.85 106.07 18.06 Favored 'General case' 0 C--N 1.315 -0.911 0 CA-C-N 115.58 -0.736 . . . . 71.22 109.549 179.183 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' TYR . . . . . 0.49 ' HB3' ' HB ' ' A' ' 120' ' ' THR . 79.5 m-85 -93.76 130.85 39.59 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-N 115.376 -0.829 . . . . 55.22 109.594 179.656 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.471 HD11 HG22 ' A' ' 93' ' ' THR . 13.3 tp -104.43 139.07 39.9 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-O 120.982 0.42 . . . . 44.42 110.752 -176.11 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . 0.443 ' HA3' ' N ' ' A' ' 117' ' ' ALA . . . -128.89 125.67 5.01 Favored Glycine 0 N--CA 1.44 -1.075 0 N-CA-C 111.329 -0.708 . . . . 72.15 111.329 177.081 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . 0.419 ' HA ' ' O ' ' A' ' 92' ' ' PHE . 21.2 mt-30 -120.04 122.97 42.3 Favored 'General case' 0 C--N 1.317 -0.812 0 N-CA-C 109.919 -0.4 . . . . 71.34 109.919 -177.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -143.11 -176.39 17.12 Favored Glycine 0 N--CA 1.447 -0.619 0 N-CA-C 111.575 -0.61 . . . . 44.23 111.575 -178.745 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . 0.449 ' HA ' ' O ' ' A' ' 90' ' ' PRO . 24.8 mmt180 -88.04 2.91 50.74 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.133 0.492 . . . . 52.11 110.873 -176.84 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 35.6 m -160.87 165.48 30.07 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 109.317 -0.623 . . . . 74.11 109.317 -179.762 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 91.7 mttt -56.68 -42.8 79.69 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-O 121.199 0.523 . . . . 63.31 109.852 176.203 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 43.3 tttt -52.92 -54.57 32.9 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-N 114.707 -1.133 . . . . 73.41 110.913 178.375 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . 0.507 ' O ' ' HG2' ' A' ' 116' ' ' GLU . 26.3 t -64.64 -51.18 70.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 115.476 -0.784 . . . . 70.11 110.729 -178.066 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -57.8 -39.95 78.77 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.949 -0.569 . . . . 62.1 111.962 -176.11 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 114' ' ' ARG . . . . . 0.508 ' HG3' ' CD1' ' A' ' 78' ' ' TYR . 41.0 ttm180 -65.51 -44.37 87.21 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.872 0.367 . . . . 64.0 110.617 179.908 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 115' ' ' ILE . . . . . 0.415 HG12 ' HB2' ' A' ' 64' ' ' ASN . 72.8 mt -60.19 -49.03 85.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 115.938 -0.574 . . . . 75.12 110.784 174.588 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . 0.507 ' HG2' ' O ' ' A' ' 112' ' ' VAL . 29.7 mm-40 -57.54 -40.38 78.69 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.463 -0.335 . . . . 74.15 111.545 179.091 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . 0.46 ' HB1' HG12 ' A' ' 96' ' ' VAL . . . -61.56 -47.44 85.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.117 0.484 . . . . 44.41 110.5 178.749 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . 0.463 ' O ' ' HG ' ' A' ' 122' ' ' LEU . . . -67.91 -32.23 72.56 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.67 -0.696 . . . . 64.24 110.915 179.806 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -64.16 -38.12 89.93 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.167 -0.47 . . . . 75.11 110.373 177.88 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 120' ' ' THR . . . . . 0.49 ' HB ' ' HB3' ' A' ' 103' ' ' TYR . 27.3 m -62.56 -40.69 97.65 Favored 'General case' 0 N--CA 1.452 -0.351 0 CA-C-O 121.336 0.589 . . . . 43.2 110.045 176.426 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -64.9 -52.14 58.14 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.54 -0.754 . . . . 74.25 111.155 178.659 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . 0.475 HD11 ' HB2' ' A' ' 68' ' ' MET . 62.0 mt -56.33 -47.87 77.89 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.328 -0.396 . . . . 73.04 111.518 -177.887 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 14.8 ptp180 -69.48 -16.09 63.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.354 -0.385 . . . . 74.32 110.94 -177.036 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 21.7 t -81.98 -28.16 32.81 Favored 'General case' 0 N--CA 1.453 -0.31 0 N-CA-C 109.879 -0.415 . . . . 62.2 109.879 176.542 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 25.0 m-85 -80.72 -56.16 4.33 Favored 'General case' 0 N--CA 1.451 -0.408 0 CA-C-N 116.015 -0.539 . . . . 60.51 110.201 179.52 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 126' ' ' ILE . . . . . 0.422 HD13 ' H ' ' A' ' 126' ' ' ILE . 0.2 OUTLIER . . . . . 0 C--O 1.233 0.196 0 CA-C-N 116.264 -0.425 . . . . 61.44 111.16 -176.892 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . 0.634 ' OD1' ' HB ' ' A' ' 66' ' ' VAL . 8.5 p30 . . . . . 0 C--O 1.235 0.339 0 CA-C-O 122.194 0.997 . . . . 61.34 111.691 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 25.2 p -72.7 -16.81 61.67 Favored 'General case' 0 C--N 1.313 -1.007 0 CA-C-N 114.182 -1.372 . . . . 73.24 110.805 -179.763 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.634 ' HB ' ' OD1' ' A' ' 64' ' ' ASN . 65.3 t -60.75 -48.86 86.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 115.589 -0.732 . . . . 71.32 110.177 177.253 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.536 ' O ' ' HG3' ' A' ' 71' ' ' GLU . . . -63.69 -40.21 96.22 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.798 -0.637 . . . . 64.12 109.957 176.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 77.5 mmm -56.68 -42.18 78.6 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.527 -0.761 . . . . 75.21 111.381 177.539 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.709 ' HB3' HD13 ' A' ' 76' ' ' LEU . 2.9 mt -63.07 -37.33 86.77 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.477 -0.329 . . . . 75.51 111.026 -179.784 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 27.3 m-80 -64.78 -24.32 67.52 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.091 0.472 . . . . 73.24 110.514 179.103 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.536 ' HG3' ' O ' ' A' ' 67' ' ' ALA . 29.9 mt-10 -86.45 -18.73 30.96 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.776 -0.647 . . . . 71.32 110.862 179.743 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 55.7 mt -96.67 -65.08 0.99 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.858 0.361 . . . . 63.33 111.602 -178.062 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -134.83 117.07 15.52 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 120.873 0.368 . . . . 72.44 111.1 -173.433 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 11.4 p-80 -73.72 159.8 32.45 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.899 -0.591 . . . . 74.32 110.14 174.275 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 93.07 30.5 9.3 Favored Glycine 0 N--CA 1.446 -0.638 0 C-N-CA 120.37 -0.919 . . . . 43.4 111.131 -175.636 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.846 ' H ' HD23 ' A' ' 76' ' ' LEU . 1.3 pt? -98.25 114.82 27.21 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.01 0.434 . . . . 75.23 110.454 -179.57 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . 0.48 ' O ' ' HA ' ' A' ' 96' ' ' VAL . 4.2 mp -114.77 110.37 31.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-N 116.146 -0.479 . . . . 71.41 110.589 -178.609 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . 0.468 ' CD1' ' HG3' ' A' ' 114' ' ' ARG . 90.9 m-85 -90.16 123.08 33.69 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 110.274 -0.269 . . . . 74.0 110.274 177.665 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 16.8 ptpt -132.27 144.08 50.35 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 116.139 -0.482 . . . . 75.31 110.287 179.098 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 49.1 tp -87.48 100.61 12.89 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 109.1 -0.704 . . . . 72.21 109.1 177.728 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -85.82 -27.24 25.25 Favored 'General case' 0 C--N 1.325 -0.483 0 C-N-CA 120.519 -0.472 . . . . 72.23 111.7 -173.215 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 70.7 m -156.86 153.48 28.3 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.943 0.401 . . . . 75.33 111.074 -178.793 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 23.2 tm0? -149.98 116.57 5.82 Favored 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 108.592 -0.892 . . . . 70.5 108.592 178.266 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 22.5 p -147.62 157.4 43.54 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 116.324 -0.398 . . . . 63.55 110.854 -174.064 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 129.22 -165.06 22.04 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.253 -0.975 . . . . 53.25 112.825 172.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -75.15 177.04 9.14 Favored 'Trans proline' 0 N--CA 1.462 -0.373 0 C-N-CA 122.932 2.421 . . . . 64.24 111.887 177.314 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 13.2 p -92.21 -27.13 4.77 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-O 120.898 0.38 . . . . 73.31 110.319 -179.317 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 49.7 p-80 -75.91 -23.85 55.56 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.254 -0.43 . . . . 73.44 110.358 -179.682 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . 0.439 ' HB1' ' HD2' ' A' ' 108' ' ' ARG . . . -155.59 72.59 5.43 Favored Pre-proline 0 C--N 1.328 -0.359 0 CA-C-N 116.326 -0.397 . . . . 64.51 110.537 178.611 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' PRO . . . . . 0.539 ' O ' ' HA ' ' A' ' 108' ' ' ARG . 5.5 Cg_exo -71.54 146.29 49.2 Favored 'Trans proline' 0 N--CA 1.454 -0.795 0 C-N-CA 121.998 1.799 . . . . 64.23 111.786 -178.305 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.447 HD11 ' HB3' ' A' ' 106' ' ' GLN . 2.8 tm? -98.21 115.91 29.33 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-O 121.364 0.602 . . . . 64.41 109.569 -179.582 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 21.0 m-85 -100.82 136.19 41.08 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 115.259 -0.882 . . . . 74.12 109.121 179.216 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . 0.442 HG22 HD11 ' A' ' 104' ' ' LEU . 15.5 m -119.17 103.05 9.17 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 121.03 0.443 . . . . 43.21 110.591 -176.755 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . 0.542 HG21 ' HA ' ' A' ' 114' ' ' ARG . 7.1 mm -100.38 128.64 52.19 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 CA-C-N 115.667 -0.697 . . . . 63.25 109.766 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . 0.621 ' HB2' ' HD3' ' A' ' 102' ' ' LYS . 0.6 OUTLIER -110.14 137.64 47.61 Favored 'General case' 0 C--N 1.314 -0.962 0 CA-C-N 116.016 -0.538 . . . . 45.22 110.431 175.651 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.542 HG12 ' HB1' ' A' ' 117' ' ' ALA . 7.1 p -133.34 128.1 54.89 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.818 0 CA-C-N 115.822 -0.626 . . . . 72.24 110.14 176.149 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 26.7 tt0 -96.7 115.72 27.91 Favored 'General case' 0 C--N 1.316 -0.867 0 N-CA-C 109.353 -0.61 . . . . 73.1 109.353 176.489 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 18.6 t -124.34 120.92 60.48 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.792 0 CA-C-N 115.868 -0.605 . . . . 74.13 109.763 -176.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 22.1 t70 67.27 1.73 2.55 Favored 'General case' 0 N--CA 1.47 0.556 0 O-C-N 123.739 0.649 . . . . 64.14 111.142 179.708 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 120.33 -19.05 9.36 Favored Glycine 0 N--CA 1.446 -0.669 0 C-N-CA 120.944 -0.646 . . . . 74.22 112.298 -178.695 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' GLN . . . . . 0.491 ' HA ' ' NE2' ' A' ' 101' ' ' GLN . 13.6 mm-40 -91.99 133.57 35.6 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.991 0.424 . . . . 63.52 111.249 -179.873 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . 0.621 ' HD3' ' HB2' ' A' ' 95' ' ' SER . 0.5 OUTLIER -98.03 100.29 11.61 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.826 -0.624 . . . . 73.12 109.809 -176.195 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 70.6 m-85 -89.84 147.74 23.6 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.553 -0.749 . . . . 74.54 109.974 -178.813 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.442 HD11 HG22 ' A' ' 93' ' ' THR . 13.3 tp -118.47 137.13 53.39 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 120.877 0.37 . . . . 65.33 110.853 -177.172 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . 0.423 ' HA3' ' N ' ' A' ' 117' ' ' ALA . . . -130.98 131.15 6.32 Favored Glycine 0 N--CA 1.446 -0.681 0 N-CA-C 111.456 -0.658 . . . . 72.23 111.456 178.909 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . 0.447 ' HB3' HD11 ' A' ' 91' ' ' LEU . 23.8 mt-30 -122.67 125.25 45.21 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 120.867 0.365 . . . . 73.04 110.691 -175.378 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -145.28 179.69 22.19 Favored Glycine 0 N--CA 1.448 -0.505 0 C-N-CA 120.811 -0.709 . . . . 61.12 112.188 -178.13 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . 0.539 ' HA ' ' O ' ' A' ' 90' ' ' PRO . 29.0 mmt180 -88.75 6.92 36.42 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.176 0.513 . . . . 72.52 111.309 -177.309 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 49.3 m -160.57 165.94 29.88 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 108.665 -0.865 . . . . 52.11 108.665 178.283 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 55.3 mttp -59.07 -39.62 82.7 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.188 0.518 . . . . 52.25 110.343 -179.27 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 82.2 tttt -62.55 -53.81 49.15 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.248 -0.887 . . . . 61.21 111.056 -179.491 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . 0.473 ' O ' ' HG2' ' A' ' 116' ' ' GLU . 22.5 t -53.79 -50.95 48.68 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 115.923 -0.58 . . . . 63.04 110.248 179.517 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -60.9 -41.54 96.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.841 -0.618 . . . . 51.31 111.744 -177.035 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 114' ' ' ARG . . . . . 0.542 ' HA ' HG21 ' A' ' 94' ' ' ILE . 22.5 ttm180 -63.03 -41.98 99.66 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.897 0.38 . . . . 71.23 110.57 179.635 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 115' ' ' ILE . . . . . 0.535 HG12 ' HB2' ' A' ' 64' ' ' ASN . 73.4 mt -65.74 -47.92 84.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 116.026 -0.533 . . . . 60.44 111.044 176.576 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . 0.473 ' HG2' ' O ' ' A' ' 112' ' ' VAL . 42.8 mm-40 -57.84 -38.57 75.9 Favored 'General case' 0 C--O 1.236 0.349 0 CA-C-O 120.927 0.394 . . . . 63.32 111.642 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . 0.542 ' HB1' HG12 ' A' ' 96' ' ' VAL . . . -62.49 -44.89 95.27 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.257 -0.429 . . . . 74.31 110.382 177.315 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . 0.528 ' O ' ' HG ' ' A' ' 122' ' ' LEU . . . -67.13 -35.72 80.34 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.709 -0.678 . . . . 73.31 111.274 -179.844 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -61.65 -38.57 88.22 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.137 0.494 . . . . 72.32 110.584 179.89 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 120' ' ' THR . . . . . 0.484 ' O ' ' HG2' ' A' ' 123' ' ' ARG . 21.4 m -67.44 -41.88 84.04 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.669 -0.696 . . . . 70.32 110.287 178.567 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -59.39 -47.11 86.69 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.767 -0.651 . . . . 70.11 110.738 178.333 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . 0.528 ' HG ' ' O ' ' A' ' 118' ' ' ALA . 37.4 mt -53.25 -49.65 66.42 Favored 'General case' 0 N--CA 1.462 0.152 0 CA-C-N 115.97 -0.559 . . . . 65.35 111.542 -177.556 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 123' ' ' ARG . . . . . 0.484 ' HG2' ' O ' ' A' ' 120' ' ' THR . 23.9 ptt180 -66.39 -24.92 66.56 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.466 -0.334 . . . . 71.13 111.011 -175.376 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 4.7 t -73.38 -24.06 60.26 Favored 'General case' 0 N--CA 1.453 -0.311 0 CA-C-O 121.122 0.487 . . . . 53.22 110.156 179.682 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 63.7 m-85 -87.54 -54.72 4.13 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.048 -0.524 . . . . 74.34 110.333 175.721 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 126' ' ' ILE . . . . . 0.473 ' O ' ' HA ' ' A' ' 123' ' ' ARG . 0.2 OUTLIER . . . . . 0 C--N 1.33 -0.265 0 CA-C-N 116.135 -0.484 . . . . 74.43 110.619 -178.592 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 17.0 p-10 . . . . . 0 CA--C 1.516 -0.352 0 CA-C-O 121.419 0.628 . . . . 64.42 110.648 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 34.1 p -56.77 -27.68 59.99 Favored 'General case' 0 C--N 1.315 -0.913 0 CA-C-N 114.848 -1.069 . . . . 73.05 111.392 -179.816 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 38.4 t -57.21 -44.92 84.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 115.584 -0.735 . . . . 71.33 110.405 176.306 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -62.32 -42.92 99.78 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.756 -0.656 . . . . 42.44 110.09 178.463 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 69.0 mmm -58.44 -44.3 89.1 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.22 -0.9 . . . . 54.44 110.727 178.782 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.58 ' HB3' HD13 ' A' ' 76' ' ' LEU . 0.9 OUTLIER -62.04 -37.27 84.29 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.062 -0.517 . . . . 55.04 111.491 179.498 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 20.3 m-80 -69.04 -20.27 64.12 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-O 121.178 0.514 . . . . 74.34 110.732 -178.045 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 -86.91 -26.67 23.8 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.598 -0.728 . . . . 73.24 110.955 178.612 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 80.3 mt -86.35 -61.09 1.82 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.054 -0.521 . . . . 72.04 112.027 -175.369 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . 0.412 HH11 ' HD3' ' A' ' 73' ' ' ARG . 6.3 mmt-85 -125.29 173.57 8.73 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.939 0.399 . . . . 61.4 111.311 -175.763 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 10.3 p-80 -121.64 160.3 24.71 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.611 -0.722 . . . . 73.01 109.284 174.582 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 78.42 38.11 25.89 Favored Glycine 0 N--CA 1.446 -0.672 0 C-N-CA 120.317 -0.945 . . . . 62.22 111.508 -177.666 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.749 ' H ' HD23 ' A' ' 76' ' ' LEU . 0.7 OUTLIER -95.39 88.67 5.18 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.344 0.592 . . . . 44.31 110.008 178.205 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 4.3 mp -89.28 108.46 19.16 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-N 115.958 -0.564 . . . . 74.22 110.524 -177.322 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . 0.43 ' CD1' ' HB ' ' A' ' 96' ' ' VAL . 94.1 m-85 -82.63 119.66 24.57 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 109.533 -0.543 . . . . 74.35 109.533 174.843 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . 0.634 ' HG2' ' O ' ' A' ' 95' ' ' SER . 14.3 ptpt -127.47 133.9 49.86 Favored 'General case' 0 C--N 1.318 -0.8 0 N-CA-C 109.807 -0.442 . . . . 73.33 109.807 -179.256 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.526 HD22 ' HE2' ' A' ' 110' ' ' LYS . 34.0 tp -81.49 116.07 21.1 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 109.189 -0.671 . . . . 62.44 109.189 177.336 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -93.35 -29.84 15.42 Favored 'General case' 0 C--N 1.322 -0.603 0 C-N-CA 120.292 -0.563 . . . . 71.11 111.631 -177.581 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 3.0 p -156.93 144.92 19.32 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.055 0.455 . . . . 64.13 111.749 -179.275 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 20.9 tm0? -125.48 124.46 41.42 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 109.025 -0.732 . . . . 64.21 109.025 174.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 7.2 p -146.41 -164.6 2.01 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.006 -0.543 . . . . 74.25 110.334 -176.653 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 95.11 175.37 37.77 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 121.164 -0.541 . . . . 72.23 113.095 171.711 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -68.25 -174.83 0.71 Allowed 'Trans proline' 0 C--N 1.345 0.36 0 C-N-CA 123.125 2.55 . . . . 70.32 111.738 176.525 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 9.9 p -97.75 -25.35 4.13 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.754 0 C-N-CA 120.514 -0.474 . . . . 74.35 110.401 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 43.1 p-80 -76.86 -24.91 52.61 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.998 0.428 . . . . 71.52 110.022 179.353 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -160.62 74.25 2.79 Favored Pre-proline 0 C--N 1.327 -0.37 0 CA-C-N 115.804 -0.635 . . . . 65.24 110.108 179.076 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' PRO . . . . . 0.63 ' O ' ' HA ' ' A' ' 108' ' ' ARG . 11.5 Cg_exo -65.42 166.86 18.21 Favored 'Trans proline' 0 N--CA 1.454 -0.802 0 C-N-CA 121.886 1.724 . . . . 73.51 112.115 -176.254 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.43 HD11 ' NE2' ' A' ' 106' ' ' GLN . 2.9 tm? -113.35 112.19 23.26 Favored 'General case' 0 C--N 1.314 -0.96 0 CA-C-N 115.475 -0.784 . . . . 71.13 109.26 179.713 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.493 ' O ' ' HA ' ' A' ' 106' ' ' GLN . 34.0 m-85 -104.14 131.74 51.1 Favored 'General case' 0 C--N 1.314 -0.958 0 CA-C-N 115.1 -0.954 . . . . 62.42 108.958 179.489 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . 0.456 HG22 HD11 ' A' ' 104' ' ' LEU . 19.7 m -113.27 104.85 12.74 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-O 121.313 0.578 . . . . 72.42 110.923 -178.183 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 5.7 mm -99.6 130.11 49.13 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.674 0 CA-C-N 115.336 -0.847 . . . . 62.03 110.055 179.124 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . 0.634 ' O ' ' HG2' ' A' ' 79' ' ' LYS . 0.1 OUTLIER -107.96 120.77 43.23 Favored 'General case' 0 C--N 1.312 -1.038 0 CA-C-N 115.537 -0.756 . . . . 73.32 109.616 175.507 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.46 HG22 HG23 ' A' ' 98' ' ' VAL . 10.1 p -110.14 124.81 67.19 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.822 0 C-N-CA 120.347 -0.541 . . . . 73.33 110.316 178.324 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 15.5 tt0 -95.47 113.57 25.24 Favored 'General case' 0 C--N 1.315 -0.9 0 N-CA-C 108.991 -0.744 . . . . 55.42 108.991 179.895 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . 0.46 HG23 HG22 ' A' ' 96' ' ' VAL . 32.7 t -134.29 123.51 43.43 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.775 0 CA-C-N 116.288 -0.414 . . . . 72.12 110.492 -175.885 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 20.1 t70 63.71 16.71 9.94 Favored 'General case' 0 CA--C 1.532 0.284 0 CA-C-O 121.46 0.648 . . . . 73.04 110.469 176.659 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 96.83 -11.68 66.13 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.873 -0.679 . . . . 71.44 112.208 -179.162 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 7.4 mm-40 -96.99 132.98 42.26 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.852 0.358 . . . . 71.41 110.34 177.266 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . 0.632 ' HD3' ' CB ' ' A' ' 95' ' ' SER . 2.0 tmmm? -94.97 113.4 25.1 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 121.055 0.455 . . . . 73.12 109.824 178.606 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' TYR . . . . . 0.427 ' HB3' ' HB ' ' A' ' 120' ' ' THR . 63.5 m-85 -100.63 141.84 32.93 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.79 -0.641 . . . . 60.44 109.656 177.519 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.456 HD11 HG22 ' A' ' 93' ' ' THR . 13.7 tp -114.02 144.67 42.72 Favored 'General case' 0 C--N 1.32 -0.683 0 C-N-CA 120.731 -0.387 . . . . 53.44 110.905 -174.682 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . 0.57 ' HA3' ' N ' ' A' ' 117' ' ' ALA . . . -142.52 136.21 7.05 Favored Glycine 0 N--CA 1.446 -0.672 0 N-CA-C 111.559 -0.616 . . . . 74.03 111.559 177.882 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . 0.493 ' HA ' ' O ' ' A' ' 92' ' ' PHE . 26.4 mt-30 -124.4 112.17 16.61 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.899 0.38 . . . . 73.14 110.408 -175.773 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -125.58 -172.64 13.46 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.965 -0.636 . . . . 72.5 112.371 -175.785 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . 0.63 ' HA ' ' O ' ' A' ' 90' ' ' PRO . 45.3 mmt-85 -90.33 -3.7 57.58 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.213 0.53 . . . . 72.42 110.939 -178.239 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 109' ' ' SER . . . . . 0.427 ' HB2' HG23 ' A' ' 112' ' ' VAL . 48.8 m -155.64 165.74 35.65 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 108.265 -1.013 . . . . 54.43 108.265 -178.882 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . 0.526 ' HE2' HD22 ' A' ' 80' ' ' LEU . 99.0 mttt -57.53 -43.28 84.23 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.293 0.568 . . . . 73.2 110.121 178.327 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 74.1 tttt -61.83 -48.84 78.75 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.2 -0.909 . . . . 73.24 110.752 179.469 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . 0.643 ' O ' ' HG2' ' A' ' 116' ' ' GLU . 45.1 t -61.86 -47.26 94.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 115.696 -0.684 . . . . 73.43 110.231 179.925 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -59.97 -38.33 82.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.09 -0.505 . . . . 75.52 111.105 179.685 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 16.8 ttm180 -60.3 -42.65 95.98 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.885 -0.598 . . . . 73.1 110.219 176.836 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 68.8 mt -61.49 -51.83 68.27 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.281 0 CA-C-N 115.762 -0.654 . . . . 72.54 110.722 175.041 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . 0.643 ' HG2' ' O ' ' A' ' 112' ' ' VAL . 5.2 mm-40 -57.96 -39.16 77.45 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 120.891 0.377 . . . . 72.04 111.268 -178.911 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . 0.57 ' N ' ' HA3' ' A' ' 105' ' ' GLY . . . -63.21 -44.99 93.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.133 0.492 . . . . 60.21 110.813 178.332 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . 0.563 ' O ' ' HG ' ' A' ' 122' ' ' LEU . . . -66.35 -30.22 70.57 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.538 -0.756 . . . . 75.24 110.934 179.522 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -60.43 -42.82 96.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.121 -0.491 . . . . 53.51 110.731 178.372 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 120' ' ' THR . . . . . 0.503 ' O ' ' HG2' ' A' ' 123' ' ' ARG . 31.6 m -63.04 -42.01 99.65 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.21 0.529 . . . . 70.12 110.657 177.796 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -61.45 -44.86 96.37 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.995 -0.548 . . . . 70.2 110.994 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . 0.563 ' HG ' ' O ' ' A' ' 118' ' ' ALA . 65.3 mt -57.88 -45.22 86.7 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.145 -0.479 . . . . 63.25 111.39 -177.779 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 123' ' ' ARG . . . . . 0.503 ' HG2' ' O ' ' A' ' 120' ' ' THR . 13.0 ptt180 -67.95 -20.27 65.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.76 0.314 . . . . 73.12 110.777 -175.689 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 27.1 m -78.71 -27.64 44.95 Favored 'General case' 0 N--CA 1.441 -0.879 0 CA-C-O 120.723 0.297 . . . . 61.3 111.545 176.308 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 125' ' ' PHE . . . . . 0.408 ' HE2' HD21 ' A' ' 69' ' ' LEU . 27.1 m-85 -89.6 -57.95 2.69 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.961 0.41 . . . . 64.54 111.299 -177.47 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 126' ' ' ILE . . . . . 0.484 HD13 ' H ' ' A' ' 126' ' ' ILE . 0.2 OUTLIER . . . . . 0 C--N 1.323 -0.578 0 CA-C-O 120.788 0.327 . . . . 71.43 110.193 -178.339 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . 0.51 ' ND2' ' HB ' ' A' ' 66' ' ' VAL . 15.8 p-10 . . . . . 0 N--CA 1.452 -0.37 0 CA-C-O 121.409 0.623 . . . . 61.54 110.869 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 33.8 p -65.8 -24.07 66.84 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 115.078 -0.964 . . . . 72.44 110.908 -179.393 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.51 ' HB ' ' ND2' ' A' ' 64' ' ' ASN . 38.8 t -56.85 -46.17 83.46 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 CA-C-N 115.442 -0.799 . . . . 55.04 110.353 176.512 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.553 ' O ' ' HG2' ' A' ' 71' ' ' GLU . . . -65.12 -39.68 93.42 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.417 -0.811 . . . . 72.43 110.217 178.488 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' MET . . . . . 0.414 ' HB2' HD11 ' A' ' 122' ' ' LEU . 82.6 mmm -58.93 -40.31 84.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.438 -0.801 . . . . 74.13 111.055 179.067 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.525 ' HB3' HD13 ' A' ' 76' ' ' LEU . 3.6 mt -65.58 -33.16 75.27 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.178 -0.464 . . . . 73.55 111.359 -179.849 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 26.1 m-80 -71.04 -19.97 62.43 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.181 0.515 . . . . 72.44 110.241 179.871 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.553 ' HG2' ' O ' ' A' ' 67' ' ' ALA . 19.2 mm-40 -84.23 -25.44 29.44 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.552 -0.749 . . . . 63.55 110.59 177.229 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 71.4 mt -96.26 -47.02 6.19 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 112.291 0.478 . . . . 74.24 112.291 -174.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 75.1 mmt-85 -130.89 161.13 32.53 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.259 0.552 . . . . 65.14 111.318 -179.615 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 5.5 p-80 -122.5 153.79 38.71 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 115.259 -0.882 . . . . 62.31 109.194 173.207 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 92.74 17.72 43.64 Favored Glycine 0 N--CA 1.445 -0.721 0 C-N-CA 120.341 -0.933 . . . . 75.25 111.651 -177.866 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.894 ' H ' HD23 ' A' ' 76' ' ' LEU . 1.3 pt? -85.01 133.26 34.25 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 110.032 -0.359 . . . . 54.14 110.032 179.03 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 2.6 mp -126.28 109.72 21.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 116.506 -0.316 . . . . 74.42 110.532 -178.689 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . 0.527 ' CE1' HD12 ' A' ' 76' ' ' LEU . 96.7 m-85 -86.81 119.41 27.01 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 109.864 -0.421 . . . . 64.03 109.864 176.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 16.6 ptpt -132.43 136.02 46.47 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-O 121.027 0.441 . . . . 71.15 110.749 -179.021 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.4 ' HA ' HD13 ' A' ' 94' ' ' ILE . 47.1 tp -79.23 100.33 7.45 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 109.308 -0.627 . . . . 64.43 109.308 175.845 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -92.48 -21.06 20.36 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 120.881 0.372 . . . . 72.44 111.739 -174.167 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . 0.519 ' HB2' ' HB ' ' A' ' 93' ' ' THR . 25.1 m -148.36 141.12 24.62 Favored 'General case' 0 C--N 1.319 -0.742 0 N-CA-C 109.95 -0.389 . . . . 71.04 109.95 178.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 21.3 tm0? -148.88 103.44 3.36 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 108.842 -0.799 . . . . 50.14 108.842 177.295 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 20.0 p -148.2 164.2 34.66 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.829 -0.623 . . . . 73.3 110.473 -175.516 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 129.78 -165.92 22.1 Favored Glycine 0 N--CA 1.445 -0.753 0 C-N-CA 120.277 -0.963 . . . . 64.43 112.517 174.493 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -75.24 172.24 16.73 Favored 'Trans proline' 0 N--CA 1.462 -0.354 0 C-N-CA 123.046 2.497 . . . . 73.45 111.668 177.755 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 10.5 p -90.21 -18.97 7.44 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 C-N-CA 120.842 -0.343 . . . . 60.01 110.566 -179.791 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 35.4 p-80 -79.2 -23.64 43.7 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-O 120.871 0.367 . . . . 72.22 110.413 178.039 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . 0.529 ' HB1' ' HD2' ' A' ' 108' ' ' ARG . . . -159.91 75.9 2.95 Favored Pre-proline 0 C--N 1.327 -0.391 0 CA-C-N 116.105 -0.498 . . . . 71.21 110.475 179.561 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' PRO . . . . . 0.537 ' O ' ' HA ' ' A' ' 108' ' ' ARG . 3.7 Cg_exo -69.31 146.27 62.4 Favored 'Trans proline' 0 N--CA 1.455 -0.753 0 C-N-CA 122.127 1.884 . . . . 72.32 111.35 -179.249 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.405 HD11 ' HB3' ' A' ' 106' ' ' GLN . 2.7 tm? -98.92 114.9 27.73 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-O 121.476 0.655 . . . . 73.44 109.668 -179.573 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.467 ' O ' ' HA ' ' A' ' 106' ' ' GLN . 10.3 m-85 -101.37 134.67 44.09 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 115.085 -0.961 . . . . 64.14 108.673 178.345 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . 0.519 ' HB ' ' HB2' ' A' ' 82' ' ' SER . 19.6 m -119.37 103.25 9.3 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-O 120.992 0.425 . . . . 61.13 110.296 -177.514 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . 0.4 HD13 ' HA ' ' A' ' 80' ' ' LEU . 8.5 mm -100.58 129.15 51.85 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.712 0 CA-C-N 115.619 -0.719 . . . . 71.33 109.547 179.242 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . 0.567 ' HB2' ' HD3' ' A' ' 102' ' ' LYS . 3.3 p -113.53 134.86 54.45 Favored 'General case' 0 C--N 1.314 -0.936 0 CA-C-O 120.968 0.413 . . . . 74.24 110.239 175.38 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.498 HG12 ' HB1' ' A' ' 117' ' ' ALA . 7.7 p -132.17 128.51 59.05 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.876 0 CA-C-N 115.814 -0.63 . . . . 64.0 109.89 176.152 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 20.6 tt0 -97.12 112.3 24.14 Favored 'General case' 0 C--N 1.314 -0.942 0 N-CA-C 109.523 -0.547 . . . . 51.21 109.523 178.634 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . 0.4 ' HB ' ' HE2' ' A' ' 103' ' ' TYR . 59.3 t -123.07 123.6 68.29 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.891 0 CA-C-N 115.513 -0.767 . . . . 70.54 110.408 -175.591 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 20.0 t70 68.84 2.66 3.61 Favored 'General case' 0 CA--C 1.533 0.291 0 CA-C-N 115.782 -0.645 . . . . 70.22 111.222 175.132 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 116.35 -17.68 14.16 Favored Glycine 0 N--CA 1.449 -0.465 0 C-N-CA 121.095 -0.574 . . . . 62.42 111.921 -177.502 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' GLN . . . . . 0.423 ' HA ' ' NE2' ' A' ' 101' ' ' GLN . 13.9 mm-40 -97.56 138.66 34.64 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 120.819 0.342 . . . . 73.14 110.8 179.5 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . 0.567 ' HD3' ' HB2' ' A' ' 95' ' ' SER . 3.2 tmmm? -100.42 109.08 21.22 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 121.106 0.479 . . . . 74.1 109.774 -177.338 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' TYR . . . . . 0.424 ' CE1' ' HA ' ' A' ' 121' ' ' ALA . 67.5 m-85 -97.82 129.56 44.79 Favored 'General case' 0 C--N 1.315 -0.931 0 CA-C-N 115.561 -0.745 . . . . 74.23 109.844 -179.038 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.485 ' CD1' ' HB3' ' A' ' 95' ' ' SER . 14.2 tp -106.8 136.29 46.87 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.096 -0.502 . . . . 72.33 110.166 -176.598 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -127.02 129.86 6.69 Favored Glycine 0 N--CA 1.447 -0.582 0 C-N-CA 120.931 -0.652 . . . . 74.03 111.719 -179.323 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . 0.467 ' HA ' ' O ' ' A' ' 92' ' ' PHE . 22.2 mt-30 -124.09 114.74 20.1 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-O 120.814 0.34 . . . . 65.32 110.73 -176.094 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -137.04 -171.8 12.31 Favored Glycine 0 N--CA 1.449 -0.469 0 CA-C-N 115.969 -0.559 . . . . 73.31 112.195 -177.399 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . 0.537 ' HA ' ' O ' ' A' ' 90' ' ' PRO . 36.0 mmt180 -91.69 0.71 57.47 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.993 0.425 . . . . 75.3 111.315 -176.843 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 39.7 m -158.57 165.13 35.25 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 108.999 -0.741 . . . . 74.31 108.999 179.37 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 88.7 mttt -53.37 -43.22 67.63 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-O 121.245 0.545 . . . . 64.32 110.146 177.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 79.6 tttt -61.75 -53.13 60.19 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 114.909 -1.042 . . . . 75.12 111.176 -178.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 24.0 t -58.14 -49.4 81.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.045 -0.525 . . . . 75.12 110.704 -179.599 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -62.89 -37.71 88.02 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.97 -0.559 . . . . 72.14 111.5 -177.794 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 10.0 ttm180 -64.09 -50.53 67.96 Favored 'General case' 0 C--N 1.323 -0.543 0 CA-C-N 115.703 -0.68 . . . . 75.42 110.295 179.371 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 77.2 mt -56.24 -45.15 81.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 115.257 -0.883 . . . . 74.33 111.321 174.099 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -57.91 -45.21 86.85 Favored 'General case' 0 C--O 1.236 0.348 0 CA-C-O 120.783 0.325 . . . . 63.42 111.475 178.163 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . 0.498 ' HB1' HG12 ' A' ' 96' ' ' VAL . . . -61.32 -44.72 96.73 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.099 0.476 . . . . 73.54 110.631 178.776 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . 0.456 ' O ' ' HG ' ' A' ' 122' ' ' LEU . . . -67.82 -36.89 81.18 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.844 -0.616 . . . . 65.43 111.155 -179.616 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -62.67 -37.48 86.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.051 0.453 . . . . 72.25 110.495 178.687 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 29.6 m -64.0 -40.03 95.44 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.603 -0.726 . . . . 74.12 110.313 177.735 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . 0.424 ' HA ' ' CE1' ' A' ' 103' ' ' TYR . . . -64.92 -48.31 74.6 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.887 -0.597 . . . . 63.35 110.822 178.311 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . 0.456 ' HG ' ' O ' ' A' ' 118' ' ' ALA . 61.7 mt -57.78 -46.33 84.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.976 -0.556 . . . . 74.44 111.093 -178.922 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 123' ' ' ARG . . . . . 0.442 HH11 ' HD3' ' A' ' 123' ' ' ARG . 13.6 ptt180 -73.14 -10.91 60.28 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.426 -0.352 . . . . 75.24 111.162 -177.308 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 12.7 t -84.22 -26.3 28.81 Favored 'General case' 0 N--CA 1.449 -0.505 0 N-CA-C 109.647 -0.501 . . . . 72.34 109.647 174.619 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 125' ' ' PHE . . . . . 0.412 ' HB2' HD13 ' A' ' 126' ' ' ILE . 28.9 m-85 -86.26 -60.46 2.0 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.969 -0.559 . . . . 65.12 110.169 178.47 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 126' ' ' ILE . . . . . 0.432 HD13 ' H ' ' A' ' 126' ' ' ILE . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.465 0 CA-C-N 115.766 -0.652 . . . . 61.33 110.934 -173.731 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . 0.585 ' ND2' ' HB ' ' A' ' 66' ' ' VAL . 20.3 p-10 . . . . . 0 CA--C 1.516 -0.329 0 CA-C-O 121.647 0.737 . . . . 63.0 110.743 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 40.8 p -59.81 -23.53 63.41 Favored 'General case' 0 C--N 1.316 -0.876 0 CA-C-N 114.674 -1.148 . . . . 64.01 111.328 179.215 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.585 ' HB ' ' ND2' ' A' ' 64' ' ' ASN . 65.7 t -57.6 -49.19 81.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 115.398 -0.819 . . . . 71.25 110.872 176.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.649 ' HA ' ' OD1' ' A' ' 70' ' ' ASN . . . -66.64 -32.41 73.72 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.079 0.466 . . . . 70.34 110.379 -179.786 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 78.7 mmm -60.71 -41.74 95.85 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.731 -0.668 . . . . 74.3 110.258 175.79 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.465 ' HB3' HD13 ' A' ' 76' ' ' LEU . 7.3 mt -64.14 -33.08 74.96 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.061 -0.518 . . . . 70.32 110.998 176.851 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . 0.649 ' OD1' ' HA ' ' A' ' 67' ' ' ALA . 12.1 m120 -62.45 -33.18 74.32 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.298 0.57 . . . . 74.22 109.949 -177.415 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -83.46 -24.51 31.78 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.173 -0.921 . . . . 74.51 110.759 -176.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 69.5 mt -85.85 -70.41 0.6 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.35 -0.386 . . . . 63.21 111.792 -177.107 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 7.0 mmm180 -133.21 141.27 47.98 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.64 -0.255 . . . . 73.5 110.619 -171.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 2.5 p-80 -94.57 176.88 6.12 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.483 -0.326 . . . . 72.45 110.141 175.657 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 85.76 9.12 78.68 Favored Glycine 0 N--CA 1.448 -0.511 0 C-N-CA 120.777 -0.725 . . . . 63.12 111.534 -177.117 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.8 ' H ' HD23 ' A' ' 76' ' ' LEU . 1.9 pt? -77.1 120.61 22.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.386 0.613 . . . . 72.13 111.152 -178.066 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . 0.701 ' O ' ' HA ' ' A' ' 96' ' ' VAL . 2.9 mt -114.37 111.28 35.27 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-N 115.911 -0.586 . . . . 63.34 110.784 179.52 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . 0.469 ' CE2' HD12 ' A' ' 76' ' ' LEU . 98.8 m-85 -89.88 110.6 21.54 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.836 0.351 . . . . 74.11 110.086 174.525 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 38.8 pttt -132.91 130.14 39.26 Favored 'General case' 0 C--N 1.316 -0.875 0 CA-C-N 116.251 -0.431 . . . . 64.21 110.806 -179.21 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.536 HD21 ' HB2' ' A' ' 83' ' ' GLN . 28.2 tp -72.22 107.13 4.7 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 109.218 -0.66 . . . . 75.25 109.218 175.721 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -91.09 -22.26 20.81 Favored 'General case' 0 C--N 1.319 -0.721 0 C-N-CA 120.479 -0.488 . . . . 74.42 111.253 -176.82 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 49.2 m -151.95 141.73 21.92 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.724 -0.216 . . . . 74.35 110.64 179.35 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . 0.536 ' HB2' HD21 ' A' ' 80' ' ' LEU . 0.5 OUTLIER -135.64 104.82 5.93 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 109.405 -0.591 . . . . 70.45 109.405 177.499 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 3.6 p -135.52 -163.88 1.46 Allowed 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.695 -0.684 . . . . 71.14 110.527 -176.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . 0.409 ' HA3' ' H ' ' A' ' 91' ' ' LEU . . . 104.19 -174.43 22.2 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.898 -0.668 . . . . 25.2 112.99 171.08 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 59.1 Cg_endo -72.25 -178.58 3.35 Favored 'Trans proline' 0 N--CA 1.462 -0.327 0 C-N-CA 122.752 2.302 . . . . 74.02 111.824 177.11 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 13.4 p -95.98 -23.91 4.77 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 C-N-CA 120.535 -0.466 . . . . 62.24 110.553 179.212 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 36.5 p-80 -75.45 -25.54 57.54 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-O 120.801 0.334 . . . . 75.41 110.364 178.036 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . 0.429 ' HB1' ' HD2' ' A' ' 108' ' ' ARG . . . -162.08 75.98 2.2 Favored Pre-proline 0 CA--C 1.518 -0.286 0 CA-C-N 116.151 -0.477 . . . . 65.4 110.168 -178.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' PRO . . . . . 0.577 ' O ' ' HA ' ' A' ' 108' ' ' ARG . 6.6 Cg_exo -64.13 151.23 86.21 Favored 'Trans proline' 0 N--CA 1.453 -0.907 0 C-N-CA 121.86 1.706 . . . . 70.22 111.971 -176.769 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.41 HD11 ' HB3' ' A' ' 106' ' ' GLN . 2.6 tm? -95.17 115.2 27.12 Favored 'General case' 0 N--CA 1.441 -0.917 0 N-CA-C 109.071 -0.715 . . . . 74.25 109.071 -179.537 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.434 ' O ' ' HA ' ' A' ' 106' ' ' GLN . 17.4 m-85 -101.95 132.15 47.93 Favored 'General case' 0 C--N 1.311 -1.072 0 CA-C-N 115.38 -0.827 . . . . 75.21 108.991 179.211 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . 0.443 HG22 HD11 ' A' ' 104' ' ' LEU . 23.7 m -113.63 96.99 6.15 Favored 'General case' 0 N--CA 1.442 -0.867 0 CA-C-O 121.035 0.445 . . . . 62.54 109.988 -177.563 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . 0.574 HG21 ' HA ' ' A' ' 114' ' ' ARG . 7.1 mm -95.07 127.77 46.77 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.862 0 CA-C-N 115.56 -0.746 . . . . 73.34 109.348 179.39 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . 0.529 ' HB2' ' HD3' ' A' ' 102' ' ' LYS . 19.0 p -107.42 121.91 45.54 Favored 'General case' 0 C--N 1.306 -1.306 0 CA-C-N 115.453 -0.794 . . . . 72.44 109.344 177.747 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.701 ' HA ' ' O ' ' A' ' 77' ' ' ILE . 9.6 p -113.6 115.79 50.73 Favored 'Isoleucine or valine' 0 N--CA 1.439 -0.983 0 CA-C-O 121.821 0.82 . . . . 74.15 109.876 175.559 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . 0.538 ' HA ' ' HA ' ' A' ' 102' ' ' LYS . 5.4 tt0 -92.37 110.11 21.51 Favored 'General case' 0 C--N 1.307 -1.27 0 CA-C-N 115.336 -0.847 . . . . 74.41 109.391 -179.82 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 24.6 t -119.22 123.62 71.64 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.684 0 CA-C-N 115.493 -0.776 . . . . 64.32 110.491 -174.444 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 1.2 t70 59.72 17.29 6.2 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.468 -0.787 . . . . 71.11 111.402 178.896 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 104.92 -12.17 49.41 Favored Glycine 0 N--CA 1.449 -0.452 0 C-N-CA 121.007 -0.616 . . . . 43.52 112.685 -179.203 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' GLN . . . . . 0.453 ' HB3' ' CE2' ' A' ' 103' ' ' TYR . 3.4 tp60 -100.44 124.91 46.58 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 109.766 -0.457 . . . . 63.23 109.766 -179.781 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . 0.538 ' HA ' ' HA ' ' A' ' 97' ' ' GLU . 5.2 tmmm? -88.44 109.26 19.88 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 121.119 0.485 . . . . 73.55 110.656 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' TYR . . . . . 0.453 ' CE2' ' HB3' ' A' ' 101' ' ' GLN . 86.2 m-85 -95.55 135.25 37.45 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.482 -0.781 . . . . 73.04 109.563 178.055 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.443 HD11 HG22 ' A' ' 93' ' ' THR . 12.1 tp -105.32 137.03 43.77 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 120.995 0.426 . . . . 63.23 111.031 -175.441 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . 0.524 ' HA3' ' N ' ' A' ' 117' ' ' ALA . . . -131.6 129.26 5.61 Favored Glycine 0 N--CA 1.445 -0.717 0 N-CA-C 111.415 -0.674 . . . . 53.41 111.415 178.055 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . 0.434 ' HA ' ' O ' ' A' ' 92' ' ' PHE . 25.9 mt-30 -120.46 116.13 24.83 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-O 120.911 0.386 . . . . 54.34 110.797 -175.038 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -133.67 -169.22 12.04 Favored Glycine 0 N--CA 1.446 -0.672 0 CA-C-N 115.697 -0.683 . . . . 71.43 111.792 -177.908 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . 0.577 ' HA ' ' O ' ' A' ' 90' ' ' PRO . 11.1 mmt180 -100.5 6.13 44.24 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.275 0.56 . . . . 73.23 110.866 -176.932 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 109' ' ' SER . . . . . 0.418 ' HB2' HG23 ' A' ' 112' ' ' VAL . 16.0 m -159.56 163.71 34.89 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 108.169 -1.049 . . . . 63.52 108.169 176.455 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 86.8 mttt -57.06 -41.15 78.23 Favored 'General case' 0 C--N 1.331 -0.222 0 N-CA-C 109.405 -0.591 . . . . 74.14 109.405 174.89 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 72.1 tttt -55.36 -53.53 55.0 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-N 114.982 -1.008 . . . . 72.31 110.544 177.859 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . 0.71 ' O ' ' HG2' ' A' ' 116' ' ' GLU . 24.6 t -62.17 -55.57 23.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 115.278 -0.874 . . . . 72.51 110.532 -178.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -56.68 -36.65 69.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.863 -0.608 . . . . 71.11 111.859 -175.405 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 114' ' ' ARG . . . . . 0.574 ' HA ' HG21 ' A' ' 94' ' ' ILE . 34.9 ttp180 -61.2 -48.07 83.22 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.956 -0.565 . . . . 74.11 110.227 178.294 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 69.4 mt -62.4 -46.41 96.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 115.452 -0.795 . . . . 72.13 111.402 175.238 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . 0.71 ' HG2' ' O ' ' A' ' 112' ' ' VAL . 12.8 mm-40 -60.08 -36.59 77.72 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.975 0.417 . . . . 75.11 111.34 -179.512 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . 0.614 ' HB1' HG12 ' A' ' 96' ' ' VAL . . . -63.04 -49.48 74.41 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.844 -0.617 . . . . 72.31 110.653 176.757 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . 0.525 ' O ' ' HG ' ' A' ' 122' ' ' LEU . . . -63.7 -31.96 73.29 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.373 -0.83 . . . . 71.52 110.922 179.58 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -60.82 -41.51 95.86 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.159 -0.473 . . . . 41.42 110.818 177.832 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 120' ' ' THR . . . . . 0.758 ' HA ' ' HE ' ' A' ' 123' ' ' ARG . 85.8 m -68.33 -38.62 81.72 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.034 0.445 . . . . 74.34 110.586 177.787 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -57.88 -50.51 73.08 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.937 -0.574 . . . . 72.41 110.859 177.009 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . 0.525 ' HG ' ' O ' ' A' ' 118' ' ' ALA . 75.8 mt -56.41 -52.62 63.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.994 -0.548 . . . . 75.53 111.089 -179.193 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 123' ' ' ARG . . . . . 0.758 ' HE ' ' HA ' ' A' ' 120' ' ' THR . 14.2 ptt180 -70.14 -6.26 32.91 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.266 -0.424 . . . . 65.44 111.862 -175.361 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -94.41 -21.24 19.06 Favored 'General case' 0 N--CA 1.448 -0.563 0 N-CA-C 109.658 -0.497 . . . . 74.12 109.658 175.488 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 28.7 m-85 -85.43 -44.54 12.66 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 61.1 110.455 177.753 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 126' ' ' ILE . . . . . 0.512 HD13 ' O ' ' A' ' 122' ' ' LEU . 0.2 OUTLIER . . . . . 0 C--N 1.323 -0.549 0 CA-C-O 121.131 0.491 . . . . 72.35 110.327 176.826 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 25.3 p-10 . . . . . 0 CA--C 1.511 -0.547 0 N-CA-C 108.924 -0.769 . . . . 70.23 108.924 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 0.416 HG21 ' HB2' ' A' ' 119' ' ' ALA . 41.5 p -64.07 -21.97 66.74 Favored 'General case' 0 C--N 1.311 -1.084 0 CA-C-N 114.991 -1.004 . . . . 74.31 111.436 -175.491 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 38.6 t -59.04 -46.69 91.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 115.653 -0.703 . . . . 73.35 110.471 177.812 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -66.89 -38.72 86.79 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.737 -0.665 . . . . 43.54 110.26 178.403 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' MET . . . . . 0.468 ' HB2' HD11 ' A' ' 122' ' ' LEU . 85.1 mmm -58.64 -44.01 89.93 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.576 -0.738 . . . . 73.53 111.053 178.686 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.742 ' HB3' HD13 ' A' ' 76' ' ' LEU . 1.0 OUTLIER -62.22 -35.64 79.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.98 -0.554 . . . . 73.52 111.245 -179.368 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . 0.445 ' ND2' HD11 ' A' ' 76' ' ' LEU . 22.8 m-80 -70.07 -22.69 63.03 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.284 0.564 . . . . 63.32 110.357 -178.768 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -81.13 -34.47 32.49 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.587 -0.733 . . . . 62.25 110.349 178.191 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 67.8 mt -81.4 -59.95 2.45 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.904 -0.589 . . . . 53.43 111.572 -177.584 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 27.2 mmm180 -129.85 164.98 22.95 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 110.219 -0.289 . . . . 74.0 110.219 -174.254 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 12.6 p-80 -119.78 164.37 16.08 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 109.541 -0.54 . . . . 74.43 109.541 175.217 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 85.79 31.53 20.79 Favored Glycine 0 N--CA 1.442 -0.937 0 C-N-CA 120.38 -0.914 . . . . 70.12 111.08 -177.755 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.823 ' H ' HD23 ' A' ' 76' ' ' LEU . 1.3 pt? -98.06 101.67 13.21 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.203 0.525 . . . . 75.33 110.397 -179.518 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 4.6 mp -102.01 110.8 29.71 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 CA-C-N 116.254 -0.43 . . . . 74.21 110.551 -178.349 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . 0.415 ' CE1' HD12 ' A' ' 76' ' ' LEU . 81.5 m-85 -86.22 129.3 34.89 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.286 -0.416 . . . . 73.15 109.902 176.133 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 13.8 ptpt -139.91 147.21 40.25 Favored 'General case' 0 C--N 1.32 -0.716 0 N-CA-C 110.008 -0.368 . . . . 75.23 110.008 179.224 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.504 HD22 ' HE2' ' A' ' 110' ' ' LYS . 44.9 tp -86.06 104.63 15.83 Favored 'General case' 0 C--N 1.319 -0.738 0 N-CA-C 109.327 -0.62 . . . . 71.15 109.327 175.677 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -90.39 -23.29 21.11 Favored 'General case' 0 C--N 1.325 -0.486 0 C-N-CA 120.187 -0.605 . . . . 74.3 111.71 -176.235 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 48.8 m -153.56 143.87 22.31 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.732 0.301 . . . . 73.51 110.829 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 22.1 tm0? -146.32 111.24 5.29 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 109.406 -0.59 . . . . 72.21 109.406 177.251 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 18.5 p -144.26 146.57 32.73 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.197 -0.456 . . . . 35.0 110.755 -178.404 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 137.05 -179.99 17.41 Favored Glycine 0 N--CA 1.448 -0.525 0 C-N-CA 120.177 -1.011 . . . . 61.42 113.3 173.376 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 40.0 Cg_endo -67.81 -178.2 1.54 Allowed 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 123.208 2.605 . . . . 73.1 112.336 177.467 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 7.6 p -89.33 -30.97 5.25 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-O 120.832 0.348 . . . . 64.53 111.115 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 32.3 p-80 -72.89 -28.08 62.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.048 0.452 . . . . 71.12 110.246 179.373 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -148.68 75.01 10.27 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-N 115.841 -0.618 . . . . 53.15 110.597 178.367 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' PRO . . . . . 0.575 ' O ' ' HA ' ' A' ' 108' ' ' ARG . 1.8 Cg_endo -78.5 134.56 12.54 Favored 'Trans proline' 0 N--CA 1.454 -0.798 0 C-N-CA 122.443 2.095 . . . . 74.53 111.087 177.932 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.457 HD21 ' HB3' ' A' ' 106' ' ' GLN . 3.2 tm? -92.63 113.89 26.3 Favored 'General case' 0 C--N 1.315 -0.909 0 CA-C-O 121.519 0.676 . . . . 60.15 109.997 -178.334 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.497 ' CE1' ' HB2' ' A' ' 90' ' ' PRO . 26.2 m-85 -100.85 134.34 43.97 Favored 'General case' 0 C--N 1.315 -0.911 0 CA-C-N 114.996 -1.002 . . . . 74.15 109.252 177.861 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . 0.493 HG22 HD11 ' A' ' 104' ' ' LEU . 13.8 m -117.54 98.67 6.51 Favored 'General case' 0 N--CA 1.443 -0.823 0 N-CA-C 109.898 -0.408 . . . . 52.43 109.898 -178.297 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . 0.443 HG21 ' HA ' ' A' ' 114' ' ' ARG . 7.5 mm -96.3 128.78 47.18 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.757 0 CA-C-N 115.684 -0.689 . . . . 63.42 109.927 -179.226 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . 0.591 ' HB2' ' HD3' ' A' ' 102' ' ' LYS . 1.9 p -109.4 130.09 55.51 Favored 'General case' 0 C--N 1.311 -1.098 0 CA-C-N 115.664 -0.698 . . . . 73.45 110.382 177.827 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.51 HG12 ' HB1' ' A' ' 117' ' ' ALA . 7.7 p -122.96 124.93 71.43 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.843 0 CA-C-O 121.284 0.564 . . . . 65.33 109.939 176.642 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 7.4 tt0 -97.29 111.72 23.84 Favored 'General case' 0 C--N 1.313 -0.981 0 CA-C-N 115.915 -0.584 . . . . 75.52 109.499 -178.857 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 38.2 t -124.64 125.37 69.92 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 CA-C-N 115.941 -0.572 . . . . 64.14 110.605 -174.88 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 12.9 t70 61.21 7.47 1.66 Allowed 'General case' 0 N--CA 1.47 0.537 0 CA-C-N 115.649 -0.705 . . . . 51.11 111.895 178.676 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 113.55 -13.09 23.06 Favored Glycine 0 N--CA 1.447 -0.573 0 C-N-CA 120.732 -0.747 . . . . 74.13 112.317 -179.045 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' GLN . . . . . 0.53 ' HB3' ' CE2' ' A' ' 103' ' ' TYR . 8.7 tp60 -96.89 133.79 41.07 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 109.205 -0.665 . . . . 64.52 109.205 179.449 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . 0.591 ' HD3' ' HB2' ' A' ' 95' ' ' SER . 0.8 OUTLIER -96.62 106.2 18.43 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 121.205 0.526 . . . . 74.01 109.911 179.765 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' TYR . . . . . 0.53 ' CE2' ' HB3' ' A' ' 101' ' ' GLN . 86.8 m-85 -92.4 151.6 20.16 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.563 -0.744 . . . . 75.54 110.222 -178.799 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.493 HD11 HG22 ' A' ' 93' ' ' THR . 12.2 tp -123.16 139.16 54.35 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 120.881 0.372 . . . . 71.04 111.147 -175.03 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . 0.453 ' HA3' ' N ' ' A' ' 117' ' ' ALA . . . -133.87 133.26 6.81 Favored Glycine 0 N--CA 1.445 -0.743 0 N-CA-C 111.554 -0.618 . . . . 73.34 111.554 177.422 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . 0.467 ' HA ' ' O ' ' A' ' 92' ' ' PHE . 25.5 mt-30 -124.19 124.07 41.65 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 120.951 0.405 . . . . 73.42 110.96 -175.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -144.72 -179.75 21.32 Favored Glycine 0 C--O 1.227 -0.286 0 N-CA-C 111.022 -0.831 . . . . 72.42 111.022 -179.738 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . 0.575 ' HA ' ' O ' ' A' ' 90' ' ' PRO . 38.6 mmt-85 -83.76 4.53 28.55 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-N 117.539 0.669 . . . . 65.44 110.668 -179.048 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 67.1 m -160.83 161.33 31.89 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 109.406 -0.59 . . . . 65.34 109.406 -179.885 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . 0.504 ' HE2' HD22 ' A' ' 80' ' ' LEU . 97.0 mttt -54.02 -41.56 68.14 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-O 120.787 0.327 . . . . 71.32 110.466 177.074 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 81.0 tttt -54.64 -56.24 21.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.557 -0.747 . . . . 75.42 111.098 -179.776 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 48.0 t -65.19 -44.69 95.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 115.917 -0.583 . . . . 72.23 110.935 -178.094 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -61.43 -37.07 82.18 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.179 -0.464 . . . . 74.11 111.065 -178.477 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 114' ' ' ARG . . . . . 0.443 ' HA ' HG21 ' A' ' 94' ' ' ILE . 26.3 ttm180 -64.79 -46.28 82.72 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.968 -0.56 . . . . 72.31 110.296 178.658 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 82.6 mt -61.43 -48.75 87.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 115.567 -0.742 . . . . 74.22 110.882 177.007 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 14.1 mm-40 -59.92 -36.79 77.76 Favored 'General case' 0 C--N 1.321 -0.639 0 O-C-N 122.186 -0.321 . . . . 73.12 111.43 178.86 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . 0.51 ' HB1' HG12 ' A' ' 96' ' ' VAL . . . -61.51 -48.5 80.76 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.123 0.487 . . . . 64.42 110.275 176.038 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . 0.464 ' O ' ' HG ' ' A' ' 122' ' ' LEU . . . -66.47 -36.27 82.34 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.559 -0.746 . . . . 72.32 111.384 179.731 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 119' ' ' ALA . . . . . 0.416 ' HB2' HG21 ' A' ' 65' ' ' THR . . . -61.88 -38.39 88.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 74.04 110.441 178.62 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 22.8 m -64.01 -38.47 91.2 Favored 'General case' 0 N--CA 1.45 -0.436 0 CA-C-N 115.757 -0.656 . . . . 71.25 110.337 178.352 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -67.09 -47.35 71.49 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.084 -0.507 . . . . 72.4 110.716 177.914 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . 0.468 HD11 ' HB2' ' A' ' 68' ' ' MET . 42.6 mt -55.64 -49.65 72.3 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-N 116.179 -0.464 . . . . 60.34 111.089 -179.711 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 12.9 ptm180 -71.77 -13.14 61.62 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.907 -0.588 . . . . 63.15 111.53 -175.315 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 52.5 m -81.16 -29.91 34.56 Favored 'General case' 0 N--CA 1.438 -1.066 0 CA-C-O 121.043 0.449 . . . . 72.32 110.549 174.829 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 20.6 m-85 -81.6 -55.69 4.49 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.805 -0.634 . . . . 70.53 110.063 -178.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 126' ' ' ILE . . . . . 0.418 HD13 ' H ' ' A' ' 126' ' ' ILE . 0.2 OUTLIER . . . . . 0 CA--C 1.514 -0.409 0 CA-C-O 121.333 0.587 . . . . 71.12 110.96 -177.811 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 17.8 p30 . . . . . 0 N--CA 1.453 -0.28 0 CA-C-O 121.81 0.814 . . . . 70.44 110.821 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 0.512 ' HA ' ' HG3' ' A' ' 68' ' ' MET . 23.2 p -66.48 -25.08 66.53 Favored 'General case' 0 C--N 1.312 -1.045 0 CA-C-N 114.697 -1.138 . . . . 60.15 111.14 -179.686 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.468 HG11 ' HD2' ' A' ' 114' ' ' ARG . 4.1 m -66.65 -32.16 56.79 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-N 116.04 -0.527 . . . . 62.24 110.696 -178.931 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -76.0 -33.44 59.7 Favored 'General case' 0 N--CA 1.449 -0.477 0 N-CA-C 109.882 -0.414 . . . . 42.52 109.882 177.557 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' MET . . . . . 0.512 ' HG3' ' HA ' ' A' ' 65' ' ' THR . 21.6 mtp -63.52 -35.29 80.0 Favored 'General case' 0 C--N 1.332 -0.177 0 N-CA-C 109.707 -0.479 . . . . 64.3 109.707 176.697 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.646 ' HB3' HD13 ' A' ' 76' ' ' LEU . 6.2 mt -63.94 -38.88 92.7 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.072 -0.513 . . . . 64.44 110.967 175.649 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 28.6 m-80 -68.73 -20.94 64.41 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-O 121.381 0.61 . . . . 74.21 110.417 -179.253 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 27.7 mm-40 -80.04 -26.58 39.69 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.393 -0.821 . . . . 74.41 110.392 175.527 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.413 ' HG ' ' O ' ' A' ' 68' ' ' MET . 86.1 mt -95.82 -68.51 0.8 Allowed 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.753 -0.658 . . . . 70.12 111.537 -175.135 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 31.0 mmm180 -133.61 137.47 45.45 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.215 -0.448 . . . . 64.33 110.94 -170.618 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 2.1 p-80 -88.21 174.54 8.15 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 110.042 -0.355 . . . . 63.11 110.042 175.446 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 79.52 32.66 37.16 Favored Glycine 0 N--CA 1.446 -0.693 0 C-N-CA 120.326 -0.94 . . . . 45.44 111.676 -178.432 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.814 ' H ' HD23 ' A' ' 76' ' ' LEU . 1.1 pt? -95.22 89.95 5.69 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.469 0.652 . . . . 55.42 110.344 179.842 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . 0.476 ' O ' ' HA ' ' A' ' 96' ' ' VAL . 4.3 mp -92.48 105.94 17.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 116.066 -0.515 . . . . 53.45 110.839 -177.788 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . 0.446 ' CD1' ' HB ' ' A' ' 96' ' ' VAL . 92.1 m-85 -84.9 142.12 29.93 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 109.546 -0.539 . . . . 74.45 109.546 174.462 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 7.3 ptpp? -154.52 141.26 19.04 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 110.238 -0.282 . . . . 53.42 110.238 177.197 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.476 HD22 ' HE2' ' A' ' 110' ' ' LYS . 45.0 tp -80.15 99.39 7.75 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 109.243 -0.651 . . . . 75.11 109.243 175.88 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 2.6 pt-20 -87.79 -33.31 18.69 Favored 'General case' 0 C--N 1.323 -0.578 0 C-N-CA 120.701 -0.399 . . . . 73.14 111.12 -176.55 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . 0.511 ' HB2' ' HB ' ' A' ' 93' ' ' THR . 18.1 m -139.07 142.2 38.18 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.309 -0.405 . . . . 75.3 110.261 -177.08 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 22.3 tm0? -149.07 112.17 4.91 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 109.53 -0.544 . . . . 71.12 109.53 177.003 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 24.4 p -141.53 160.03 41.0 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.124 -0.489 . . . . 63.11 110.794 -177.509 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 124.35 -179.96 15.96 Favored Glycine 0 N--CA 1.45 -0.431 0 C-N-CA 120.607 -0.806 . . . . 75.31 112.473 173.901 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 56.9 Cg_endo -70.94 176.21 7.98 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.934 2.423 . . . . 74.4 111.669 178.099 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 7.3 p -90.77 -19.89 7.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-O 121.097 0.475 . . . . 74.12 110.827 -178.666 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 26.2 p-80 -80.28 -24.23 40.19 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.039 0.447 . . . . 74.41 109.996 177.88 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -155.72 75.14 5.09 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-N 116.068 -0.514 . . . . 65.52 110.648 178.32 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 0.9 OUTLIER -77.91 164.09 27.91 Favored 'Trans proline' 0 N--CA 1.453 -0.871 0 C-N-CA 122.219 1.946 . . . . 64.31 112.042 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.53 HD11 ' HB3' ' A' ' 106' ' ' GLN . 2.6 tm? -118.59 117.07 27.99 Favored 'General case' 0 C--N 1.315 -0.929 0 CA-C-N 116.012 -0.54 . . . . 72.23 109.759 179.679 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.488 ' O ' ' HA ' ' A' ' 106' ' ' GLN . 18.4 m-85 -102.77 134.95 45.32 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-N 115.468 -0.787 . . . . 74.42 109.275 178.431 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . 0.511 ' HB ' ' HB2' ' A' ' 82' ' ' SER . 27.7 m -118.47 107.52 13.9 Favored 'General case' 0 C--N 1.316 -0.864 0 CA-C-O 120.981 0.42 . . . . 72.1 110.631 -178.124 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 7.4 mm -100.54 127.2 53.85 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 CA-C-N 115.65 -0.704 . . . . 63.01 110.114 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . 0.532 ' HB2' ' HD3' ' A' ' 102' ' ' LYS . 15.5 p -107.17 119.44 39.39 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-O 120.977 0.418 . . . . 44.34 110.313 175.684 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.487 HG12 ' HB1' ' A' ' 117' ' ' ALA . 7.8 p -113.75 132.63 62.18 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 N-CA-C 109.667 -0.494 . . . . 71.42 109.667 176.714 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 16.2 tt0 -110.82 112.73 24.78 Favored 'General case' 0 C--N 1.316 -0.867 0 N-CA-C 109.857 -0.423 . . . . 72.44 109.857 -176.828 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . 0.414 ' HB ' ' HE2' ' A' ' 103' ' ' TYR . 40.3 t -125.8 123.29 64.0 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.67 0 CA-C-N 115.771 -0.649 . . . . 72.31 110.535 -175.711 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 57.18 27.79 14.07 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.029 -0.987 . . . . 74.23 111.731 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 93.46 -14.67 64.75 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.789 -0.719 . . . . 72.52 112.556 179.779 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 2.2 mm100 -94.14 121.1 35.28 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.801 0.334 . . . . 72.5 110.162 179.227 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . 0.539 ' NZ ' ' HB3' ' A' ' 102' ' ' LYS . 0.0 OUTLIER -91.19 115.7 28.23 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-N 116.401 -0.363 . . . . 74.11 110.042 178.707 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' TYR . . . . . 0.414 ' HE2' ' HB ' ' A' ' 98' ' ' VAL . 60.1 m-85 -101.08 138.29 38.31 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 115.598 -0.728 . . . . 71.23 109.524 178.678 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 12.6 tp -109.95 141.35 42.83 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 116.563 -0.29 . . . . 74.34 110.505 -176.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -136.62 137.57 9.16 Favored Glycine 0 N--CA 1.45 -0.381 0 N-CA-C 111.404 -0.679 . . . . 73.42 111.404 177.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . 0.53 ' HB3' HD11 ' A' ' 91' ' ' LEU . 15.9 mt-30 -124.9 126.05 44.91 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.829 0.314 . . . . 74.25 110.688 -176.245 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -146.87 -175.41 19.78 Favored Glycine 0 C--O 1.225 -0.416 0 C-N-CA 120.726 -0.749 . . . . 22.51 112.466 -177.559 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 26.0 mmt180 -84.2 -3.05 57.91 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-O 120.908 0.385 . . . . 74.34 111.884 -178.644 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 66.8 m -159.64 166.94 29.62 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 108.749 -0.834 . . . . 72.25 108.749 179.025 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . 0.476 ' HE2' HD22 ' A' ' 80' ' ' LEU . 96.3 mttt -55.0 -39.64 69.29 Favored 'General case' 0 C--N 1.332 -0.184 0 O-C-N 123.483 0.49 . . . . 72.2 110.206 177.102 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 78.3 tttt -60.32 -53.51 56.76 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.312 -0.858 . . . . 52.14 111.273 -179.582 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . 0.502 ' O ' ' HG2' ' A' ' 116' ' ' GLU . 35.0 t -60.22 -49.47 84.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 115.963 -0.562 . . . . 71.52 110.307 -178.829 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -62.64 -35.54 79.93 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.026 -0.534 . . . . 63.31 111.483 -177.887 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 114' ' ' ARG . . . . . 0.468 ' HD2' HG11 ' A' ' 66' ' ' VAL . 26.2 ttm180 -60.87 -47.94 84.06 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.122 -0.49 . . . . 73.05 109.908 176.783 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 64.5 mt -61.67 -47.66 92.28 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.349 0 CA-C-N 115.671 -0.695 . . . . 60.31 111.19 176.768 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . 0.502 ' HG2' ' O ' ' A' ' 112' ' ' VAL . 15.9 mm-40 -57.28 -43.46 83.12 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 121.012 0.434 . . . . 70.53 111.05 178.7 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . 0.487 ' HB1' HG12 ' A' ' 96' ' ' VAL . . . -61.8 -45.04 95.59 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-N 116.159 -0.473 . . . . 63.1 110.801 178.697 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . 0.492 ' O ' ' HG ' ' A' ' 122' ' ' LEU . . . -67.58 -30.6 70.26 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.958 -0.565 . . . . 70.55 111.168 -179.669 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -62.57 -41.44 98.93 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.078 0.465 . . . . 61.35 110.201 177.275 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 37.5 m -66.66 -35.03 79.18 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.664 -0.698 . . . . 73.13 110.533 176.779 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -64.33 -47.6 78.78 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.198 -0.455 . . . . 73.24 110.58 176.888 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . 0.492 ' HG ' ' O ' ' A' ' 118' ' ' ALA . 60.0 mt -57.76 -50.0 74.7 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.162 -0.472 . . . . 61.43 111.188 -179.58 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 123' ' ' ARG . . . . . 0.465 ' HA ' ' O ' ' A' ' 126' ' ' ILE . 16.6 ptm180 -67.21 -14.21 62.69 Favored 'General case' 0 N--CA 1.466 0.35 0 CA-C-N 116.262 -0.426 . . . . 73.25 111.327 -176.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 32.5 t -79.05 -31.9 44.68 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.171 -0.468 . . . . 54.14 110.14 176.103 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 59.5 m-85 -86.16 -49.19 7.93 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.078 -0.51 . . . . 74.12 110.212 -179.34 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 126' ' ' ILE . . . . . 0.465 ' O ' ' HA ' ' A' ' 123' ' ' ARG . 0.2 OUTLIER . . . . . 0 C--N 1.328 -0.354 0 CA-C-N 115.853 -0.612 . . . . 74.15 109.922 179.883 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . 0.426 ' ND2' ' HB ' ' A' ' 66' ' ' VAL . 17.9 p-10 . . . . . 0 C--O 1.237 0.423 0 CA-C-O 122.185 0.993 . . . . 70.33 112.394 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 40.0 p -63.23 -21.75 66.42 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 114.099 -1.41 . . . . 71.12 111.137 178.917 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.426 ' HB ' ' ND2' ' A' ' 64' ' ' ASN . 60.9 t -59.73 -44.17 93.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 115.42 -0.809 . . . . 42.42 110.812 177.412 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.403 ' O ' ' HG3' ' A' ' 71' ' ' GLU . . . -65.54 -40.43 92.89 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.194 0.521 . . . . 72.02 109.864 177.821 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' MET . . . . . 0.442 ' HB2' HD11 ' A' ' 122' ' ' LEU . 76.1 mmm -56.78 -47.32 80.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.295 -0.866 . . . . 64.4 110.761 176.32 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.52 ' HB3' HD13 ' A' ' 76' ' ' LEU . 0.7 OUTLIER -59.39 -37.42 77.93 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.764 -0.653 . . . . 74.23 111.778 -179.421 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 15.0 m-80 -67.5 -21.58 65.49 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.941 0.4 . . . . 73.32 110.893 -178.688 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.403 ' HG3' ' O ' ' A' ' 67' ' ' ALA . 61.9 mt-10 -79.91 -32.68 40.19 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.095 -0.502 . . . . 73.52 110.566 175.453 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 79.8 mt -85.72 -67.36 0.81 Allowed 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.137 -0.483 . . . . 71.12 112.071 -174.347 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . 0.401 HH11 ' HD3' ' A' ' 73' ' ' ARG . 6.8 tpp180 -136.59 108.88 7.29 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.339 -0.392 . . . . 60.15 110.348 -175.112 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' HIS . . . . . 0.521 ' HA ' HD22 ' A' ' 76' ' ' LEU . 2.8 p-80 -81.92 170.68 15.34 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.973 -0.558 . . . . 74.45 109.759 176.196 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 90.72 23.75 29.83 Favored Glycine 0 N--CA 1.443 -0.891 0 N-CA-C 109.956 -1.258 . . . . 64.4 109.956 -169.232 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.906 ' H ' HD23 ' A' ' 76' ' ' LEU . 1.8 pt? -96.88 107.98 20.59 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 114.604 -0.798 . . . . 74.12 110.283 -178.368 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 4.7 mp -103.36 110.18 29.09 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.744 0 CA-C-N 116.144 -0.48 . . . . 73.04 110.503 -179.133 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . 0.461 ' CD2' ' HB ' ' A' ' 96' ' ' VAL . 93.8 m-85 -85.0 124.77 32.08 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.24 -0.436 . . . . 71.13 109.836 176.237 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . 0.405 ' HG2' ' O ' ' A' ' 95' ' ' SER . 13.7 ptpt -131.98 131.5 42.63 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 120.917 0.389 . . . . 71.1 110.328 -178.438 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 50.1 tp -79.43 101.02 7.94 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 109.027 -0.731 . . . . 64.4 109.027 176.492 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -89.24 -31.4 17.91 Favored 'General case' 0 C--N 1.322 -0.629 0 C-N-CA 120.755 -0.378 . . . . 74.31 111.799 -173.799 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 32.5 m -145.84 130.96 18.36 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 120.852 0.358 . . . . 65.13 110.865 -176.423 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 21.6 tm0? -132.99 108.69 9.05 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 109.531 -0.544 . . . . 74.33 109.531 174.287 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 18.7 p -142.92 141.53 31.5 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.068 -0.514 . . . . 62.1 110.595 -178.079 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 139.63 160.93 8.52 Favored Glycine 0 N--CA 1.445 -0.714 0 C-N-CA 120.824 -0.703 . . . . 71.11 111.919 177.36 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 33.1 Cg_endo -64.78 170.26 10.32 Favored 'Trans proline' 0 C--O 1.225 -0.143 0 C-N-CA 123.136 2.557 . . . . 73.1 112.22 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 12.6 p -71.41 -25.93 25.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-O 120.765 0.316 . . . . 72.24 111.156 -178.615 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 34.0 p-80 -83.02 -26.2 31.43 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 120.734 0.302 . . . . 74.21 110.833 -178.882 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -148.69 72.79 10.6 Favored Pre-proline 0 C--N 1.326 -0.44 0 CA-C-O 120.837 0.351 . . . . 73.05 110.963 179.302 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' PRO . . . . . 0.482 ' O ' ' HA ' ' A' ' 108' ' ' ARG . 66.2 Cg_endo -82.59 144.93 12.85 Favored 'Trans proline' 0 N--CA 1.456 -0.73 0 C-N-CA 122.333 2.022 . . . . 74.13 112.177 178.531 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -107.48 118.15 35.97 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.86 -0.609 . . . . 64.34 109.551 179.767 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.429 ' O ' ' HA ' ' A' ' 106' ' ' GLN . 46.0 m-85 -103.89 133.21 49.25 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 115.361 -0.836 . . . . 72.11 109.277 178.411 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . 0.42 HG22 HD11 ' A' ' 104' ' ' LEU . 18.4 m -119.02 105.21 11.21 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-O 120.904 0.383 . . . . 53.32 110.639 -177.853 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 5.9 mm -104.21 125.23 58.99 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.666 0 CA-C-N 115.716 -0.675 . . . . 54.13 109.585 178.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . 0.483 ' HB2' ' HD3' ' A' ' 102' ' ' LYS . 0.3 OUTLIER -105.12 128.7 53.49 Favored 'General case' 0 C--N 1.314 -0.954 0 N-CA-C 109.955 -0.387 . . . . 72.3 109.955 174.539 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.561 HG12 ' HB1' ' A' ' 117' ' ' ALA . 11.8 p -116.29 128.23 73.67 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.844 0 CA-C-O 121.416 0.627 . . . . 63.51 110.004 177.462 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 18.5 tt0 -100.36 112.28 24.61 Favored 'General case' 0 C--N 1.313 -1.015 0 CA-C-N 115.642 -0.708 . . . . 63.43 109.277 179.488 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . 0.414 ' C ' ' H ' ' A' ' 100' ' ' GLY . 15.3 t -124.37 123.43 66.31 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.772 0 CA-C-N 115.537 -0.756 . . . . 53.24 110.041 -174.193 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 18.2 t70 66.73 -9.79 0.33 Allowed 'General case' 0 N--CA 1.474 0.771 0 CA-C-O 121.345 0.593 . . . . 74.42 111.918 -178.389 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' GLY . . . . . 0.414 ' H ' ' C ' ' A' ' 98' ' ' VAL . . . 118.22 -2.3 16.52 Favored Glycine 0 C--N 1.317 -0.504 0 N-CA-C 111.427 -0.669 . . . . 52.35 111.427 -173.73 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' GLN . . . . . 0.489 ' HB3' ' CE2' ' A' ' 103' ' ' TYR . 4.4 tp60 -99.48 135.6 40.65 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 108.829 -0.804 . . . . 64.53 108.829 175.277 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . 0.483 ' HD3' ' HB2' ' A' ' 95' ' ' SER . 0.0 OUTLIER -102.63 113.92 27.7 Favored 'General case' 0 C--N 1.315 -0.893 0 CA-C-O 121.199 0.523 . . . . 75.43 110.289 -177.404 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' TYR . . . . . 0.489 ' CE2' ' HB3' ' A' ' 101' ' ' GLN . 63.4 m-85 -104.94 139.32 39.83 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.573 -0.739 . . . . 74.22 109.977 178.786 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.42 HD11 HG22 ' A' ' 93' ' ' THR . 13.3 tp -108.1 143.03 37.39 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.824 0.345 . . . . 71.32 110.869 -176.313 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -132.52 128.35 5.16 Favored Glycine 0 N--CA 1.447 -0.615 0 N-CA-C 111.375 -0.69 . . . . 20.02 111.375 176.785 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . 0.429 ' HA ' ' O ' ' A' ' 92' ' ' PHE . 24.5 mt-30 -124.14 113.36 18.24 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 121.122 0.487 . . . . 65.1 110.666 -176.093 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -135.47 -177.3 14.87 Favored Glycine 0 N--CA 1.45 -0.422 0 CA-C-N 115.784 -0.644 . . . . 55.01 112.013 -177.148 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . 0.482 ' HA ' ' O ' ' A' ' 90' ' ' PRO . 11.5 mmt85 -92.38 6.71 45.92 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.469 0.652 . . . . 75.5 110.743 -176.806 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 109' ' ' SER . . . . . 0.499 ' HB2' HG23 ' A' ' 112' ' ' VAL . 15.9 m -156.44 162.29 40.01 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 108.671 -0.863 . . . . 64.14 108.671 178.829 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -61.98 -37.58 85.31 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.13 0.49 . . . . 70.3 110.458 -179.407 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 79.9 tttt -66.67 -49.93 64.53 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.621 -0.718 . . . . 74.41 110.446 179.552 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . 0.499 HG23 ' HB2' ' A' ' 109' ' ' SER . 46.7 t -54.87 -51.34 53.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 115.817 -0.629 . . . . 71.21 110.629 177.497 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -59.29 -41.48 89.08 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.873 -0.603 . . . . 71.43 111.337 -178.215 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 11.2 ttm180 -61.57 -42.89 99.51 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.154 -0.475 . . . . 72.33 110.47 178.222 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 65.2 mt -66.91 -44.34 88.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-N 115.819 -0.628 . . . . 74.14 111.563 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . 0.406 ' HG2' ' O ' ' A' ' 112' ' ' VAL . 7.3 mm-40 -60.21 -37.35 80.01 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.79 0.328 . . . . 75.03 111.16 178.136 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . 0.561 ' HB1' HG12 ' A' ' 96' ' ' VAL . . . -64.53 -43.19 94.8 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.174 0.512 . . . . 65.31 110.367 177.422 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . 0.482 ' O ' ' HG ' ' A' ' 122' ' ' LEU . . . -69.67 -35.55 75.25 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.759 -0.655 . . . . 73.52 111.343 -179.693 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -61.62 -40.83 96.25 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.115 0.483 . . . . 74.12 110.477 179.562 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 120' ' ' THR . . . . . 0.446 ' O ' ' HG2' ' A' ' 123' ' ' ARG . 32.0 m -63.86 -38.64 91.86 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.548 -0.751 . . . . 73.54 110.686 177.448 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -65.68 -47.92 73.81 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.244 -0.435 . . . . 54.12 110.932 177.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . 0.482 ' HG ' ' O ' ' A' ' 118' ' ' ALA . 61.7 mt -55.18 -49.89 70.75 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.299 -0.409 . . . . 73.33 111.196 -179.226 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 123' ' ' ARG . . . . . 0.446 ' HG2' ' O ' ' A' ' 120' ' ' THR . 25.1 ptt180 -66.92 -19.11 65.67 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.134 -0.484 . . . . 74.42 110.977 -176.016 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 74.1 m -80.67 -25.09 38.46 Favored 'General case' 0 N--CA 1.438 -1.026 0 CA-C-N 116.062 -0.517 . . . . 71.44 111.032 178.031 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 18.6 m-85 -87.49 -51.17 6.07 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 109.534 -0.543 . . . . 74.34 109.534 177.508 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 126' ' ' ILE . . . . . 0.468 HD13 ' H ' ' A' ' 126' ' ' ILE . 0.2 OUTLIER . . . . . 0 C--N 1.328 -0.346 0 CA-C-N 116.039 -0.528 . . . . 52.23 109.745 176.349 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 50.1 t-20 . . . . . 0 CA--C 1.522 -0.116 0 CA-C-O 121.259 0.552 . . . . 60.41 110.435 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 43.1 p -71.41 -27.98 63.68 Favored 'General case' 0 C--N 1.315 -0.893 0 CA-C-N 115.436 -0.802 . . . . 74.43 111.449 -178.282 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 58.2 t -64.96 -42.11 93.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-O 121.39 0.614 . . . . 73.21 109.578 177.396 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.58 ' O ' ' HG3' ' A' ' 71' ' ' GLU . . . -63.17 -40.03 96.35 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.224 -0.898 . . . . 42.25 109.88 176.193 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 58.4 mmm -60.46 -46.08 91.36 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.591 -0.731 . . . . 72.44 110.786 177.468 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.584 ' HB3' HD13 ' A' ' 76' ' ' LEU . 0.9 OUTLIER -60.62 -38.03 83.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.073 -0.512 . . . . 74.02 111.491 -178.054 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 25.0 m-80 -65.5 -28.21 69.03 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.068 0.461 . . . . 55.31 110.445 179.862 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.58 ' HG3' ' O ' ' A' ' 67' ' ' ALA . 30.3 mt-10 -77.33 -41.46 40.41 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.858 -0.61 . . . . 75.22 110.336 177.881 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 75.8 mt -68.13 -59.49 3.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.923 -0.58 . . . . 72.43 111.573 -178.49 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 24.6 mmm180 -131.1 170.77 14.08 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.149 0.5 . . . . 74.24 111.409 -174.178 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 7.6 p-80 -122.76 155.02 37.37 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.612 -0.722 . . . . 72.43 109.167 173.55 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 92.72 36.91 5.94 Favored Glycine 0 N--CA 1.444 -0.781 0 C-N-CA 120.199 -1.0 . . . . 64.53 111.094 -177.331 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.676 ' H ' HD23 ' A' ' 76' ' ' LEU . 1.1 pt? -106.71 106.17 16.56 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.341 0.591 . . . . 63.3 110.088 179.36 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . 0.489 ' O ' ' HA ' ' A' ' 96' ' ' VAL . 4.8 mp -105.78 115.82 48.3 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 CA-C-N 115.788 -0.642 . . . . 72.24 110.402 -178.011 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . 0.505 ' CE1' HD12 ' A' ' 76' ' ' LEU . 87.4 m-85 -95.56 125.34 40.09 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.396 -0.366 . . . . 75.13 110.15 178.697 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 17.2 ptpt -136.85 144.22 43.48 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 120.719 0.295 . . . . 72.31 110.308 179.463 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.495 HD22 ' HE2' ' A' ' 110' ' ' LYS . 33.8 tp -82.76 111.46 18.71 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 109.348 -0.612 . . . . 71.42 109.348 177.572 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -94.8 -24.33 17.11 Favored 'General case' 0 C--N 1.323 -0.55 0 C-N-CA 120.273 -0.571 . . . . 73.31 111.48 -179.348 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 69.5 m -154.99 145.68 22.36 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.919 0.39 . . . . 73.41 111.526 -178.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . 0.402 HE21 ' HB2' ' A' ' 90' ' ' PRO . 22.7 tm0? -142.41 115.27 8.7 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 108.809 -0.811 . . . . 54.32 108.809 174.577 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 20.8 p -148.1 140.67 24.5 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.244 -0.435 . . . . 65.23 110.855 -174.829 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 144.03 -178.98 21.7 Favored Glycine 0 N--CA 1.449 -0.481 0 C-N-CA 120.156 -1.021 . . . . 62.14 112.663 174.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 55.8 Cg_endo -69.67 167.12 25.23 Favored 'Trans proline' 0 C--O 1.223 -0.261 0 C-N-CA 122.944 2.43 . . . . 63.35 111.656 178.636 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 10.1 p -78.45 -25.15 13.67 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 C-N-CA 120.84 -0.344 . . . . 75.41 111.022 -178.489 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 33.3 p-80 -79.33 -25.9 42.25 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-O 120.847 0.356 . . . . 75.23 110.85 -178.884 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -151.74 69.04 7.77 Favored Pre-proline 0 C--N 1.327 -0.384 0 CA-C-N 116.314 -0.403 . . . . 70.4 110.671 178.436 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' PRO . . . . . 0.615 ' O ' ' HA ' ' A' ' 108' ' ' ARG . 46.4 Cg_endo -71.6 143.99 43.58 Favored 'Trans proline' 0 N--CA 1.461 -0.406 0 C-N-CA 122.356 2.038 . . . . 54.44 111.769 -178.368 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.401 HD11 ' HB3' ' A' ' 106' ' ' GLN . 21.3 tp -100.82 130.73 46.88 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 121.388 0.613 . . . . 72.33 110.458 179.647 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.58 ' O ' ' HA ' ' A' ' 106' ' ' GLN . 11.5 m-85 -111.77 141.19 45.71 Favored 'General case' 0 C--N 1.313 -0.997 0 CA-C-N 115.107 -0.951 . . . . 74.11 109.009 179.718 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 12.9 m -122.77 101.6 7.55 Favored 'General case' 0 C--N 1.316 -0.853 0 CA-C-O 121.246 0.546 . . . . 62.43 110.202 -177.634 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 6.5 mm -98.75 129.66 48.77 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.713 0 CA-C-N 115.284 -0.871 . . . . 64.23 109.743 -179.034 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . 0.587 ' HB2' ' HD3' ' A' ' 102' ' ' LYS . 3.2 p -107.59 126.03 52.05 Favored 'General case' 0 C--N 1.311 -1.078 0 CA-C-N 115.662 -0.699 . . . . 73.53 109.733 176.629 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.512 HG12 ' HB1' ' A' ' 117' ' ' ALA . 8.8 p -123.24 129.5 74.86 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.944 0 CA-C-O 121.116 0.484 . . . . 61.21 110.287 177.415 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 24.7 tt0 -102.39 113.76 27.36 Favored 'General case' 0 C--N 1.314 -0.971 0 N-CA-C 109.094 -0.706 . . . . 73.2 109.094 176.125 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 24.7 t -120.91 120.67 63.02 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.81 0 CA-C-N 115.539 -0.755 . . . . 73.05 110.034 -176.819 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 28.7 t70 66.14 0.44 1.65 Allowed 'General case' 0 N--CA 1.467 0.415 0 O-C-N 123.745 0.653 . . . . 74.15 111.892 176.126 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 117.58 -0.13 18.15 Favored Glycine 0 N--CA 1.448 -0.501 0 C-N-CA 121.0 -0.619 . . . . 72.43 112.081 -177.527 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' GLN . . . . . 0.433 ' HA ' ' NE2' ' A' ' 101' ' ' GLN . 13.4 mm-40 -110.25 131.45 55.05 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.796 0.331 . . . . 75.43 110.993 176.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . 0.587 ' HD3' ' HB2' ' A' ' 95' ' ' SER . 0.2 OUTLIER -100.39 106.35 17.94 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.198 0.523 . . . . 62.13 110.408 -177.178 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 47.7 m-85 -95.21 153.25 17.75 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.655 -0.702 . . . . 74.15 109.592 179.663 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 13.3 tp -119.85 136.57 54.43 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 120.797 0.332 . . . . 64.34 110.625 -178.83 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -131.92 134.74 7.79 Favored Glycine 0 N--CA 1.448 -0.562 0 C-N-CA 121.027 -0.606 . . . . 72.14 111.742 179.809 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . 0.58 ' HA ' ' O ' ' A' ' 92' ' ' PHE . 31.4 mt-30 -128.77 123.89 34.09 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 120.819 0.342 . . . . 73.4 110.754 -176.659 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -147.32 178.75 24.73 Favored Glycine 0 N--CA 1.449 -0.469 0 N-CA-C 111.447 -0.661 . . . . 74.14 111.447 -179.451 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . 0.615 ' HA ' ' O ' ' A' ' 90' ' ' PRO . 27.9 mmt180 -81.91 8.12 11.23 Favored 'General case' 0 N--CA 1.466 0.374 0 CA-C-N 117.205 0.502 . . . . 63.21 112.029 -176.269 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 58.1 m -165.04 164.0 20.55 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 109.181 -0.674 . . . . 60.21 109.181 178.869 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . 0.495 ' HE2' HD22 ' A' ' 80' ' ' LEU . 84.0 mttt -57.75 -34.51 69.62 Favored 'General case' 0 C--N 1.333 -0.148 0 O-C-N 123.194 0.309 . . . . 71.24 110.299 177.396 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 60.3 tttt -56.22 -60.06 4.04 Favored 'General case' 0 N--CA 1.454 -0.265 0 CA-C-N 115.884 -0.598 . . . . 61.43 110.572 176.613 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . 0.424 ' O ' ' HG2' ' A' ' 116' ' ' GLU . 23.7 t -64.55 -44.52 96.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 115.326 -0.852 . . . . 71.23 110.895 -175.682 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -59.21 -41.16 87.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.371 -0.377 . . . . 62.41 111.012 -178.793 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 17.7 ttm180 -64.45 -43.42 94.31 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.049 -0.523 . . . . 73.22 110.033 177.473 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 75.0 mt -62.85 -48.63 87.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 115.485 -0.78 . . . . 72.14 111.458 178.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . 0.424 ' HG2' ' O ' ' A' ' 112' ' ' VAL . 8.8 mm-40 -57.72 -41.31 81.51 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.746 0.308 . . . . 74.43 111.127 179.553 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . 0.512 ' HB1' HG12 ' A' ' 96' ' ' VAL . . . -62.21 -45.47 93.2 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.135 0.493 . . . . 64.14 110.52 178.362 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . 0.586 ' O ' ' HG ' ' A' ' 122' ' ' LEU . . . -67.08 -36.52 82.18 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.537 -0.756 . . . . 71.11 111.287 179.834 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -61.4 -41.49 97.22 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.074 0.464 . . . . 51.42 110.595 179.676 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 80.4 m -64.55 -40.36 95.44 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.696 -0.684 . . . . 72.03 110.584 177.373 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -61.35 -45.52 94.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.822 -0.626 . . . . 73.14 110.759 178.498 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . 0.586 ' HG ' ' O ' ' A' ' 118' ' ' ALA . 64.0 mt -53.45 -50.33 65.5 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-N 116.418 -0.355 . . . . 74.42 111.19 -178.587 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 13.1 ptt180 -75.09 -12.2 60.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.979 0.418 . . . . 74.33 111.079 -175.333 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 8.1 t -79.66 -26.67 40.98 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.135 -0.484 . . . . 71.3 109.768 177.686 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 125' ' ' PHE . . . . . 0.435 ' HE2' HD21 ' A' ' 69' ' ' LEU . 66.5 m-85 -83.72 -54.26 5.04 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.075 -0.511 . . . . 71.52 109.896 176.706 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 126' ' ' ILE . . . . . 0.431 ' H ' HD13 ' A' ' 126' ' ' ILE . 0.2 OUTLIER . . . . . 0 C--N 1.327 -0.402 0 CA-C-O 121.23 0.538 . . . . 72.12 110.451 178.658 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 22.5 p-10 . . . . . 0 CA--C 1.515 -0.372 0 CA-C-O 122.124 0.964 . . . . 63.3 111.55 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 39.9 p -61.1 -25.93 67.31 Favored 'General case' 0 C--N 1.314 -0.957 0 CA-C-N 113.824 -1.535 . . . . 62.33 111.551 -176.27 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 46.3 t -59.47 -46.78 92.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 115.519 -0.764 . . . . 74.54 110.462 177.501 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -67.22 -36.8 82.44 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.048 0.451 . . . . 55.1 110.191 178.24 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 75.6 mmm -59.47 -40.93 88.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.602 -0.726 . . . . 73.14 110.23 177.212 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.608 ' HB3' HD13 ' A' ' 76' ' ' LEU . 6.2 mt -63.53 -32.52 74.0 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.078 -0.51 . . . . 74.01 111.364 178.093 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . 0.452 ' ND2' HD11 ' A' ' 76' ' ' LEU . 0.9 OUTLIER -66.5 -27.51 67.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.345 0.593 . . . . 65.22 109.857 -179.04 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 51.9 mm-40 -80.94 -24.62 38.02 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 114.921 -1.036 . . . . 74.52 111.012 179.52 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 90.3 mt -90.49 -63.32 1.29 Allowed 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.079 -0.509 . . . . 63.55 111.875 -178.167 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 22.9 mmm180 -139.93 143.73 36.75 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.035 0.445 . . . . 74.05 111.922 -173.329 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 3.3 p-80 -90.92 162.32 14.81 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 108.815 -0.809 . . . . 73.1 108.815 169.396 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 87.89 40.1 6.79 Favored Glycine 0 N--CA 1.442 -0.909 0 C-N-CA 120.148 -1.025 . . . . 72.02 110.754 -176.806 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.653 ' H ' HD23 ' A' ' 76' ' ' LEU . 1.1 pt? -106.58 100.71 10.21 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.182 0.515 . . . . 72.43 109.948 178.516 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . 0.534 ' O ' ' HA ' ' A' ' 96' ' ' VAL . 4.8 mp -100.93 110.5 28.01 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.7 0 CA-C-N 116.113 -0.494 . . . . 65.44 110.706 -176.805 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . 0.508 ' CD1' ' HB ' ' A' ' 96' ' ' VAL . 92.6 m-85 -89.14 121.44 31.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.417 -0.356 . . . . 70.35 110.043 176.59 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 18.3 ptpt -133.86 138.93 45.9 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-O 120.768 0.318 . . . . 73.44 110.611 178.644 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.524 HD21 ' HB2' ' A' ' 83' ' ' GLN . 43.3 tp -79.15 103.8 9.33 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 108.89 -0.781 . . . . 74.34 108.89 174.853 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -86.48 -28.04 23.7 Favored 'General case' 0 C--N 1.324 -0.529 0 C-N-CA 120.113 -0.635 . . . . 74.32 111.603 -175.354 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 46.7 m -154.71 140.36 17.98 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.733 0.302 . . . . 55.45 110.453 177.86 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . 0.524 ' HB2' HD21 ' A' ' 80' ' ' LEU . 23.6 tm0? -130.62 113.87 14.74 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 109.035 -0.728 . . . . 60.45 109.035 174.65 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 18.9 p -140.06 150.11 43.96 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.106 -0.497 . . . . 64.34 110.98 -175.308 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 131.36 177.92 15.17 Favored Glycine 0 N--CA 1.445 -0.708 0 C-N-CA 120.635 -0.793 . . . . 64.14 112.049 175.444 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 44.5 Cg_endo -66.85 167.44 19.55 Favored 'Trans proline' 0 N--CA 1.462 -0.325 0 C-N-CA 122.603 2.202 . . . . 62.02 111.624 178.492 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 35.2 m -84.99 -14.81 11.04 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 C-N-CA 121.004 -0.278 . . . . 64.5 111.68 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 39.6 p-80 -84.34 -28.53 26.98 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.969 0.414 . . . . 64.42 110.306 177.889 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -150.61 76.0 8.38 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-N 115.929 -0.578 . . . . 72.02 110.118 177.744 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' PRO . . . . . 0.402 ' HB2' ' CE1' ' A' ' 92' ' ' PHE . 5.1 Cg_exo -75.91 154.56 38.39 Favored 'Trans proline' 0 N--CA 1.457 -0.668 0 C-N-CA 122.581 2.187 . . . . 52.52 112.35 -178.048 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.479 HD11 ' HB3' ' A' ' 106' ' ' GLN . 2.9 tm? -110.75 116.84 31.99 Favored 'General case' 0 N--CA 1.443 -0.793 0 CA-C-O 121.409 0.623 . . . . 74.24 109.47 177.646 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.402 ' CE1' ' HB2' ' A' ' 90' ' ' PRO . 18.2 m-85 -101.41 132.09 47.18 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 115.488 -0.778 . . . . 74.35 109.066 179.582 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . 0.458 HG22 HD11 ' A' ' 104' ' ' LEU . 14.6 m -114.2 100.9 8.71 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 121.092 0.472 . . . . 73.52 109.905 -176.935 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . 0.531 HG21 ' HA ' ' A' ' 114' ' ' ARG . 5.5 mm -96.67 126.76 49.29 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.698 0 CA-C-N 115.507 -0.77 . . . . 72.31 109.82 -179.323 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . 0.572 ' HB2' ' HD3' ' A' ' 102' ' ' LYS . 1.8 p -106.73 124.2 49.26 Favored 'General case' 0 N--CA 1.437 -1.114 0 CA-C-N 115.523 -0.762 . . . . 61.43 109.657 176.29 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.534 ' HA ' ' O ' ' A' ' 77' ' ' ILE . 7.3 p -115.93 120.65 65.45 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.851 0 CA-C-O 121.582 0.706 . . . . 65.31 110.283 177.139 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . 0.466 ' HA ' ' HA ' ' A' ' 102' ' ' LYS . 15.9 tt0 -97.34 115.04 26.94 Favored 'General case' 0 C--N 1.308 -1.23 0 N-CA-C 108.669 -0.863 . . . . 75.14 108.669 177.407 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 13.2 t -123.02 118.6 55.35 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 CA-C-N 115.886 -0.597 . . . . 53.42 109.938 -177.75 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 25.1 t70 66.26 16.89 10.59 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.537 0.684 . . . . 63.3 110.455 175.114 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 109.81 -26.28 14.65 Favored Glycine 0 N--CA 1.451 -0.338 0 CA-C-N 115.821 -0.627 . . . . 52.15 112.389 -179.047 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' GLN . . . . . 0.434 ' HB3' ' CE2' ' A' ' 103' ' ' TYR . 0.0 OUTLIER -88.16 128.92 35.45 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 110.186 -0.301 . . . . 61.43 110.186 -177.266 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . 0.572 ' HD3' ' HB2' ' A' ' 95' ' ' SER . 2.5 tmmm? -96.8 118.35 33.04 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.89 0.376 . . . . 74.04 110.147 179.65 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 103' ' ' TYR . . . . . 0.48 ' CD1' ' HA ' ' A' ' 121' ' ' ALA . 57.6 m-85 -106.29 142.06 36.59 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.634 -0.712 . . . . 71.0 110.0 178.441 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.458 HD11 HG22 ' A' ' 93' ' ' THR . 12.3 tp -108.43 144.67 35.72 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 120.782 0.325 . . . . 71.41 111.071 -177.236 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . 0.5 ' HA3' ' N ' ' A' ' 117' ' ' ALA . . . -142.28 138.56 8.58 Favored Glycine 0 N--CA 1.448 -0.541 0 N-CA-C 111.474 -0.651 . . . . 63.32 111.474 176.938 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . 0.479 ' HB3' HD11 ' A' ' 91' ' ' LEU . 17.9 mt-30 -124.74 123.08 39.22 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 120.827 0.346 . . . . 64.3 110.968 -174.188 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -140.08 -179.52 17.95 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.916 -0.659 . . . . 73.33 112.019 -177.768 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 16.5 mmt180 -86.71 0.03 55.42 Favored 'General case' 0 N--CA 1.466 0.37 0 CA-C-O 121.247 0.546 . . . . 73.25 110.563 -177.323 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 67.0 m -161.25 164.22 30.46 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 108.653 -0.869 . . . . 71.02 108.653 -179.744 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . 0.442 ' HE2' HD22 ' A' ' 80' ' ' LEU . 86.5 mttt -54.99 -43.31 73.46 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-O 120.933 0.397 . . . . 65.4 110.822 179.23 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 81.5 tttt -60.31 -51.43 69.56 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.648 -0.705 . . . . 71.41 110.981 -177.748 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . 0.6 ' O ' ' HG2' ' A' ' 116' ' ' GLU . 30.3 t -57.99 -53.12 49.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 115.377 -0.828 . . . . 61.01 110.633 177.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -58.97 -36.6 75.12 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.988 -0.551 . . . . 72.11 111.738 -176.815 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 114' ' ' ARG . . . . . 0.531 ' HA ' HG21 ' A' ' 94' ' ' ILE . 39.7 ttm180 -59.86 -45.47 92.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.135 -0.484 . . . . 74.42 110.449 178.273 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 52.5 mt -65.6 -45.83 91.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 115.757 -0.656 . . . . 73.41 111.227 176.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . 0.6 ' HG2' ' O ' ' A' ' 112' ' ' VAL . 7.0 mm-40 -58.69 -38.2 77.74 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.056 0.455 . . . . 62.43 110.952 178.762 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . 0.522 ' HB1' HG12 ' A' ' 96' ' ' VAL . . . -63.87 -46.67 83.93 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.81 -0.632 . . . . 45.23 111.095 178.397 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . 0.563 ' O ' ' HG ' ' A' ' 122' ' ' LEU . . . -66.46 -27.24 67.65 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.922 -0.581 . . . . 70.24 111.082 -179.386 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -61.31 -45.39 94.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.06 -0.518 . . . . 73.43 110.878 177.614 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 120' ' ' THR . . . . . 0.418 ' O ' ' HG2' ' A' ' 123' ' ' ARG . 35.8 m -62.77 -40.22 96.62 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.985 -0.552 . . . . 64.54 110.266 176.628 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . 0.48 ' HA ' ' CD1' ' A' ' 103' ' ' TYR . . . -57.21 -52.11 66.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.652 -0.704 . . . . 51.11 111.103 179.501 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . 0.563 ' HG ' ' O ' ' A' ' 118' ' ' ALA . 64.4 mt -52.17 -50.58 61.56 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.879 -0.6 . . . . 51.04 111.735 -176.161 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 123' ' ' ARG . . . . . 0.418 ' HG2' ' O ' ' A' ' 120' ' ' THR . 11.6 ptm180 -66.74 -20.88 66.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 74.44 111.48 -174.193 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 8.5 t -78.98 -29.26 43.73 Favored 'General case' 0 C--N 1.327 -0.397 0 C-N-CA 120.928 -0.309 . . . . 71.25 110.579 178.207 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 79.8 m-85 -81.47 -61.57 1.9 Allowed 'General case' 0 CA--C 1.516 -0.338 0 CA-C-O 120.941 0.4 . . . . 72.04 110.374 -179.704 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 126' ' ' ILE . . . . . 0.528 HD13 ' H ' ' A' ' 126' ' ' ILE . 0.3 OUTLIER . . . . . 0 C--N 1.32 -0.68 0 CA-C-N 115.942 -0.572 . . . . 71.42 109.581 179.583 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . 0.601 ' HB3' HG12 ' A' ' 115' ' ' ILE . 0.0 OUTLIER . . . . . 0 C--O 1.239 0.533 0 CA-C-O 121.684 0.754 . . . . 60.41 111.074 . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 0.417 HG22 HD12 ' A' ' 122' ' ' LEU . 12.4 p -67.42 -13.29 61.89 Favored 'General case' 0 C--N 1.316 -0.883 0 CA-C-N 114.498 -1.228 . . . . 72.41 110.734 177.421 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 86.3 t -67.52 -48.21 77.78 Favored 'Isoleucine or valine' 0 C--O 1.233 0.196 0 CA-C-N 115.994 -0.548 . . . . 65.25 110.503 179.777 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -63.19 -37.97 89.34 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.086 -0.507 . . . . 64.4 109.99 176.712 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 73.5 mmm -57.81 -40.58 80.29 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.619 -0.719 . . . . 72.1 110.879 175.428 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.568 ' HB3' HD13 ' A' ' 76' ' ' LEU . 4.4 mt -63.89 -34.36 77.78 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.02 -0.536 . . . . 75.51 111.427 179.308 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . 0.522 ' ND2' HD11 ' A' ' 76' ' ' LEU . 1.2 m-80 -70.7 -20.91 62.63 Favored 'General case' 0 N--CA 1.467 0.393 0 CA-C-O 121.337 0.589 . . . . 61.34 110.031 -178.545 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 21.2 mm-40 -78.31 -32.29 49.26 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.479 -0.782 . . . . 74.14 110.443 176.387 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 90.7 mt -90.15 -50.68 5.86 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.003 -0.544 . . . . 74.24 111.867 -174.818 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . 0.511 ' HG3' ' CZ ' ' A' ' 125' ' ' PHE . 1.8 mmp_? -137.84 164.06 29.88 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.133 0.492 . . . . 65.44 111.278 -175.016 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 1.7 p-80 -126.05 166.91 16.11 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.735 -0.666 . . . . 75.54 109.372 173.489 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 85.16 25.66 39.54 Favored Glycine 0 N--CA 1.448 -0.531 0 C-N-CA 120.215 -0.993 . . . . 51.31 111.236 -176.269 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.849 ' H ' HD23 ' A' ' 76' ' ' LEU . 1.7 pt? -95.24 118.62 32.34 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.107 0.48 . . . . 71.3 110.099 -179.778 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 4.3 mp -114.61 114.71 47.38 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 CA-C-N 115.863 -0.608 . . . . 63.11 110.527 -178.534 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 95.0 m-85 -88.85 124.0 33.77 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.281 -0.418 . . . . 74.45 110.187 177.605 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 17.3 ptpt -136.15 135.74 39.47 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 116.096 -0.502 . . . . 41.43 110.875 -178.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 45.0 tp -76.48 103.0 6.25 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 109.125 -0.694 . . . . 71.11 109.125 174.359 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -92.4 -22.98 19.35 Favored 'General case' 0 C--N 1.325 -0.466 0 C-N-CA 120.883 -0.327 . . . . 74.31 111.694 -175.732 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . 0.505 ' HB2' ' HB ' ' A' ' 93' ' ' THR . 48.5 m -150.13 144.6 25.8 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 120.863 0.363 . . . . 72.41 111.022 -179.316 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 19.5 tm0? -146.12 120.12 9.39 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 109.496 -0.557 . . . . 62.34 109.496 177.889 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 7.4 p -147.15 155.46 42.15 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.295 -0.412 . . . . 62.11 110.854 -179.048 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 120.23 175.71 15.62 Favored Glycine 0 N--CA 1.449 -0.466 0 C-N-CA 120.587 -0.816 . . . . 63.01 112.816 176.909 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo -73.02 153.68 52.39 Favored 'Trans proline' 0 C--O 1.222 -0.302 0 C-N-CA 123.213 2.609 . . . . 73.11 111.443 178.341 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 29.5 m -68.59 -21.49 26.12 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 N-CA-C 112.122 0.416 . . . . 75.24 112.122 -177.017 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 37.3 p-80 -78.12 -33.17 50.68 Favored 'General case' 0 C--O 1.232 0.155 0 C-N-CA 120.784 -0.366 . . . . 75.44 110.872 179.385 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -147.71 72.48 11.56 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.321 -0.4 . . . . 72.31 110.499 179.488 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' PRO . . . . . 0.508 ' O ' ' HA ' ' A' ' 108' ' ' ARG . 1.0 OUTLIER -81.71 164.04 18.48 Favored 'Trans proline' 0 N--CA 1.454 -0.832 0 C-N-CA 122.692 2.261 . . . . 53.43 112.662 -175.989 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -112.18 119.01 36.92 Favored 'General case' 0 C--N 1.32 -0.716 0 N-CA-C 108.896 -0.779 . . . . 74.21 108.896 175.725 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.443 ' O ' ' HA ' ' A' ' 106' ' ' GLN . 69.0 m-85 -106.0 135.25 47.79 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 115.474 -0.784 . . . . 72.15 109.842 179.732 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . 0.505 ' HB ' ' HB2' ' A' ' 82' ' ' SER . 38.7 m -117.58 101.72 8.59 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 121.129 0.49 . . . . 74.11 110.044 -178.493 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . 0.52 HG21 ' HA ' ' A' ' 114' ' ' ARG . 6.3 mm -99.33 129.43 49.82 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 CA-C-N 115.591 -0.731 . . . . 74.25 109.628 179.454 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . 0.604 ' HB2' ' HD3' ' A' ' 102' ' ' LYS . 2.2 p -108.86 144.21 37.04 Favored 'General case' 0 C--N 1.314 -0.957 0 CA-C-N 116.362 -0.381 . . . . 42.04 110.115 174.311 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.455 HG12 ' HB1' ' A' ' 117' ' ' ALA . 7.6 p -136.89 126.07 36.75 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.829 0 CA-C-O 121.099 0.476 . . . . 71.53 110.298 175.67 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . 0.473 ' HA ' ' HA ' ' A' ' 102' ' ' LYS . 25.7 tt0 -94.36 114.46 26.51 Favored 'General case' 0 C--N 1.315 -0.908 0 N-CA-C 109.094 -0.706 . . . . 63.13 109.094 177.368 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 30.0 t -123.0 116.86 49.96 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.83 0 CA-C-N 115.75 -0.659 . . . . 64.24 110.149 -175.819 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 14.4 t70 62.57 21.61 12.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.607 -0.724 . . . . 60.44 110.683 178.755 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 107.44 -28.65 12.04 Favored Glycine 0 N--CA 1.449 -0.478 0 C-N-CA 120.81 -0.709 . . . . 63.44 112.37 179.36 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 12.5 mm-40 -86.24 129.18 34.94 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 120.984 0.421 . . . . 32.21 111.053 -179.151 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . 0.604 ' HD3' ' HB2' ' A' ' 95' ' ' SER . 0.7 OUTLIER -96.96 110.56 23.06 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.886 -0.597 . . . . 72.1 109.905 -177.767 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 70.8 m-85 -98.41 164.67 12.19 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.988 -0.551 . . . . 73.52 110.066 -178.719 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 12.0 tp -133.33 145.34 50.32 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.659 0.266 . . . . 71.2 110.777 -177.057 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . 0.459 ' HA3' ' N ' ' A' ' 117' ' ' ALA . . . -141.75 135.9 7.04 Favored Glycine 0 N--CA 1.447 -0.626 0 N-CA-C 111.538 -0.625 . . . . 71.14 111.538 176.279 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . 0.443 ' HA ' ' O ' ' A' ' 92' ' ' PHE . 23.5 mt-30 -122.14 119.59 31.74 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 120.746 0.307 . . . . 55.22 110.659 -176.78 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -136.63 174.78 21.4 Favored Glycine 0 N--CA 1.449 -0.49 0 C-N-CA 120.853 -0.689 . . . . 63.02 112.426 -177.587 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . 0.508 ' HA ' ' O ' ' A' ' 90' ' ' PRO . 28.9 mmt180 -84.12 5.64 25.42 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.177 0.513 . . . . 73.03 111.28 -178.182 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 109' ' ' SER . . . . . 0.579 ' HB2' HG23 ' A' ' 112' ' ' VAL . 27.2 m -159.55 161.79 35.29 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 108.672 -0.862 . . . . 74.43 108.672 -179.667 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 95.9 mttt -59.96 -37.13 78.69 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.425 0.631 . . . . 73.24 109.937 178.38 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 9.7 tmtt? -63.57 -45.84 88.63 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.194 -0.912 . . . . 65.12 110.862 178.303 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . 0.579 HG23 ' HB2' ' A' ' 109' ' ' SER . 27.6 t -63.82 -53.35 45.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.148 -0.478 . . . . 73.14 110.536 -179.156 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -58.13 -38.84 77.29 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.597 -0.729 . . . . 71.1 111.806 -175.846 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 114' ' ' ARG . . . . . 0.52 ' HA ' HG21 ' A' ' 94' ' ' ILE . 9.1 ttp180 -58.1 -44.89 87.92 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 121.369 0.604 . . . . 73.35 110.39 178.006 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 115' ' ' ILE . . . . . 0.601 HG12 ' HB3' ' A' ' 64' ' ' ASN . 60.9 mt -69.37 -44.88 79.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-N 115.512 -0.767 . . . . 71.44 111.621 179.513 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . 0.483 ' HG2' ' O ' ' A' ' 112' ' ' VAL . 8.2 mm-40 -58.58 -36.2 73.58 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.956 0.407 . . . . 75.42 111.194 178.513 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . 0.459 ' N ' ' HA3' ' A' ' 105' ' ' GLY . . . -63.51 -43.75 96.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.116 -0.493 . . . . 72.31 110.619 176.836 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -69.61 -29.59 67.14 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.686 -0.688 . . . . 44.13 111.138 -179.404 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -62.83 -45.37 92.91 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.033 0.444 . . . . 75.53 110.612 178.303 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 28.5 m -59.95 -36.47 77.17 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.808 -0.633 . . . . 63.33 110.527 176.358 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -66.28 -47.5 73.45 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.712 -0.676 . . . . 61.4 111.333 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . 0.417 HD12 HG22 ' A' ' 65' ' ' THR . 30.4 mt -59.0 -46.72 87.47 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.607 -0.269 . . . . 74.33 111.451 -177.914 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 25.2 ptt180 -68.63 -19.29 64.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.069 0.461 . . . . 73.45 110.587 -177.385 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 34.6 t -72.96 -30.63 63.99 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.053 -0.521 . . . . 73.04 110.332 176.875 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 125' ' ' PHE . . . . . 0.511 ' CZ ' ' HG3' ' A' ' 73' ' ' ARG . 60.7 m-85 -85.88 -58.29 2.71 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.115 -0.493 . . . . 70.22 110.462 179.712 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 126' ' ' ILE . . . . . 0.509 HD13 ' H ' ' A' ' 126' ' ' ILE . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.463 0 CA-C-O 121.282 0.563 . . . . 75.24 111.271 -177.276 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . 0.468 ' ND2' ' HB ' ' A' ' 66' ' ' VAL . 16.8 p-10 . . . . . 0 N--CA 1.449 -0.492 0 CA-C-O 121.253 0.549 . . . . 72.2 110.037 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 41.4 p -57.19 -27.33 61.85 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 115.028 -0.987 . . . . 74.54 111.051 -179.671 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.468 ' HB ' ' ND2' ' A' ' 64' ' ' ASN . 35.3 t -56.97 -46.88 84.09 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-N 115.453 -0.794 . . . . 71.14 110.49 175.615 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.605 ' O ' ' HG3' ' A' ' 71' ' ' GLU . . . -68.53 -39.83 80.98 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.976 -0.557 . . . . 73.23 109.981 178.148 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' MET . . . . . 0.434 ' HB2' HD11 ' A' ' 122' ' ' LEU . 80.6 mmm -56.27 -43.4 78.72 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 115.65 -0.705 . . . . 73.24 111.272 177.614 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.887 ' HB3' HD13 ' A' ' 76' ' ' LEU . 1.5 mt -63.14 -34.62 78.01 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.189 -0.46 . . . . 72.35 110.837 179.513 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . 0.4 ' ND2' HD11 ' A' ' 76' ' ' LEU . 26.9 m-80 -72.52 -16.89 61.77 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.152 0.501 . . . . 74.54 110.143 178.885 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.605 ' HG3' ' O ' ' A' ' 67' ' ' ALA . 40.1 mt-10 -91.02 -17.66 25.9 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.722 -0.672 . . . . 61.12 110.445 178.098 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 61.2 mt -101.41 -69.11 0.79 Allowed 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.925 -0.58 . . . . 72.44 111.405 -178.631 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 21.5 mmm180 -132.31 109.01 9.58 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.114 -0.494 . . . . 61.34 110.704 -172.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 9.5 p-80 -81.29 159.88 24.34 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 109.48 -0.563 . . . . 74.12 109.48 176.365 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 99.31 24.75 9.97 Favored Glycine 0 N--CA 1.446 -0.65 0 N-CA-C 110.16 -1.176 . . . . 25.41 110.16 -168.295 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.887 HD13 ' HB3' ' A' ' 69' ' ' LEU . 1.7 pt? -97.42 117.01 30.72 Favored 'General case' 0 N--CA 1.448 -0.542 0 CA-C-N 114.612 -0.794 . . . . 72.11 110.17 -179.396 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . 0.438 ' O ' ' HA ' ' A' ' 96' ' ' VAL . 4.2 mp -111.71 106.07 20.04 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.681 0 CA-C-N 116.507 -0.315 . . . . 63.13 110.865 -179.803 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . 0.578 ' CD2' ' HB ' ' A' ' 96' ' ' VAL . 81.4 m-85 -83.4 140.85 32.15 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 109.28 -0.637 . . . . 71.14 109.28 174.332 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . 0.401 ' HE3' ' HB3' ' A' ' 79' ' ' LYS . 8.1 ptpp? -151.02 151.44 32.05 Favored 'General case' 0 C--N 1.317 -0.832 0 N-CA-C 109.807 -0.442 . . . . 61.44 109.807 176.797 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 41.0 tp -91.55 106.28 18.37 Favored 'General case' 0 C--N 1.318 -0.782 0 N-CA-C 108.978 -0.749 . . . . 52.22 108.978 179.002 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -89.26 -24.1 22.17 Favored 'General case' 0 C--N 1.324 -0.528 0 C-N-CA 120.095 -0.642 . . . . 64.23 111.391 -175.888 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 62.2 m -157.21 150.56 23.96 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.675 0.274 . . . . 41.42 111.327 179.704 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 21.8 tm0? -143.64 117.47 9.33 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 109.133 -0.692 . . . . 73.2 109.133 175.323 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 19.3 p -145.91 141.25 27.61 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.474 -0.33 . . . . 62.45 111.21 -176.359 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 141.84 176.03 15.76 Favored Glycine 0 N--CA 1.45 -0.42 0 C-N-CA 120.29 -0.957 . . . . 65.44 112.991 174.846 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 59.0 Cg_endo -71.46 171.06 16.97 Favored 'Trans proline' 0 C--N 1.343 0.25 0 C-N-CA 123.004 2.469 . . . . 74.11 111.814 176.221 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 23.7 m -81.12 -18.78 11.67 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 C-N-CA 120.784 -0.366 . . . . 62.35 111.937 -178.391 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 32.9 p-80 -84.33 -27.95 27.41 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.948 0.404 . . . . 72.44 110.522 179.241 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -150.9 75.25 8.35 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-N 116.119 -0.491 . . . . 63.44 110.554 177.652 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' PRO . . . . . 0.505 ' O ' ' HA ' ' A' ' 108' ' ' ARG . 63.9 Cg_endo -78.96 156.42 26.76 Favored 'Trans proline' 0 N--CA 1.456 -0.698 0 C-N-CA 122.214 1.943 . . . . 75.34 111.547 179.652 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.507 HD11 ' HB3' ' A' ' 106' ' ' GLN . 22.7 tp -111.78 133.37 54.05 Favored 'General case' 0 C--N 1.315 -0.899 0 CA-C-O 121.092 0.472 . . . . 73.13 109.863 176.685 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.455 ' O ' ' HA ' ' A' ' 106' ' ' GLN . 12.1 m-85 -117.28 138.72 51.56 Favored 'General case' 0 C--N 1.312 -1.037 0 N-CA-C 108.752 -0.832 . . . . 74.12 108.752 178.233 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . 0.457 HG22 HD11 ' A' ' 104' ' ' LEU . 26.9 m -120.08 103.4 9.25 Favored 'General case' 0 C--N 1.316 -0.884 0 CA-C-O 121.12 0.485 . . . . 65.34 110.26 -176.573 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . 0.437 HG21 ' HA ' ' A' ' 114' ' ' ARG . 9.6 mm -101.37 131.42 49.18 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-N 115.356 -0.838 . . . . 73.42 110.202 -177.899 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . 0.585 ' CB ' ' HD3' ' A' ' 102' ' ' LYS . 1.6 p -112.95 113.93 26.19 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-N 115.661 -0.699 . . . . 54.53 110.731 178.608 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.578 ' HB ' ' CD2' ' A' ' 78' ' ' TYR . 7.1 p -107.72 127.35 63.81 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-O 121.144 0.497 . . . . 55.11 109.863 177.05 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 11.4 tt0 -104.16 113.37 26.87 Favored 'General case' 0 C--N 1.313 -0.993 0 CA-C-N 116.124 -0.489 . . . . 75.44 110.135 -178.387 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 22.1 t -125.68 126.25 69.89 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.633 0 CA-C-N 115.406 -0.816 . . . . 71.51 110.33 -177.82 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 56.85 31.1 19.01 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 114.884 -1.053 . . . . 70.24 111.705 179.334 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 80.27 16.51 76.14 Favored Glycine 0 N--CA 1.45 -0.409 0 C-N-CA 120.624 -0.798 . . . . 72.5 112.343 -179.831 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' GLN . . . . . 0.444 ' HA ' ' NE2' ' A' ' 101' ' ' GLN . 13.0 mm-40 -122.16 120.89 35.55 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.201 0.524 . . . . 74.31 110.468 176.662 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . 0.585 ' HD3' ' CB ' ' A' ' 95' ' ' SER . 0.7 OUTLIER -90.74 107.48 19.21 Favored 'General case' 0 C--N 1.316 -0.885 0 CA-C-N 115.514 -0.767 . . . . 51.53 110.378 -177.76 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 103' ' ' TYR . . . . . 0.455 ' HB3' ' HB ' ' A' ' 120' ' ' THR . 74.1 m-85 -96.1 133.47 40.32 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.445 -0.798 . . . . 72.11 109.701 -179.931 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.457 HD11 HG22 ' A' ' 93' ' ' THR . 12.2 tp -103.88 143.88 32.26 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 116.288 -0.415 . . . . 43.05 111.229 -176.619 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . 0.495 ' HA3' ' N ' ' A' ' 117' ' ' ALA . . . -140.29 130.1 4.48 Favored Glycine 0 N--CA 1.445 -0.72 0 N-CA-C 111.195 -0.762 . . . . 75.43 111.195 175.658 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . 0.507 ' HB3' HD11 ' A' ' 91' ' ' LEU . 23.0 mt-30 -119.29 117.01 27.43 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 120.945 0.402 . . . . 75.04 110.321 -176.285 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -134.11 -172.41 12.85 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 121.041 -0.6 . . . . 64.52 111.999 -175.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . 0.505 ' HA ' ' O ' ' A' ' 90' ' ' PRO . 10.8 mmt180 -89.14 -3.73 58.52 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.098 0.475 . . . . 70.5 110.821 -175.552 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 44.2 m -160.46 169.3 23.3 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 109.089 -0.708 . . . . 72.14 109.089 -176.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 93.7 mttt -57.06 -44.11 82.71 Favored 'General case' 0 N--CA 1.463 0.181 0 CA-C-O 121.194 0.521 . . . . 65.11 109.855 178.539 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 13.3 tmtt? -62.89 -48.12 80.36 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.053 -0.976 . . . . 55.25 110.321 -177.657 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . 0.611 ' O ' ' HG2' ' A' ' 116' ' ' GLU . 32.1 t -62.62 -50.62 79.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 116.014 -0.539 . . . . 73.23 110.617 179.453 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -62.0 -39.45 92.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.086 -0.506 . . . . 60.5 111.601 -176.621 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 114' ' ' ARG . . . . . 0.456 ' HG3' ' CD2' ' A' ' 78' ' ' TYR . 14.6 ttm180 -62.24 -41.94 98.88 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.076 -0.511 . . . . 73.03 110.335 179.435 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 68.5 mt -62.14 -49.43 84.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 115.835 -0.621 . . . . 72.54 110.781 174.68 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . 0.611 ' HG2' ' O ' ' A' ' 112' ' ' VAL . 55.7 mm-40 -57.85 -37.49 73.96 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.603 -0.271 . . . . 64.22 111.446 179.568 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . 0.549 ' HB1' HG12 ' A' ' 96' ' ' VAL . . . -63.51 -49.53 73.17 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.089 0.471 . . . . 64.14 110.9 177.179 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . 0.478 ' O ' ' HG ' ' A' ' 122' ' ' LEU . . . -65.56 -31.7 72.89 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.665 -0.698 . . . . 73.53 111.152 -179.415 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -61.72 -43.14 99.42 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.202 -0.454 . . . . 70.13 110.499 178.21 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 120' ' ' THR . . . . . 0.455 ' HB ' ' HB3' ' A' ' 103' ' ' TYR . 24.7 m -60.22 -39.83 88.05 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.929 -0.578 . . . . 75.04 110.416 176.863 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -63.31 -50.36 70.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.942 -0.572 . . . . 74.03 110.722 178.21 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . 0.478 ' HG ' ' O ' ' A' ' 118' ' ' ALA . 47.7 mt -57.86 -49.75 75.64 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.145 -0.48 . . . . 62.14 111.19 -177.909 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 13.8 ptm180 -70.18 -13.93 62.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.315 -0.402 . . . . 65.14 111.124 -175.336 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 3.1 t -85.66 -26.22 26.12 Favored 'General case' 0 N--CA 1.449 -0.499 0 N-CA-C 109.566 -0.531 . . . . 64.34 109.566 177.679 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 125' ' ' PHE . . . . . 0.406 ' HB2' HD13 ' A' ' 126' ' ' ILE . 25.2 m-85 -80.32 -57.08 3.77 Favored 'General case' 0 CA--C 1.52 -0.175 0 CA-C-O 121.233 0.54 . . . . 61.12 110.201 177.895 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 126' ' ' ILE . . . . . 0.413 HD13 ' H ' ' A' ' 126' ' ' ILE . 0.2 OUTLIER . . . . . 0 C--N 1.326 -0.416 0 CA-C-N 115.526 -0.761 . . . . 73.43 111.324 -174.839 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 21.1 p-10 . . . . . 0 N--CA 1.452 -0.353 0 CA-C-O 121.54 0.686 . . . . 74.54 110.197 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 40.5 p -63.39 -22.79 67.09 Favored 'General case' 0 C--N 1.316 -0.86 0 CA-C-N 114.901 -1.045 . . . . 52.03 111.446 -177.293 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.405 HG13 ' CE2' ' A' ' 78' ' ' TYR . 47.8 t -58.91 -40.67 80.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 115.524 -0.762 . . . . 70.21 110.689 177.495 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -70.96 -39.31 72.62 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.898 -0.592 . . . . 60.15 110.038 177.786 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' MET . . . . . 0.483 ' HB2' HD11 ' A' ' 122' ' ' LEU . 80.3 mmm -59.03 -44.12 91.72 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.383 -0.826 . . . . 75.31 110.718 178.214 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.773 ' HB3' HD13 ' A' ' 76' ' ' LEU . 0.9 OUTLIER -59.94 -37.98 81.09 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.811 -0.631 . . . . 72.54 111.086 -179.901 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . 0.447 ' ND2' HD11 ' A' ' 76' ' ' LEU . 20.5 m-80 -65.35 -26.43 68.02 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.937 0.399 . . . . 75.11 110.8 179.035 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 23.0 mt-10 -80.37 -24.09 40.01 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.213 -0.449 . . . . 73.23 110.747 178.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 76.2 mt -97.35 -51.79 4.04 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.362 -0.381 . . . . 74.21 111.857 -175.402 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -130.09 174.33 9.89 Favored 'General case' 0 N--CA 1.448 -0.557 0 CA-C-O 120.729 0.3 . . . . 62.32 110.829 -173.142 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 12.7 p-80 -127.93 166.71 17.8 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.129 -0.487 . . . . 73.14 110.178 176.047 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 75.51 28.65 61.12 Favored Glycine 0 N--CA 1.453 -0.171 0 C-N-CA 120.909 -0.663 . . . . 73.22 112.575 179.157 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.795 ' H ' HD23 ' A' ' 76' ' ' LEU . 0.7 OUTLIER -85.9 98.94 11.07 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.479 0.657 . . . . 74.12 111.106 -179.138 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . 0.503 ' O ' ' HA ' ' A' ' 96' ' ' VAL . 3.6 mt -98.6 114.98 37.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-N 115.659 -0.701 . . . . 62.11 110.771 -179.642 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . 0.462 ' CD1' ' HG3' ' A' ' 114' ' ' ARG . 91.4 m-85 -93.79 120.67 34.36 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.609 -0.269 . . . . 54.14 110.42 177.379 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 17.3 ptpt -133.88 140.95 47.17 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-O 120.922 0.391 . . . . 74.24 110.582 178.639 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.468 HD22 ' HE2' ' A' ' 110' ' ' LYS . 47.0 tp -79.55 98.77 7.0 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 109.405 -0.591 . . . . 72.01 109.405 175.475 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -83.95 -24.88 30.47 Favored 'General case' 0 C--N 1.328 -0.369 0 C-N-CA 120.521 -0.472 . . . . 73.35 111.49 -175.663 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 70.6 m -157.83 144.35 17.74 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.871 0.367 . . . . 74.21 111.181 178.493 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 23.1 tm0? -132.64 111.5 11.24 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 108.989 -0.745 . . . . 71.35 108.989 173.079 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . 0.568 ' O ' ' HB3' ' A' ' 91' ' ' LEU . 4.7 p -144.66 129.22 18.05 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.191 -0.459 . . . . 51.22 110.948 -175.416 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 164.05 177.05 36.49 Favored Glycine 0 N--CA 1.448 -0.533 0 C-N-CA 120.583 -0.818 . . . . 74.43 112.168 178.502 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 46.3 Cg_endo -70.12 166.14 29.05 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.59 2.193 . . . . 61.42 112.144 178.319 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 13.6 p -75.98 -26.07 17.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-O 120.783 0.325 . . . . 63.33 111.436 -178.388 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 39.6 p-80 -79.84 -28.33 40.1 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-O 120.839 0.352 . . . . 73.34 111.051 -179.137 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -148.78 71.57 10.48 Favored Pre-proline 0 C--N 1.328 -0.365 0 CA-C-N 116.301 -0.409 . . . . 51.13 110.705 178.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' PRO . . . . . 0.475 ' O ' ' HA ' ' A' ' 108' ' ' ARG . 37.9 Cg_endo -67.41 143.92 65.49 Favored 'Trans proline' 0 N--CA 1.464 -0.258 0 C-N-CA 122.602 2.201 . . . . 52.32 112.056 -177.14 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.568 ' HB3' ' O ' ' A' ' 84' ' ' THR . 26.4 tp -106.86 135.38 48.5 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.369 0.605 . . . . 75.22 110.651 179.625 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.49 ' O ' ' HA ' ' A' ' 106' ' ' GLN . 9.6 m-85 -113.85 142.01 46.62 Favored 'General case' 0 C--N 1.316 -0.879 0 CA-C-N 115.413 -0.812 . . . . 73.42 109.185 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . 0.431 HG22 HD11 ' A' ' 104' ' ' LEU . 11.5 m -121.11 101.97 8.01 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-O 121.001 0.429 . . . . 74.31 110.079 -178.264 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . 0.487 HG21 ' HA ' ' A' ' 114' ' ' ARG . 7.4 mm -98.76 127.67 51.12 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.75 0 CA-C-N 115.467 -0.788 . . . . 75.05 109.81 -179.761 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . 0.566 ' HB2' ' HD3' ' A' ' 102' ' ' LYS . 5.0 p -106.65 131.88 53.28 Favored 'General case' 0 C--N 1.314 -0.953 0 CA-C-N 115.673 -0.694 . . . . 63.52 110.17 177.396 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.503 ' HA ' ' O ' ' A' ' 77' ' ' ILE . 7.2 p -127.15 123.34 62.01 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.793 0 CA-C-O 121.319 0.58 . . . . 61.03 110.026 175.515 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 16.7 tt0 -96.5 110.48 22.86 Favored 'General case' 0 C--N 1.314 -0.944 0 CA-C-N 115.909 -0.587 . . . . 71.02 109.707 -178.292 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . 0.42 ' HB ' ' CE2' ' A' ' 103' ' ' TYR . 39.6 t -120.68 124.93 73.45 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.841 0 CA-C-N 115.689 -0.687 . . . . 73.33 110.355 -175.533 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 14.8 t70 61.58 8.84 2.45 Favored 'General case' 0 N--CA 1.468 0.427 0 CA-C-N 115.439 -0.8 . . . . 71.21 111.291 -176.305 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 105.7 -13.55 46.34 Favored Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.93 -0.652 . . . . 40.21 111.769 -177.166 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' GLN . . . . . 0.525 ' HB3' ' CE2' ' A' ' 103' ' ' TYR . 11.9 tp60 -86.07 130.11 34.63 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 108.721 -0.844 . . . . 65.33 108.721 177.076 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . 0.566 ' HD3' ' HB2' ' A' ' 95' ' ' SER . 4.0 tmmm? -94.91 106.95 18.97 Favored 'General case' 0 C--N 1.318 -0.788 0 C-N-CA 120.09 -0.644 . . . . 61.44 110.046 -179.052 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 103' ' ' TYR . . . . . 0.525 ' CE2' ' HB3' ' A' ' 101' ' ' GLN . 89.4 m-85 -92.54 143.76 26.02 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 115.507 -0.769 . . . . 72.34 110.003 179.826 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.431 HD11 HG22 ' A' ' 93' ' ' THR . 12.5 tp -118.92 137.76 53.24 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 120.905 0.383 . . . . 72.25 110.731 -175.771 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . 0.458 ' HA3' ' N ' ' A' ' 117' ' ' ALA . . . -134.71 136.68 8.72 Favored Glycine 0 N--CA 1.443 -0.894 0 CA-C-N 115.743 -0.662 . . . . 52.43 111.48 178.253 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . 0.49 ' HA ' ' O ' ' A' ' 92' ' ' PHE . 29.4 mt-30 -124.99 133.28 53.06 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 110.313 -0.254 . . . . 71.23 110.313 -176.414 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -153.27 174.19 31.99 Favored Glycine 0 N--CA 1.446 -0.646 0 C-N-CA 120.952 -0.642 . . . . 73.54 111.729 -179.038 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . 0.475 ' HA ' ' O ' ' A' ' 90' ' ' PRO . 30.0 mmt180 -80.73 8.84 7.19 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 117.03 0.415 . . . . 75.35 111.8 -177.361 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 42.8 m -162.71 165.93 25.01 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 108.972 -0.751 . . . . 73.33 108.972 179.82 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . 0.468 ' HE2' HD22 ' A' ' 80' ' ' LEU . 97.8 mttt -58.22 -42.63 86.7 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 121.035 0.445 . . . . 53.12 110.168 176.878 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 51.3 tttt -58.23 -53.87 53.39 Favored 'General case' 0 N--CA 1.452 -0.332 0 CA-C-N 115.225 -0.898 . . . . 74.25 110.721 -179.384 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . 0.585 ' O ' ' HG2' ' A' ' 116' ' ' GLU . 22.0 t -59.43 -52.32 62.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 115.481 -0.781 . . . . 70.11 110.265 -178.243 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -58.2 -37.44 74.8 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.036 -0.529 . . . . 63.43 111.405 -177.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 114' ' ' ARG . . . . . 0.487 ' HA ' HG21 ' A' ' 94' ' ' ILE . 43.3 ttm180 -65.87 -46.17 79.41 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.074 -0.512 . . . . 71.24 110.649 179.057 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 63.2 mt -63.46 -45.12 98.76 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 116.029 -0.532 . . . . 75.35 111.004 176.411 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . 0.585 ' HG2' ' O ' ' A' ' 112' ' ' VAL . 49.9 mm-40 -61.58 -38.67 88.38 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 120.651 0.263 . . . . 61.42 110.821 177.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . 0.458 ' N ' ' HA3' ' A' ' 105' ' ' GLY . . . -61.33 -47.8 84.24 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-O 121.024 0.44 . . . . 72.11 110.585 176.928 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . 0.491 ' O ' ' HG ' ' A' ' 122' ' ' LEU . . . -63.6 -35.9 82.05 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.85 -0.614 . . . . 60.21 110.566 177.761 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -64.36 -35.97 82.6 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.828 -0.624 . . . . 62.23 110.59 178.008 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 120' ' ' THR . . . . . 0.529 ' HA ' ' NE ' ' A' ' 123' ' ' ARG . 50.5 m -63.6 -41.34 98.33 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.125 0.488 . . . . 72.42 110.277 176.355 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -64.59 -48.44 74.94 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.977 -0.556 . . . . 62.24 110.457 177.653 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . 0.574 ' O ' HD13 ' A' ' 126' ' ' ILE . 48.3 mt -55.54 -52.57 63.25 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.402 -0.363 . . . . 63.15 110.827 179.186 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 123' ' ' ARG . . . . . 0.529 ' NE ' ' HA ' ' A' ' 120' ' ' THR . 14.3 ptp180 -65.11 -13.6 58.45 Favored 'General case' 0 CA--C 1.534 0.336 0 CA-C-N 115.974 -0.557 . . . . 74.42 111.217 -175.162 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 64.0 m -84.19 -27.46 28.01 Favored 'General case' 0 N--CA 1.439 -1.002 0 CA-C-N 116.409 -0.36 . . . . 60.24 111.385 174.881 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 23.3 m-85 -83.48 -49.07 9.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.304 -0.407 . . . . 65.31 111.153 -176.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 126' ' ' ILE . . . . . 0.574 HD13 ' O ' ' A' ' 122' ' ' LEU . 0.2 OUTLIER . . . . . 0 N--CA 1.45 -0.425 0 N-CA-C 109.732 -0.47 . . . . 74.23 109.732 -179.108 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 13.9 p-10 . . . . . 0 CA--C 1.514 -0.417 0 CA-C-O 121.546 0.689 . . . . 71.11 110.328 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 39.4 p -59.91 -24.79 64.6 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 114.593 -1.185 . . . . 71.52 111.605 -177.209 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 46.8 t -56.43 -44.8 81.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 115.592 -0.731 . . . . 41.11 110.881 177.823 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -68.42 -40.04 81.37 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.153 -0.476 . . . . 62.14 110.095 178.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 75.4 mmm -57.94 -40.48 80.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.376 -0.829 . . . . 74.12 111.101 179.053 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.812 ' HB3' HD13 ' A' ' 76' ' ' LEU . 1.3 mt -62.57 -41.52 98.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.956 -0.565 . . . . 63.21 111.127 -179.757 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 41.9 m-80 -61.08 -26.81 67.91 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-N 116.319 -0.4 . . . . 75.34 110.661 179.226 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 16.0 mt-10 -82.05 -26.89 33.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 63.24 111.217 179.567 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 49.6 mt -85.28 -59.67 2.26 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 111.999 0.37 . . . . 64.13 111.999 -176.114 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . 0.646 ' HG2' ' HB2' ' A' ' 99' ' ' ASP . 26.4 tpt180 -142.02 122.79 14.33 Favored 'General case' 0 N--CA 1.447 -0.613 0 C-N-CA 121.058 -0.257 . . . . 71.4 110.939 -173.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 3.3 p-80 -71.6 157.34 38.15 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.628 -0.508 . . . . 51.2 109.628 174.437 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 88.65 41.52 6.01 Favored Glycine 0 N--CA 1.444 -0.785 0 C-N-CA 120.216 -0.992 . . . . 44.15 110.885 -175.897 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.812 HD13 ' HB3' ' A' ' 69' ' ' LEU . 1.0 OUTLIER -105.11 96.91 6.86 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.398 0.618 . . . . 70.23 109.944 178.092 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . 0.534 ' O ' ' HA ' ' A' ' 96' ' ' VAL . 5.0 mp -99.16 107.27 20.26 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 CA-C-N 115.935 -0.575 . . . . 72.11 110.962 -176.826 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . 0.531 ' CD2' ' HB ' ' A' ' 96' ' ' VAL . 88.9 m-85 -85.92 127.02 34.51 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 109.582 -0.525 . . . . 63.04 109.582 175.652 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . 0.473 ' HG2' ' O ' ' A' ' 95' ' ' SER . 15.5 ptpt -134.53 132.79 39.58 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-O 120.917 0.389 . . . . 53.33 110.397 178.895 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.484 HD22 ' HE2' ' A' ' 110' ' ' LYS . 54.2 tp -78.18 99.48 6.23 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 109.158 -0.682 . . . . 73.01 109.158 175.725 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -87.33 -34.39 18.86 Favored 'General case' 0 C--N 1.321 -0.637 0 C-N-CA 120.584 -0.446 . . . . 73.2 111.257 -175.224 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . 0.52 ' HB2' ' HB ' ' A' ' 93' ' ' THR . 21.8 m -139.36 142.04 37.59 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.414 -0.357 . . . . 74.44 111.071 -175.318 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 20.3 tm0? -143.83 119.37 10.37 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 109.2 -0.667 . . . . 74.54 109.2 175.406 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 9.2 p -144.12 140.06 29.21 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.528 -0.305 . . . . 73.23 111.281 -177.535 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 133.86 172.82 13.0 Favored Glycine 0 N--CA 1.445 -0.726 0 C-N-CA 120.545 -0.836 . . . . 74.32 112.75 175.685 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 57.6 Cg_endo -69.73 176.75 6.33 Favored 'Trans proline' 0 C--O 1.223 -0.226 0 C-N-CA 123.28 2.653 . . . . 70.42 111.737 176.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 27.4 m -86.01 -20.86 7.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 C-N-CA 120.78 -0.368 . . . . 75.31 111.116 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 38.6 p-80 -78.45 -24.52 46.0 Favored 'General case' 0 C--N 1.331 -0.231 0 C-N-CA 120.846 -0.341 . . . . 74.21 110.259 177.704 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -155.4 77.36 4.84 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-N 116.149 -0.478 . . . . 62.24 110.623 177.237 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' PRO . . . . . 0.496 ' O ' ' HA ' ' A' ' 108' ' ' ARG . 10.4 Cg_endo -88.07 141.85 5.28 Favored 'Trans proline' 0 N--CA 1.453 -0.859 0 C-N-CA 122.877 2.385 . . . . 72.11 112.19 -179.14 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 26.9 tp -96.63 135.05 39.08 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-O 121.483 0.658 . . . . 72.11 110.182 176.383 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 30.9 m-85 -119.18 135.77 54.51 Favored 'General case' 0 C--N 1.314 -0.959 0 CA-C-N 115.205 -0.907 . . . . 72.42 109.018 178.876 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . 0.533 HG23 ' HG2' ' A' ' 106' ' ' GLN . 16.4 m -119.24 104.04 10.05 Favored 'General case' 0 C--N 1.315 -0.9 0 CA-C-N 116.252 -0.431 . . . . 55.5 110.177 -178.055 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 6.1 mm -101.06 128.73 52.98 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.817 0 CA-C-N 115.589 -0.732 . . . . 72.41 109.881 -179.1 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . 0.473 ' O ' ' HG2' ' A' ' 79' ' ' LYS . 1.4 p -110.5 121.75 46.07 Favored 'General case' 0 C--N 1.312 -1.026 0 N-CA-C 109.85 -0.426 . . . . 42.53 109.85 174.749 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.59 HG12 ' HB1' ' A' ' 117' ' ' ALA . 7.4 p -111.84 122.71 66.68 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.784 0 CA-C-O 121.42 0.629 . . . . 72.1 110.046 176.815 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . 0.483 ' HA ' ' HA ' ' A' ' 102' ' ' LYS . 12.4 tt0 -101.12 109.78 21.71 Favored 'General case' 0 C--N 1.311 -1.084 0 N-CA-C 109.122 -0.696 . . . . 75.41 109.122 178.86 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 15.0 t -115.28 122.77 69.94 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.731 0 CA-C-N 115.576 -0.738 . . . . 44.44 110.103 -175.394 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . 0.646 ' HB2' ' HG2' ' A' ' 73' ' ' ARG . 33.9 t70 60.74 8.52 1.82 Allowed 'General case' 0 N--CA 1.47 0.54 0 CA-C-N 115.703 -0.68 . . . . 72.55 111.904 -179.004 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 111.43 -9.53 28.52 Favored Glycine 0 N--CA 1.449 -0.441 0 C-N-CA 121.07 -0.586 . . . . 52.31 112.337 -177.814 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 6.2 mm-40 -96.95 124.26 40.88 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 110.37 -0.233 . . . . 73.31 110.37 177.464 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . 0.483 ' HA ' ' HA ' ' A' ' 97' ' ' GLU . 0.0 OUTLIER -95.04 116.32 28.55 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 121.038 0.447 . . . . 74.54 110.8 -177.546 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 54.1 m-85 -106.88 132.63 52.62 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.718 -0.673 . . . . 71.31 109.898 178.568 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.429 HD11 HG22 ' A' ' 93' ' ' THR . 13.6 tp -102.92 141.71 35.26 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 120.759 0.314 . . . . 62.22 110.801 -176.875 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -136.39 133.08 6.37 Favored Glycine 0 N--CA 1.447 -0.591 0 C-N-CA 121.039 -0.6 . . . . 31.34 111.679 177.373 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . 0.533 ' HG2' HG23 ' A' ' 93' ' ' THR . 32.7 mt-30 -124.4 122.86 38.82 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 120.919 0.39 . . . . 74.03 111.081 -176.561 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -143.57 177.05 22.61 Favored Glycine 0 N--CA 1.449 -0.451 0 N-CA-C 111.259 -0.736 . . . . 71.33 111.259 -178.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . 0.496 ' HA ' ' O ' ' A' ' 90' ' ' PRO . 20.7 mmt180 -86.77 12.1 11.65 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 117.473 0.637 . . . . 74.1 110.712 -177.188 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 109' ' ' SER . . . . . 0.509 ' HB2' HG23 ' A' ' 112' ' ' VAL . 25.3 m -161.5 159.7 28.23 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 109.101 -0.703 . . . . 41.45 109.101 -179.476 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . 0.484 ' HE2' HD22 ' A' ' 80' ' ' LEU . 99.5 mttt -58.45 -43.84 88.96 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-O 121.098 0.475 . . . . 73.11 110.068 178.159 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 59.1 tttt -55.43 -52.4 63.73 Favored 'General case' 0 N--CA 1.453 -0.318 0 CA-C-N 115.119 -0.946 . . . . 63.33 110.952 178.127 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . 0.509 HG23 ' HB2' ' A' ' 109' ' ' SER . 31.3 t -61.98 -49.92 82.2 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 115.527 -0.76 . . . . 52.12 110.721 -177.69 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -58.94 -38.04 78.1 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.966 -0.561 . . . . 61.34 111.324 -178.327 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 61.2 ttt180 -65.59 -41.99 92.21 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.931 -0.577 . . . . 75.43 110.526 179.228 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 73.3 mt -63.95 -47.37 90.83 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.342 0 CA-C-N 116.049 -0.523 . . . . 74.0 111.147 175.39 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . 0.444 ' HG2' ' O ' ' A' ' 112' ' ' VAL . 5.8 mm-40 -59.43 -38.94 81.97 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.024 0.44 . . . . 64.34 111.257 179.402 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . 0.59 ' HB1' HG12 ' A' ' 96' ' ' VAL . . . -63.97 -47.23 81.2 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.034 -0.53 . . . . 63.14 110.384 177.246 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . 0.545 ' O ' ' HG ' ' A' ' 122' ' ' LEU . . . -66.39 -34.12 77.25 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.647 -0.706 . . . . 75.45 111.464 -179.393 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -61.36 -43.53 98.72 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 121.108 0.48 . . . . 41.42 110.298 178.531 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 120' ' ' THR . . . . . 0.456 ' O ' ' HG2' ' A' ' 123' ' ' ARG . 25.7 m -62.51 -38.78 91.28 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.411 -0.813 . . . . 74.14 110.361 177.373 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -61.45 -51.59 68.07 Favored 'General case' 0 N--CA 1.45 -0.437 0 CA-C-N 115.745 -0.661 . . . . 33.3 110.652 178.069 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . 0.545 ' HG ' ' O ' ' A' ' 118' ' ' ALA . 44.3 mt -54.86 -49.14 71.86 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.889 0.376 . . . . 62.34 111.025 -177.888 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 123' ' ' ARG . . . . . 0.456 ' HG2' ' O ' ' A' ' 120' ' ' THR . 3.8 ptm180 -68.63 -12.05 60.86 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.913 -0.585 . . . . 71.3 111.336 -175.718 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 25.2 t -88.79 -26.06 21.91 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.692 -0.231 . . . . 73.21 111.01 175.591 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 68.7 m-85 -82.6 -55.76 4.27 Favored 'General case' 0 CA--C 1.518 -0.288 0 CA-C-O 120.814 0.34 . . . . 65.24 110.811 -178.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 126' ' ' ILE . . . . . 0.526 HD13 ' H ' ' A' ' 126' ' ' ILE . 0.2 OUTLIER . . . . . 0 N--CA 1.448 -0.545 0 CA-C-O 121.529 0.68 . . . . 74.54 110.529 -178.359 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . 0.596 ' ND2' ' HB ' ' A' ' 66' ' ' VAL . 12.7 p-10 . . . . . 0 CA--C 1.516 -0.329 0 CA-C-O 121.369 0.605 . . . . 54.25 110.263 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 0.525 ' HA ' ' HG3' ' A' ' 68' ' ' MET . 30.7 p -59.42 -27.38 65.99 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 115.176 -0.92 . . . . 60.52 111.009 -179.915 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.596 ' HB ' ' ND2' ' A' ' 64' ' ' ASN . 33.4 t -57.76 -39.21 69.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 115.262 -0.881 . . . . 71.13 110.557 176.105 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -69.5 -38.28 77.56 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.962 -0.563 . . . . 70.4 110.339 178.786 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' MET . . . . . 0.525 ' HG3' ' HA ' ' A' ' 65' ' ' THR . 15.7 mtp -65.36 -36.37 83.79 Favored 'General case' 0 CA--C 1.521 -0.154 0 CA-C-N 115.991 -0.55 . . . . 74.34 109.823 179.169 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.848 ' HB3' HD13 ' A' ' 76' ' ' LEU . 1.8 mt -62.78 -35.27 79.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.897 -0.592 . . . . 71.03 111.067 178.88 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 20.6 m-80 -69.92 -24.49 63.38 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.309 0.576 . . . . 73.53 110.232 179.384 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -82.49 -25.93 33.04 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.303 -0.862 . . . . 60.43 110.723 177.716 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 85.6 mt -90.2 -65.57 1.0 Allowed 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.304 -0.407 . . . . 71.13 111.637 -177.589 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . 0.634 ' HG2' ' HB2' ' A' ' 99' ' ' ASP . 10.7 tpt180 -143.1 117.5 9.66 Favored 'General case' 0 N--CA 1.449 -0.481 0 CA-C-O 120.498 0.19 . . . . 74.43 110.66 -172.587 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 4.8 p-80 -72.15 161.33 31.03 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 109.706 -0.479 . . . . 75.34 109.706 173.833 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . 0.447 ' O ' ' HA ' ' A' ' 98' ' ' VAL . . . 90.41 44.12 4.73 Favored Glycine 0 N--CA 1.438 -1.178 0 C-N-CA 120.0 -1.095 . . . . 71.31 110.474 -174.025 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.848 HD13 ' HB3' ' A' ' 69' ' ' LEU . 0.9 OUTLIER -110.1 94.57 5.08 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.424 0.63 . . . . 75.13 109.919 179.548 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . 0.425 ' O ' ' HA ' ' A' ' 96' ' ' VAL . 5.0 mp -95.25 110.02 23.38 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.761 0 CA-C-N 116.006 -0.543 . . . . 55.32 110.731 -176.062 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . 0.51 ' CD1' ' HB ' ' A' ' 96' ' ' VAL . 86.9 m-85 -89.54 129.36 36.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.137 -0.483 . . . . 64.22 110.214 176.32 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 17.4 ptpt -139.74 143.68 37.11 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 116.386 -0.37 . . . . 45.33 110.23 175.758 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.519 HD22 ' HE2' ' A' ' 110' ' ' LYS . 40.4 tp -82.66 118.75 23.56 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 109.379 -0.6 . . . . 72.13 109.379 177.758 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . 0.402 ' OE1' ' HB3' ' A' ' 95' ' ' SER . 7.6 pt-20 -106.22 -30.44 9.2 Favored 'General case' 0 C--N 1.323 -0.549 0 C-N-CA 119.999 -0.68 . . . . 73.23 111.97 -178.767 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . 0.543 ' HB2' ' HB ' ' A' ' 93' ' ' THR . 50.5 m -139.72 146.1 39.17 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 120.735 0.303 . . . . 74.55 110.592 -179.918 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 22.0 tm0? -148.24 124.1 10.61 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 109.751 -0.463 . . . . 73.23 109.751 178.385 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 19.4 p -143.89 -168.16 2.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.262 -0.426 . . . . 51.34 110.529 -179.149 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 92.41 179.96 40.73 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.947 -0.644 . . . . 60.24 113.047 175.286 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -71.15 -163.48 0.13 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 123.515 2.81 . . . . 64.03 112.348 177.146 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 35.4 m -104.42 -23.98 4.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 C-N-CA 120.705 -0.398 . . . . 72.51 110.794 176.915 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 50.3 p-80 -83.38 -26.34 30.55 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.13 -0.486 . . . . 62.32 110.538 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -156.1 70.57 5.11 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 120.839 0.352 . . . . 73.25 110.655 179.24 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' PRO . . . . . 0.538 ' O ' ' HA ' ' A' ' 108' ' ' ARG . 3.2 Cg_exo -77.47 178.41 7.66 Favored 'Trans proline' 0 N--CA 1.457 -0.653 0 C-N-CA 122.732 2.288 . . . . 63.01 112.213 -176.727 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 19.2 tp -121.47 130.7 53.72 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 115.826 -0.625 . . . . 72.0 110.035 175.363 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.497 ' O ' ' HA ' ' A' ' 106' ' ' GLN . 25.4 m-85 -118.38 137.55 53.05 Favored 'General case' 0 C--N 1.31 -1.111 0 CA-C-N 115.274 -0.875 . . . . 73.2 109.186 -178.742 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . 0.543 ' HB ' ' HB2' ' A' ' 82' ' ' SER . 6.7 m -117.13 103.24 10.01 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-O 121.179 0.514 . . . . 45.45 110.149 -178.594 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 7.1 mm -98.87 127.63 51.29 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.857 0 CA-C-N 115.407 -0.815 . . . . 73.42 109.801 -178.343 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . 0.567 ' CB ' ' HD3' ' A' ' 102' ' ' LYS . 0.3 OUTLIER -101.97 120.18 39.98 Favored 'General case' 0 C--N 1.311 -1.096 0 CA-C-N 115.812 -0.631 . . . . 63.34 109.832 174.106 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.537 HG12 ' HB1' ' A' ' 117' ' ' ALA . 9.4 p -108.61 124.98 65.5 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.828 0 CA-C-O 121.361 0.6 . . . . 74.11 110.091 176.941 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 20.9 tt0 -101.3 110.73 22.78 Favored 'General case' 0 C--N 1.309 -1.175 0 CA-C-N 115.505 -0.771 . . . . 72.21 109.047 177.462 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . 0.447 ' HA ' ' O ' ' A' ' 75' ' ' GLY . 13.9 t -123.0 129.41 75.11 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 CA-C-N 115.898 -0.592 . . . . 62.31 109.999 -176.093 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . 0.634 ' HB2' ' HG2' ' A' ' 73' ' ' ARG . 28.4 t70 66.81 -11.61 0.25 Allowed 'General case' 0 N--CA 1.471 0.587 0 CA-C-O 121.36 0.6 . . . . 54.55 111.928 179.515 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 100' ' ' GLY . . . . . 0.441 ' H ' ' C ' ' A' ' 98' ' ' VAL . . . 119.19 3.42 13.08 Favored Glycine 0 N--CA 1.446 -0.672 0 N-CA-C 111.499 -0.64 . . . . 74.33 111.499 -173.802 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 101' ' ' GLN . . . . . 0.481 ' HA ' ' NE2' ' A' ' 101' ' ' GLN . 13.2 mm-40 -110.68 136.94 49.01 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.805 0.336 . . . . 74.51 110.702 176.023 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . 0.567 ' HD3' ' CB ' ' A' ' 95' ' ' SER . 1.8 tmmm? -102.22 117.55 35.01 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-O 121.185 0.517 . . . . 73.13 110.106 -176.148 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 103' ' ' TYR . . . . . 0.484 ' HB3' ' HB ' ' A' ' 120' ' ' THR . 48.8 m-85 -108.55 148.92 29.58 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 115.445 -0.798 . . . . 74.13 109.544 178.378 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.433 HD11 HG22 ' A' ' 93' ' ' THR . 13.3 tp -114.59 147.75 39.04 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 120.758 0.313 . . . . 54.54 110.73 -175.779 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . 0.455 ' HA3' ' N ' ' A' ' 117' ' ' ALA . . . -147.91 137.33 6.45 Favored Glycine 0 N--CA 1.445 -0.709 0 N-CA-C 111.533 -0.627 . . . . 75.23 111.533 176.864 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . 0.517 ' HG2' HG23 ' A' ' 93' ' ' THR . 21.7 mt-30 -121.74 122.78 40.32 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 120.805 0.336 . . . . 75.4 110.19 -177.867 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -136.9 177.86 19.38 Favored Glycine 0 N--CA 1.448 -0.554 0 C-N-CA 120.881 -0.676 . . . . 71.34 111.739 -177.011 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . 0.538 ' HA ' ' O ' ' A' ' 90' ' ' PRO . 5.9 mmt180 -83.76 3.02 35.16 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.243 0.544 . . . . 65.14 111.062 -176.441 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 70.8 m -163.56 164.38 24.25 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 108.672 -0.862 . . . . 64.43 108.672 -178.574 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . 0.519 ' HE2' HD22 ' A' ' 80' ' ' LEU . 84.5 mttt -58.96 -39.93 83.19 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 121.04 0.448 . . . . 74.14 110.113 179.296 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 52.7 tttp -62.18 -50.9 69.97 Favored 'General case' 0 N--CA 1.449 -0.476 0 CA-C-N 115.37 -0.832 . . . . 74.41 110.856 179.675 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 46.7 t -61.74 -47.1 94.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 115.86 -0.609 . . . . 64.45 111.11 179.498 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -63.67 -34.87 78.81 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.908 0.385 . . . . 63.5 111.122 -178.824 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 63.5 ttt180 -61.54 -41.55 97.52 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.893 -0.594 . . . . 75.51 109.614 176.471 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 115' ' ' ILE . . . . . 0.427 HG12 ' HB2' ' A' ' 64' ' ' ASN . 74.5 mt -65.08 -49.26 80.33 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.304 0 CA-C-N 115.474 -0.784 . . . . 74.25 111.067 174.693 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 47.4 mm-40 -55.41 -43.76 75.56 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.656 0.265 . . . . 71.12 111.485 179.022 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . 0.537 ' HB1' HG12 ' A' ' 96' ' ' VAL . . . -63.17 -43.21 98.88 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.13 0.491 . . . . 73.13 110.991 179.33 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . 0.572 ' O ' ' HG ' ' A' ' 122' ' ' LEU . . . -65.4 -32.61 74.33 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.632 -0.713 . . . . 72.41 111.002 -179.404 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -59.29 -42.48 91.41 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.263 -0.426 . . . . 73.45 110.955 178.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 120' ' ' THR . . . . . 0.484 ' HB ' ' HB3' ' A' ' 103' ' ' TYR . 19.4 m -65.18 -40.79 94.75 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.863 -0.608 . . . . 34.21 110.735 178.037 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -60.23 -51.42 69.65 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.14 -0.482 . . . . 53.14 110.42 177.781 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . 0.572 ' HG ' ' O ' ' A' ' 118' ' ' ALA . 52.4 mt -50.14 -53.06 30.21 Favored 'General case' 0 CA--C 1.521 -0.146 0 CA-C-N 115.718 -0.674 . . . . 75.33 111.391 -178.677 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 13.7 ptm180 -68.13 -17.76 64.45 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.95 -0.568 . . . . 73.35 111.826 -173.733 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 24.7 t -75.24 -30.36 60.51 Favored 'General case' 0 C--N 1.325 -0.463 0 C-N-CA 120.728 -0.389 . . . . 75.32 110.168 176.462 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 70.8 m-85 -79.42 -56.71 4.12 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.071 -0.513 . . . . 73.3 111.175 -178.487 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 126' ' ' ILE . . . . . 0.57 HD13 ' H ' ' A' ' 126' ' ' ILE . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.483 0 CA-C-O 121.301 0.572 . . . . 73.42 109.855 179.079 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . 0.608 HD22 HG22 ' A' ' 66' ' ' VAL . 3.1 p-10 . . . . . 0 C--O 1.239 0.537 0 CA-C-O 122.379 1.085 . . . . 65.15 111.5 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 0.42 HG22 HD12 ' A' ' 122' ' ' LEU . 19.6 p -62.09 -22.17 65.57 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 113.871 -1.513 . . . . 64.45 113.269 -170.372 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.608 HG22 HD22 ' A' ' 64' ' ' ASN . 1.1 m -67.28 -31.48 53.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 121.004 0.43 . . . . 74.13 110.338 -176.717 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -75.32 -40.38 58.47 Favored 'General case' 0 N--CA 1.452 -0.362 0 N-CA-C 109.061 -0.718 . . . . 73.43 109.061 175.584 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' MET . . . . . 0.4 ' HB2' HD11 ' A' ' 122' ' ' LEU . 81.3 mmm -56.65 -45.43 81.62 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 114.969 -1.014 . . . . 74.23 110.864 176.57 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.756 ' HB3' HD13 ' A' ' 76' ' ' LEU . 0.7 OUTLIER -61.4 -36.61 80.76 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.13 -0.486 . . . . 73.14 111.601 179.697 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . 0.451 ' ND2' HD11 ' A' ' 76' ' ' LEU . 10.7 m-80 -66.1 -25.54 67.05 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-O 120.93 0.395 . . . . 63.43 110.52 -178.392 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -81.76 -26.51 34.43 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.605 -0.725 . . . . 74.52 110.998 178.841 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 59.2 mt -89.59 -58.19 2.61 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 112.098 0.407 . . . . 71.51 112.098 -176.393 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . 0.654 ' HG3' ' CZ ' ' A' ' 125' ' ' PHE . 2.6 mmp_? -135.4 167.77 20.44 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.122 0.487 . . . . 74.42 111.686 -174.003 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 1.8 p-80 -115.75 169.52 9.15 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.537 -0.756 . . . . 75.55 110.087 177.53 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 74.58 21.81 78.18 Favored Glycine 0 N--CA 1.446 -0.685 0 C-N-CA 120.55 -0.833 . . . . 75.42 111.939 -176.844 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.877 ' H ' HD23 ' A' ' 76' ' ' LEU . 1.1 pt? -76.88 79.69 3.45 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.597 0.713 . . . . 72.41 110.081 178.697 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . 0.428 ' O ' ' HA ' ' A' ' 96' ' ' VAL . 3.7 mt -82.46 106.52 13.43 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.7 0 CA-C-N 115.391 -0.822 . . . . 72.4 110.814 -176.269 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 93.2 m-85 -84.84 109.82 18.38 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 109.503 -0.555 . . . . 73.4 109.503 174.262 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . 0.507 ' HG2' ' O ' ' A' ' 95' ' ' SER . 17.1 ptpt -121.07 124.44 44.8 Favored 'General case' 0 C--N 1.315 -0.915 0 CA-C-N 115.743 -0.662 . . . . 74.21 109.905 -177.005 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 44.9 tp -73.78 111.68 9.16 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 108.717 -0.845 . . . . 60.3 108.717 177.768 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -93.31 -29.26 15.74 Favored 'General case' 0 C--N 1.323 -0.555 0 C-N-CA 120.154 -0.618 . . . . 62.45 111.691 -176.027 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 47.0 m -156.77 151.98 26.39 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.555 -0.293 . . . . 71.52 110.56 179.385 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 24.3 tm0? -151.6 116.96 5.32 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.261 -0.427 . . . . 74.22 109.872 177.209 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 2.3 p -152.98 164.65 37.56 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.139 -0.482 . . . . 72.31 110.258 179.577 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 137.38 -173.95 22.0 Favored Glycine 0 N--CA 1.448 -0.53 0 C-N-CA 120.813 -0.708 . . . . 61.55 112.2 177.865 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 65.5 Cg_endo -72.04 173.8 12.31 Favored 'Trans proline' 0 C--N 1.344 0.296 0 C-N-CA 123.073 2.515 . . . . 71.34 111.432 177.588 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 9.5 p -87.49 -27.25 5.72 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 C-N-CA 120.517 -0.473 . . . . 73.11 110.601 -179.794 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 34.5 p-80 -72.55 -27.33 62.16 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.893 0.378 . . . . 74.22 110.405 179.549 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -156.57 73.25 4.83 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-N 116.112 -0.495 . . . . 74.24 110.755 179.128 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' PRO . . . . . 0.402 ' HG2' ' HE1' ' A' ' 92' ' ' PHE . 37.4 Cg_endo -70.55 146.04 54.24 Favored 'Trans proline' 0 N--CA 1.461 -0.424 0 C-N-CA 122.277 1.984 . . . . 74.44 111.856 179.435 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 15.3 tp -98.8 133.08 43.61 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-O 121.456 0.646 . . . . 54.42 110.397 179.633 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.558 ' O ' ' HA ' ' A' ' 106' ' ' GLN . 18.4 m-85 -114.77 132.99 56.27 Favored 'General case' 0 C--N 1.312 -1.025 0 CA-C-N 115.048 -0.978 . . . . 71.21 108.781 178.066 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . 0.548 HG23 ' HG2' ' A' ' 106' ' ' GLN . 11.8 m -113.38 98.69 7.25 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-O 121.218 0.532 . . . . 64.52 110.219 -177.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . 0.505 HG21 ' HA ' ' A' ' 114' ' ' ARG . 4.8 mm -97.27 128.82 48.16 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.76 0 CA-C-N 115.382 -0.827 . . . . 74.42 110.037 -179.357 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . 0.531 ' HB2' ' HD3' ' A' ' 102' ' ' LYS . 3.9 p -109.05 120.16 41.72 Favored 'General case' 0 C--N 1.308 -1.218 0 CA-C-N 115.517 -0.765 . . . . 65.52 109.642 175.668 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.571 HG12 ' HB1' ' A' ' 117' ' ' ALA . 14.4 p -103.23 126.42 57.58 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.777 0 C-N-CA 120.166 -0.613 . . . . 74.11 109.355 175.472 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 13.9 tt0 -107.05 107.68 18.79 Favored 'General case' 0 C--N 1.31 -1.145 0 N-CA-C 109.437 -0.579 . . . . 62.44 109.437 -179.1 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . 0.455 HG22 ' HA ' ' A' ' 76' ' ' LEU . 26.1 t -121.7 124.94 72.67 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.875 0 CA-C-N 115.846 -0.616 . . . . 55.2 110.225 -174.418 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 4.1 t70 56.77 20.98 5.55 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.756 -0.656 . . . . 71.01 110.992 -177.488 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 97.85 -9.65 63.98 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.813 -0.708 . . . . 64.43 112.416 -179.064 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 101' ' ' GLN . . . . . 0.455 ' HA ' ' NE2' ' A' ' 101' ' ' GLN . 16.2 mm-40 -95.0 129.83 41.91 Favored 'General case' 0 CA--C 1.511 -0.548 0 CA-C-O 121.011 0.434 . . . . 52.41 110.756 -179.874 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . 0.531 ' HD3' ' HB2' ' A' ' 95' ' ' SER . 2.8 tmmm? -99.92 117.19 33.7 Favored 'General case' 0 C--N 1.316 -0.857 0 CA-C-N 115.9 -0.591 . . . . 74.12 110.164 -176.922 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 103' ' ' TYR . . . . . 0.562 ' HB3' ' HB ' ' A' ' 120' ' ' THR . 32.4 m-85 -108.39 134.62 50.95 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 108.878 -0.786 . . . . 73.2 108.878 178.792 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.485 HD11 HG22 ' A' ' 93' ' ' THR . 13.1 tp -107.41 139.33 42.06 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 121.057 0.456 . . . . 62.34 111.728 -173.5 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . 0.417 ' HA3' ' HB2' ' A' ' 116' ' ' GLU . . . -134.93 140.61 11.87 Favored Glycine 0 N--CA 1.445 -0.744 0 N-CA-C 110.99 -0.844 . . . . 74.43 110.99 175.743 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . 0.558 ' HA ' ' O ' ' A' ' 92' ' ' PHE . 30.0 mt-30 -131.1 100.77 5.33 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 121.005 0.431 . . . . 74.24 110.72 -175.137 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -117.03 -178.48 17.79 Favored Glycine 0 N--CA 1.442 -0.914 0 C-N-CA 120.671 -0.776 . . . . 64.24 112.173 -170.864 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 38.2 mmt-85 -87.14 2.53 49.55 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.5 0.667 . . . . 64.43 109.682 -179.71 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 58.8 m -162.66 162.77 27.12 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.308 -0.86 . . . . 75.31 109.083 -178.678 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 99.8 mttt -56.2 -39.95 73.23 Favored 'General case' 0 C--N 1.33 -0.272 0 O-C-N 123.324 0.39 . . . . 72.23 110.728 179.236 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 79.4 tttt -64.54 -50.99 65.15 Favored 'General case' 0 N--CA 1.453 -0.32 0 CA-C-N 116.273 -0.421 . . . . 71.12 111.139 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 61.1 t -58.64 -46.29 90.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.291 -0.413 . . . . 75.32 110.873 179.872 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -61.77 -37.63 85.04 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.046 0.451 . . . . 72.31 110.691 179.061 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 114' ' ' ARG . . . . . 0.505 ' HA ' HG21 ' A' ' 94' ' ' ILE . 20.7 ttm180 -62.63 -40.2 96.25 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.441 -0.8 . . . . 70.44 110.092 176.632 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 90.6 mt -66.89 -46.19 85.73 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.215 0 CA-C-N 116.041 -0.527 . . . . 63.53 111.27 177.396 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . 0.417 ' HB2' ' HA3' ' A' ' 105' ' ' GLY . 27.7 mt-10 -58.6 -42.99 89.38 Favored 'General case' 0 C--O 1.236 0.351 0 CA-C-O 121.097 0.475 . . . . 71.43 110.601 179.138 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . 0.571 ' HB1' HG12 ' A' ' 96' ' ' VAL . . . -62.18 -47.98 82.08 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.74 -0.664 . . . . 73.42 110.648 178.941 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . 0.515 ' O ' ' HG ' ' A' ' 122' ' ' LEU . . . -64.7 -35.46 81.13 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.933 -0.576 . . . . 72.0 111.444 -179.072 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -60.91 -34.76 75.17 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.14 0.495 . . . . 53.22 110.724 178.658 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 120' ' ' THR . . . . . 0.634 ' O ' ' HG2' ' A' ' 123' ' ' ARG . 21.3 m -74.41 -37.01 63.48 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.732 -0.667 . . . . 62.21 110.334 178.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -62.91 -45.17 93.77 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.204 -0.453 . . . . 74.01 110.341 176.583 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . 0.515 ' HG ' ' O ' ' A' ' 118' ' ' ALA . 36.2 mt -57.24 -49.95 74.43 Favored 'General case' 0 C--N 1.334 -0.105 0 CA-C-N 116.172 -0.467 . . . . 54.24 111.28 -179.916 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 123' ' ' ARG . . . . . 0.634 ' HG2' ' O ' ' A' ' 120' ' ' THR . 2.8 ptm180 -66.57 -14.4 62.31 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-N 116.114 -0.494 . . . . 73.41 111.048 -176.672 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 16.4 t -81.73 -29.12 33.03 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.324 -0.398 . . . . 63.04 110.352 175.767 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 125' ' ' PHE . . . . . 0.654 ' CZ ' ' HG3' ' A' ' 73' ' ' ARG . 43.0 m-85 -86.44 -58.53 2.58 Favored 'General case' 0 CA--C 1.518 -0.278 0 CA-C-O 121.01 0.433 . . . . 75.53 110.265 -179.468 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 126' ' ' ILE . . . . . 0.513 HD13 ' H ' ' A' ' 126' ' ' ILE . 0.2 OUTLIER . . . . . 0 C--N 1.322 -0.627 0 CA-C-O 121.352 0.596 . . . . 64.32 109.584 177.722 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . 0.695 ' ND2' HG22 ' A' ' 66' ' ' VAL . 27.2 p-10 . . . . . 0 N--CA 1.451 -0.395 0 CA-C-O 122.064 0.935 . . . . 55.02 112.178 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 26.4 p -70.84 -24.16 62.47 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 114.521 -1.218 . . . . 75.13 111.955 -176.565 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.695 HG22 ' ND2' ' A' ' 64' ' ' ASN . 1.0 OUTLIER -68.02 -30.54 48.49 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.164 0 CA-C-O 120.944 0.402 . . . . 75.42 110.118 -177.684 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -71.6 -42.69 67.41 Favored 'General case' 0 N--CA 1.452 -0.358 0 N-CA-C 109.09 -0.707 . . . . 60.32 109.09 175.092 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 74.3 mmm -54.62 -41.5 70.06 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.179 -0.919 . . . . 63.05 110.412 175.847 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.76 ' HB3' HD13 ' A' ' 76' ' ' LEU . 1.2 mt -64.18 -35.76 81.83 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.764 -0.653 . . . . 62.52 111.757 -178.934 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 22.1 m-80 -68.23 -24.81 64.96 Favored 'General case' 0 CA--C 1.516 -0.348 0 CA-C-O 121.451 0.643 . . . . 71.31 110.094 -177.909 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 23.9 mm-40 -79.78 -26.26 40.68 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.244 -0.889 . . . . 63.04 110.542 178.402 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 88.7 mt -88.44 -60.35 1.98 Allowed 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.838 -0.619 . . . . 74.3 111.325 -179.52 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 4.8 tpt180 -144.88 123.09 12.19 Favored 'General case' 0 N--CA 1.443 -0.776 0 CA-C-N 116.411 -0.358 . . . . 61.03 110.413 -172.27 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 7.6 p-80 -84.83 173.22 10.8 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 110.055 -0.35 . . . . 75.42 110.055 176.512 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 81.66 29.94 37.68 Favored Glycine 0 N--CA 1.444 -0.767 0 C-N-CA 120.276 -0.964 . . . . 42.13 110.812 -174.375 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.872 ' H ' HD23 ' A' ' 76' ' ' LEU . 1.6 pt? -97.71 92.04 5.68 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.454 0.645 . . . . 73.3 110.19 -178.753 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . 0.447 ' O ' ' HA ' ' A' ' 96' ' ' VAL . 4.5 mp -89.39 114.43 27.39 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.681 0 CA-C-N 116.104 -0.498 . . . . 74.54 110.722 -177.406 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . 0.461 ' CD1' ' HB ' ' A' ' 96' ' ' VAL . 93.3 m-85 -91.53 123.54 35.02 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.028 -0.533 . . . . 71.22 109.936 175.54 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 13.6 ptpt -133.47 138.75 46.31 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-O 120.906 0.384 . . . . 73.11 110.449 179.382 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 41.2 tp -79.3 104.22 9.77 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 109.198 -0.667 . . . . 74.44 109.198 176.068 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -92.23 -28.35 17.07 Favored 'General case' 0 C--N 1.325 -0.467 0 C-N-CA 120.507 -0.477 . . . . 71.51 111.483 -175.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 50.1 m -151.95 157.93 42.44 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 120.754 0.312 . . . . 75.22 110.914 -178.815 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . 0.516 ' NE2' ' HB2' ' A' ' 90' ' ' PRO . 23.2 tm0? -150.75 112.64 4.52 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 109.064 -0.717 . . . . 74.4 109.064 179.51 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . 0.488 ' O ' ' HB3' ' A' ' 91' ' ' LEU . 40.9 p -141.68 151.49 43.06 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.37 -0.377 . . . . 72.21 110.688 -175.132 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 138.92 -171.21 23.7 Favored Glycine 0 N--CA 1.449 -0.473 0 C-N-CA 120.085 -1.055 . . . . 75.33 112.944 173.381 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -73.77 169.23 22.86 Favored 'Trans proline' 0 N--CA 1.465 -0.187 0 C-N-CA 123.103 2.536 . . . . 71.15 112.094 179.048 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 10.0 p -81.4 -25.17 10.17 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-N 116.609 -0.269 . . . . 71.53 110.817 -179.134 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 41.1 p-80 -76.64 -35.26 58.12 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-O 120.8 0.334 . . . . 74.35 110.756 -179.425 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . 0.416 ' HB1' ' HD2' ' A' ' 108' ' ' ARG . . . -147.45 70.85 11.75 Favored Pre-proline 0 C--N 1.325 -0.46 0 CA-C-N 116.297 -0.41 . . . . 74.14 110.673 -179.355 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' PRO . . . . . 0.516 ' HB2' ' NE2' ' A' ' 83' ' ' GLN . 33.4 Cg_endo -67.27 146.23 74.9 Favored 'Trans proline' 0 N--CA 1.458 -0.577 0 C-N-CA 122.304 2.003 . . . . 62.24 112.021 -177.56 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.488 ' HB3' ' O ' ' A' ' 84' ' ' THR . 17.7 tp -98.19 134.07 41.75 Favored 'General case' 0 C--N 1.316 -0.864 0 CA-C-O 121.295 0.569 . . . . 41.44 110.149 -179.03 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.581 ' O ' ' HA ' ' A' ' 106' ' ' GLN . 15.0 m-85 -112.82 140.0 47.98 Favored 'General case' 0 C--N 1.312 -1.048 0 CA-C-N 115.491 -0.777 . . . . 74.23 109.05 -178.918 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . 0.475 HG22 HD11 ' A' ' 104' ' ' LEU . 15.5 m -118.66 98.99 6.51 Favored 'General case' 0 N--CA 1.444 -0.764 0 CA-C-O 121.225 0.536 . . . . 74.22 110.372 -175.468 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 6.4 mm -97.32 126.05 50.24 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.722 0 CA-C-N 115.244 -0.889 . . . . 75.12 109.928 -179.765 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . 0.541 ' HB2' ' HD3' ' A' ' 102' ' ' LYS . 0.3 OUTLIER -101.4 128.11 47.74 Favored 'General case' 0 C--N 1.313 -1.008 0 CA-C-N 115.951 -0.568 . . . . 33.53 109.845 174.664 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.513 HG12 ' HB1' ' A' ' 117' ' ' ALA . 7.5 p -118.97 124.68 73.59 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.869 0 CA-C-O 121.363 0.601 . . . . 72.23 109.966 177.651 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 24.2 tt0 -97.66 118.79 34.97 Favored 'General case' 0 C--N 1.311 -1.077 0 CA-C-N 115.634 -0.712 . . . . 74.42 109.346 177.909 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 15.5 t -121.63 116.02 48.23 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.671 0 CA-C-N 115.915 -0.584 . . . . 71.24 110.079 -177.288 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 21.7 t70 60.51 4.42 0.71 Allowed 'General case' 0 N--CA 1.469 0.501 0 CA-C-N 115.11 -0.95 . . . . 74.4 112.274 -176.659 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 122.35 -22.27 7.5 Favored Glycine 0 N--CA 1.447 -0.608 0 C-N-CA 120.894 -0.669 . . . . 71.34 112.044 -177.235 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 101' ' ' GLN . . . . . 0.502 ' HB3' ' CE1' ' A' ' 103' ' ' TYR . 9.7 tp60 -80.86 131.05 35.34 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 109.211 -0.662 . . . . 51.34 109.211 178.109 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . 0.541 ' HD3' ' HB2' ' A' ' 95' ' ' SER . 0.6 OUTLIER -100.63 112.13 24.47 Favored 'General case' 0 C--N 1.321 -0.667 0 C-N-CA 120.526 -0.47 . . . . 44.41 110.135 -178.098 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 103' ' ' TYR . . . . . 0.502 ' CE1' ' HB3' ' A' ' 101' ' ' GLN . 62.8 m-85 -101.04 158.32 16.1 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.66 -0.7 . . . . 75.25 109.695 179.688 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.475 HD11 HG22 ' A' ' 93' ' ' THR . 12.2 tp -123.21 147.61 46.7 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 120.891 0.377 . . . . 61.55 110.801 -178.111 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . 0.527 ' HA3' ' N ' ' A' ' 117' ' ' ALA . . . -144.48 132.93 5.0 Favored Glycine 0 N--CA 1.445 -0.702 0 C-N-CA 121.087 -0.577 . . . . 61.4 111.748 176.212 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . 0.581 ' HA ' ' O ' ' A' ' 92' ' ' PHE . 29.9 mt-30 -123.01 118.05 26.88 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.004 0.43 . . . . 73.23 110.955 -176.408 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -132.81 -174.99 13.78 Favored Glycine 0 C--O 1.223 -0.57 0 N-CA-C 111.674 -0.57 . . . . 63.15 111.674 -178.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . 0.416 ' HD2' ' HB1' ' A' ' 89' ' ' ALA . 23.9 mmt180 -89.33 6.07 42.17 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 117.206 0.503 . . . . 75.44 111.333 -176.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 74.0 m -164.76 169.3 16.93 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 108.762 -0.829 . . . . 73.3 108.762 179.482 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 93.8 mttt -60.08 -38.54 83.19 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 121.38 0.61 . . . . 73.53 109.804 178.899 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 33.7 tttp -59.63 -54.44 46.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.024 -0.989 . . . . 72.34 111.17 177.688 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 39.5 t -65.69 -42.92 93.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 115.809 -0.632 . . . . 75.34 110.875 -176.225 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -62.31 -39.38 92.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.243 -0.435 . . . . 44.45 111.065 -179.008 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 44.2 ttt180 -61.49 -41.34 97.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.772 -0.649 . . . . 62.42 110.063 178.202 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 115' ' ' ILE . . . . . 0.447 HG12 ' HB2' ' A' ' 64' ' ' ASN . 87.1 mt -67.02 -49.41 73.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 115.694 -0.684 . . . . 70.43 111.133 177.215 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -57.36 -35.12 69.54 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.767 0.318 . . . . 72.13 111.207 178.575 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . 0.527 ' N ' ' HA3' ' A' ' 105' ' ' GLY . . . -65.17 -46.37 81.1 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.126 0.489 . . . . 51.21 110.775 177.788 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . 0.536 ' O ' ' HG ' ' A' ' 122' ' ' LEU . . . -67.98 -29.79 68.9 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.783 -0.644 . . . . 42.31 111.287 -179.604 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -60.82 -42.19 97.2 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.111 0.481 . . . . 73.42 110.38 178.124 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 120' ' ' THR . . . . . 0.437 ' O ' ' HG2' ' A' ' 123' ' ' ARG . 18.7 m -63.63 -42.52 98.16 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.585 -0.734 . . . . 74.54 110.248 177.479 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -61.72 -48.92 78.58 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.731 -0.668 . . . . 54.52 111.058 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . 0.536 ' HG ' ' O ' ' A' ' 118' ' ' ALA . 55.9 mt -54.58 -48.81 71.65 Favored 'General case' 0 N--CA 1.462 0.142 0 CA-C-N 116.42 -0.355 . . . . 71.0 111.35 -177.829 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 123' ' ' ARG . . . . . 0.437 ' HG2' ' O ' ' A' ' 120' ' ' THR . 37.0 ptt180 -70.66 -14.48 62.48 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.241 -0.436 . . . . 64.31 111.118 -175.746 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 29.9 t -81.31 -26.41 35.69 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.282 -0.417 . . . . 62.23 110.299 175.868 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 78.6 m-85 -87.38 -55.41 3.81 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.742 0.305 . . . . 71.32 110.342 177.836 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 126' ' ' ILE . . . . . 0.477 HD13 ' H ' ' A' ' 126' ' ' ILE . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.326 0 CA-C-N 116.16 -0.473 . . . . 74.32 110.148 -179.518 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . 0.538 ' ND2' ' HB ' ' A' ' 66' ' ' VAL . 27.2 p-10 . . . . . 0 CA--C 1.518 -0.265 0 CA-C-O 121.825 0.821 . . . . 62.13 111.307 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 39.2 p -69.23 -21.15 63.95 Favored 'General case' 0 C--N 1.315 -0.929 0 CA-C-N 114.527 -1.215 . . . . 64.42 110.811 -178.861 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.538 ' HB ' ' ND2' ' A' ' 64' ' ' ASN . 50.0 t -59.85 -44.05 93.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 115.296 -0.865 . . . . 73.03 110.283 177.305 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.575 ' O ' ' HG2' ' A' ' 71' ' ' GLU . . . -65.99 -40.47 91.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.044 -0.525 . . . . 63.1 110.149 176.174 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' MET . . . . . 0.404 ' HB2' HD11 ' A' ' 122' ' ' LEU . 80.0 mmm -57.9 -42.17 84.14 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.666 -0.697 . . . . 71.11 111.382 178.622 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.853 ' HB3' HD13 ' A' ' 76' ' ' LEU . 1.2 mt -62.17 -35.92 80.29 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.279 -0.419 . . . . 71.23 110.993 -179.78 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . 0.404 ' ND2' HD11 ' A' ' 76' ' ' LEU . 25.3 m-80 -67.39 -24.27 65.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.127 0.489 . . . . 72.43 110.466 178.838 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.575 ' HG2' ' O ' ' A' ' 67' ' ' ALA . 4.2 mm-40 -80.18 -22.71 41.63 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.686 -0.688 . . . . 44.31 110.504 178.806 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 72.6 mt -99.38 -67.14 0.86 Allowed 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.939 -0.573 . . . . 70.03 112.075 -176.294 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 1.1 tpp180 -132.46 125.44 30.71 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.583 -0.281 . . . . 75.23 110.994 -170.172 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 20.0 p-80 -77.99 167.36 21.6 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.309 -0.405 . . . . 71.54 110.16 174.817 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 82.88 36.03 16.95 Favored Glycine 0 N--CA 1.445 -0.739 0 C-N-CA 120.238 -0.982 . . . . 70.43 110.99 -178.08 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.853 HD13 ' HB3' ' A' ' 69' ' ' LEU . 1.2 pt? -100.76 100.82 11.55 Favored 'General case' 0 N--CA 1.45 -0.432 0 CA-C-O 121.323 0.582 . . . . 74.1 110.072 179.023 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . 0.518 ' O ' ' HA ' ' A' ' 96' ' ' VAL . 4.8 mp -102.96 115.35 44.77 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 CA-C-N 115.879 -0.601 . . . . 73.32 110.552 -178.797 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . 0.417 ' CE2' HD12 ' A' ' 76' ' ' LEU . 86.9 m-85 -94.65 124.43 38.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.283 -0.417 . . . . 75.41 110.101 177.421 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 17.7 ptpt -135.72 143.29 45.28 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 116.293 -0.412 . . . . 75.2 110.611 179.015 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 49.3 tp -84.26 106.0 15.54 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 109.229 -0.656 . . . . 65.52 109.229 177.673 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -89.14 -29.7 19.15 Favored 'General case' 0 C--N 1.325 -0.494 0 C-N-CA 120.294 -0.562 . . . . 75.31 111.666 -175.865 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 57.7 m -153.5 146.66 24.66 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.89 0.376 . . . . 54.51 110.981 178.739 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 22.1 tm0? -143.57 116.62 8.89 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 109.279 -0.637 . . . . 71.34 109.279 176.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 23.3 p -142.37 144.7 33.27 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.4 -0.364 . . . . 61.21 110.852 -177.301 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 135.58 179.96 17.13 Favored Glycine 0 N--CA 1.448 -0.51 0 C-N-CA 120.043 -1.075 . . . . 61.54 113.389 173.361 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 58.7 Cg_endo -71.58 -176.95 2.2 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 123.565 2.843 . . . . 65.51 112.466 -179.455 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 33.8 m -93.66 -20.81 6.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-O 120.76 0.314 . . . . 73.34 111.005 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 35.2 p-80 -81.74 -23.01 36.95 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.354 -0.384 . . . . 55.44 110.25 178.812 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -158.89 76.35 3.29 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-N 116.156 -0.475 . . . . 74.44 110.769 178.767 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' PRO . . . . . 0.634 ' O ' ' HA ' ' A' ' 108' ' ' ARG . 5.8 Cg_exo -75.67 155.03 39.8 Favored 'Trans proline' 0 N--CA 1.458 -0.587 0 C-N-CA 122.482 2.121 . . . . 61.42 111.595 179.884 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.504 HD11 ' NE2' ' A' ' 106' ' ' GLN . 3.2 tm? -109.63 116.43 31.72 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-O 121.456 0.646 . . . . 72.02 109.723 176.226 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.428 ' O ' ' HA ' ' A' ' 106' ' ' GLN . 48.2 m-85 -103.04 134.5 46.38 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 115.065 -0.97 . . . . 74.5 109.317 177.631 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 18.6 m -118.19 101.63 8.37 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-O 121.023 0.439 . . . . 74.23 110.032 -179.263 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . 0.472 HG21 ' HA ' ' A' ' 114' ' ' ARG . 7.4 mm -99.29 129.2 50.12 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.755 0 CA-C-N 115.685 -0.689 . . . . 74.04 109.788 -179.52 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . 0.556 ' HB2' ' HD3' ' A' ' 102' ' ' LYS . 1.7 p -108.07 131.55 54.48 Favored 'General case' 0 C--N 1.312 -1.046 0 CA-C-N 116.126 -0.488 . . . . 74.44 110.143 175.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.612 HG12 ' HB1' ' A' ' 117' ' ' ALA . 7.9 p -123.68 124.12 68.68 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.897 0 CA-C-O 121.273 0.559 . . . . 62.42 109.73 176.202 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 14.0 tt0 -97.98 108.22 20.87 Favored 'General case' 0 N--CA 1.437 -1.088 0 N-CA-C 109.311 -0.625 . . . . 72.1 109.311 179.228 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . 0.55 ' C ' ' H ' ' A' ' 100' ' ' GLY . 21.3 t -112.42 125.01 69.65 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.001 0 CA-C-N 115.538 -0.755 . . . . 61.34 109.78 -175.596 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 14.0 t70 69.49 -31.19 0.2 Allowed 'General case' 0 N--CA 1.472 0.657 0 O-C-N 123.992 0.807 . . . . 63.44 111.567 -174.805 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 100' ' ' GLY . . . . . 0.55 ' H ' ' C ' ' A' ' 98' ' ' VAL . . . 146.68 -12.13 1.51 Allowed Glycine 0 C--N 1.304 -1.201 0 N-CA-C 110.871 -0.892 . . . . 73.42 110.871 -175.275 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 101' ' ' GLN . . . . . 0.508 ' HB3' ' CE1' ' A' ' 103' ' ' TYR . 13.5 tp60 -87.89 133.45 33.91 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 109.005 -0.739 . . . . 73.04 109.005 176.566 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . 0.556 ' HD3' ' HB2' ' A' ' 95' ' ' SER . 0.5 OUTLIER -96.5 109.65 22.18 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 121.101 0.477 . . . . 61.04 110.241 -178.179 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 103' ' ' TYR . . . . . 0.508 ' CE1' ' HB3' ' A' ' 101' ' ' GLN . 76.2 m-85 -97.11 156.65 16.29 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.647 -0.706 . . . . 74.01 109.564 -179.629 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 12.0 tp -124.81 141.93 51.78 Favored 'General case' 0 C--N 1.321 -0.632 0 C-N-CA 120.847 -0.341 . . . . 74.22 111.003 -176.294 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . 0.445 ' HA3' ' N ' ' A' ' 117' ' ' ALA . . . -135.43 130.49 5.42 Favored Glycine 0 N--CA 1.444 -0.803 0 N-CA-C 111.279 -0.729 . . . . 54.33 111.279 175.881 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . 0.504 ' NE2' HD11 ' A' ' 91' ' ' LEU . 29.0 mt-30 -121.77 123.85 42.8 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-O 120.811 0.339 . . . . 71.45 110.423 -176.858 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -145.86 -179.5 22.13 Favored Glycine 0 N--CA 1.448 -0.564 0 C-N-CA 120.956 -0.64 . . . . 65.22 112.062 -177.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . 0.634 ' HA ' ' O ' ' A' ' 90' ' ' PRO . 25.2 mmt180 -83.91 -3.38 57.89 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.748 0.309 . . . . 71.25 111.709 -177.848 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 109' ' ' SER . . . . . 0.472 ' HB2' HG23 ' A' ' 112' ' ' VAL . 16.0 m -151.32 164.21 37.17 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 109.029 -0.73 . . . . 61.13 109.029 -178.244 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -59.66 -37.34 78.45 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.845 0.355 . . . . 74.23 110.334 179.203 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 79.7 tttt -66.75 -51.47 55.52 Favored 'General case' 0 N--CA 1.452 -0.335 0 CA-C-N 115.935 -0.575 . . . . 63.52 110.684 179.872 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . 0.472 HG23 ' HB2' ' A' ' 109' ' ' SER . 21.8 t -55.64 -51.26 60.5 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 CA-C-N 116.131 -0.486 . . . . 73.12 110.321 179.599 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -60.35 -38.73 84.75 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.779 -0.646 . . . . 51.01 111.235 -178.718 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 114' ' ' ARG . . . . . 0.472 ' HA ' HG21 ' A' ' 94' ' ' ILE . 17.7 ttm180 -63.43 -45.81 89.21 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.014 -0.539 . . . . 71.2 110.443 178.845 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 71.7 mt -62.76 -46.54 96.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-N 115.742 -0.663 . . . . 75.32 111.402 176.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -59.58 -37.93 79.82 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.824 0.345 . . . . 54.42 111.429 178.684 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . 0.612 ' HB1' HG12 ' A' ' 96' ' ' VAL . . . -62.62 -47.16 84.97 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.044 0.449 . . . . 41.44 110.733 176.858 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . 0.499 ' O ' ' HG ' ' A' ' 122' ' ' LEU . . . -66.45 -33.52 75.88 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.587 -0.733 . . . . 51.25 111.098 179.65 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -61.68 -42.11 98.48 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.296 -0.411 . . . . 53.33 110.882 179.386 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 120' ' ' THR . . . . . 0.936 ' HA ' ' HE ' ' A' ' 123' ' ' ARG . 62.7 m -66.94 -35.3 79.67 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.106 -0.497 . . . . 64.15 110.6 178.111 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -63.9 -45.83 87.55 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.149 -0.478 . . . . 74.34 110.467 176.48 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . 0.499 ' HG ' ' O ' ' A' ' 118' ' ' ALA . 62.4 mt -58.23 -51.72 68.56 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-N 116.33 -0.395 . . . . 51.5 111.253 -179.902 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 123' ' ' ARG . . . . . 0.936 ' HE ' ' HA ' ' A' ' 120' ' ' THR . 20.0 ptt180 -70.26 -9.43 55.9 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.207 -0.451 . . . . 71.12 111.595 -176.568 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 13.2 t -82.15 -28.82 31.94 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 109.252 -0.648 . . . . 74.43 109.252 174.255 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 29.6 m-85 -84.44 -55.17 4.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.722 -0.672 . . . . 73.43 110.073 179.731 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 126' ' ' ILE . . . . . 0.502 HD13 ' H ' ' A' ' 126' ' ' ILE . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.468 0 CA-C-O 121.258 0.551 . . . . 74.21 110.653 -179.862 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . 0.514 ' ND2' ' HB ' ' A' ' 66' ' ' VAL . 21.0 p-10 . . . . . 0 N--CA 1.452 -0.375 0 CA-C-O 121.793 0.806 . . . . 72.12 110.672 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 0.415 ' OG1' ' HB3' ' A' ' 118' ' ' ALA . 36.0 p -63.07 -21.81 66.42 Favored 'General case' 0 C--N 1.316 -0.855 0 CA-C-N 114.522 -1.217 . . . . 61.32 111.1 -179.125 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.514 ' HB ' ' ND2' ' A' ' 64' ' ' ASN . 48.3 t -61.86 -44.03 98.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 115.33 -0.85 . . . . 63.11 110.888 178.644 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -66.55 -38.99 88.32 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.203 0.525 . . . . 53.13 109.961 177.582 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 78.4 mmm -59.19 -42.46 90.92 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.336 -0.847 . . . . 72.41 110.662 178.35 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.733 ' HB3' HD13 ' A' ' 76' ' ' LEU . 3.2 mt -62.39 -36.95 83.91 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.768 -0.651 . . . . 71.31 111.384 179.179 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 25.5 m-80 -67.31 -21.63 65.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.33 -0.395 . . . . 62.42 110.999 -179.619 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 27.4 mt-10 -81.93 -27.09 33.52 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.867 0.365 . . . . 62.33 110.607 176.835 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 98.3 mt -87.01 -55.89 3.62 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.195 -0.457 . . . . 71.24 111.433 -176.734 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 30.7 mmt180 -137.39 177.38 7.91 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.96 0.41 . . . . 74.4 111.032 -175.579 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 29.0 p-80 -126.8 169.95 12.69 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.78 -0.645 . . . . 73.1 109.492 175.713 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 79.9 20.43 68.0 Favored Glycine 0 N--CA 1.449 -0.483 0 C-N-CA 120.791 -0.719 . . . . 75.23 111.902 -179.855 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.909 ' H ' HD23 ' A' ' 76' ' ' LEU . 0.9 OUTLIER -78.92 95.42 5.44 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.353 0.597 . . . . 71.3 110.596 -179.216 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . 0.58 ' O ' ' HA ' ' A' ' 96' ' ' VAL . 4.7 mt -88.14 111.83 22.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 115.702 -0.681 . . . . 75.35 111.138 -178.261 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . 0.464 ' CE2' HD12 ' A' ' 76' ' ' LEU . 97.1 m-85 -91.96 116.0 28.55 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 109.842 -0.429 . . . . 71.34 109.842 173.527 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 27.2 pttt -132.79 142.49 49.02 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 115.974 -0.557 . . . . 70.31 110.291 -179.066 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.525 HD22 ' HE2' ' A' ' 110' ' ' LYS . 36.9 tp -83.52 104.63 13.81 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 109.419 -0.586 . . . . 61.44 109.419 177.787 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -88.21 -36.78 16.59 Favored 'General case' 0 C--N 1.321 -0.643 0 C-N-CA 120.414 -0.514 . . . . 53.14 111.163 -176.762 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . 0.514 ' HB2' ' HB ' ' A' ' 93' ' ' THR . 19.4 m -139.26 152.09 47.01 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.394 -0.366 . . . . 71.32 110.865 -175.568 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 19.1 tm0? -157.06 125.75 5.77 Favored 'General case' 0 C--O 1.235 0.295 0 N-CA-C 110.072 -0.344 . . . . 71.33 110.072 179.162 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 3.3 p -150.03 -163.93 1.9 Allowed 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.905 -0.589 . . . . 62.14 109.903 178.896 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 105.45 174.67 24.11 Favored Glycine 0 N--CA 1.453 -0.197 0 C-N-CA 120.653 -0.784 . . . . 60.25 113.385 170.422 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo -70.98 173.64 11.76 Favored 'Trans proline' 0 C--N 1.345 0.358 0 C-N-CA 123.318 2.679 . . . . 74.54 112.024 178.182 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 33.8 m -85.48 -19.78 8.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 C-N-CA 120.878 -0.329 . . . . 63.44 111.558 -178.824 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 39.5 p-80 -80.88 -29.26 35.72 Favored 'General case' 0 C--N 1.331 -0.234 0 C-N-CA 120.884 -0.327 . . . . 62.32 110.257 178.014 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . 0.5 ' HB1' ' HD2' ' A' ' 108' ' ' ARG . . . -156.61 77.82 4.13 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 116.441 -0.345 . . . . 72.52 110.634 -179.151 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' PRO . . . . . 0.607 ' O ' ' HA ' ' A' ' 108' ' ' ARG . 3.3 Cg_exo -70.49 160.28 50.04 Favored 'Trans proline' 0 N--CA 1.455 -0.778 0 C-N-CA 121.866 1.71 . . . . 71.31 111.938 -178.271 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.482 HD21 ' HB3' ' A' ' 106' ' ' GLN . 3.2 tm? -106.01 118.28 36.2 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-N 115.891 -0.595 . . . . 50.33 109.628 -179.631 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 52.7 m-85 -105.67 137.11 44.07 Favored 'General case' 0 C--N 1.315 -0.893 0 CA-C-N 115.417 -0.81 . . . . 72.33 109.454 179.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . 0.514 ' HB ' ' HB2' ' A' ' 82' ' ' SER . 18.5 m -119.81 99.89 6.91 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 121.189 0.518 . . . . 73.41 110.164 -177.653 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . 0.559 HG21 ' HA ' ' A' ' 114' ' ' ARG . 5.3 mm -96.23 130.42 44.93 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.739 0 CA-C-N 115.413 -0.812 . . . . 72.23 109.816 179.609 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . 0.629 ' HB2' ' HD3' ' A' ' 102' ' ' LYS . 2.6 p -107.28 133.69 51.46 Favored 'General case' 0 C--N 1.312 -1.044 0 CA-C-N 115.908 -0.587 . . . . 41.52 109.531 175.646 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.58 ' HA ' ' O ' ' A' ' 77' ' ' ILE . 7.2 p -120.48 125.16 73.83 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.816 0 CA-C-O 121.368 0.604 . . . . 72.35 109.794 178.217 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 21.4 tt0 -99.8 115.57 29.86 Favored 'General case' 0 C--N 1.311 -1.077 0 CA-C-N 115.541 -0.754 . . . . 70.32 109.585 -178.84 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 21.9 t -132.59 121.48 45.22 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.841 0 CA-C-N 116.039 -0.528 . . . . 72.21 110.342 -175.854 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 34.1 t70 61.69 14.44 6.1 Favored 'General case' 0 N--CA 1.469 0.514 0 CA-C-O 121.524 0.678 . . . . 72.11 111.031 179.311 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 103.7 -12.65 53.7 Favored Glycine 0 N--CA 1.449 -0.496 0 C-N-CA 120.735 -0.745 . . . . 62.32 112.144 -178.545 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 17.4 mm-40 -90.79 131.23 36.57 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.914 0.387 . . . . 74.21 110.554 178.838 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . 0.629 ' HD3' ' HB2' ' A' ' 95' ' ' SER . 0.7 OUTLIER -101.41 105.04 16.02 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-N 115.868 -0.606 . . . . 72.02 110.135 -178.108 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 72.3 m-85 -95.42 156.89 16.13 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.559 -0.746 . . . . 74.13 110.006 -178.544 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.404 HD11 HG22 ' A' ' 93' ' ' THR . 11.4 tp -124.51 142.67 51.16 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.039 0.447 . . . . 73.44 111.44 -175.921 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . 0.501 ' HA3' ' N ' ' A' ' 117' ' ' ALA . . . -138.21 130.88 5.17 Favored Glycine 0 N--CA 1.447 -0.615 0 CA-C-N 115.835 -0.62 . . . . 44.05 111.648 175.825 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . 0.482 ' HB3' HD21 ' A' ' 91' ' ' LEU . 30.3 mt-30 -115.64 130.78 56.99 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 120.812 0.339 . . . . 74.22 110.927 -178.374 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -150.63 177.03 28.94 Favored Glycine 0 N--CA 1.449 -0.469 0 C-N-CA 121.02 -0.61 . . . . 72.41 111.985 -178.199 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . 0.607 ' HA ' ' O ' ' A' ' 90' ' ' PRO . 31.6 mmt180 -88.48 6.44 37.71 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.954 0.407 . . . . 53.33 111.494 -177.492 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 50.9 m -160.21 164.56 32.7 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 108.707 -0.849 . . . . 71.53 108.707 177.821 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . 0.525 ' HE2' HD22 ' A' ' 80' ' ' LEU . 94.8 mttt -62.08 -30.97 71.37 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 121.284 0.564 . . . . 64.42 109.826 178.18 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 69.3 tttt -60.89 -55.8 28.74 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.2 -0.909 . . . . 71.24 110.881 176.796 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . 0.495 ' O ' ' HG2' ' A' ' 116' ' ' GLU . 21.4 t -61.6 -49.21 85.3 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 115.903 -0.589 . . . . 61.52 110.476 -177.651 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -58.95 -36.63 75.12 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.696 -0.684 . . . . 65.11 111.836 -175.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 114' ' ' ARG . . . . . 0.559 ' HA ' HG21 ' A' ' 94' ' ' ILE . 18.0 ttm180 -63.42 -45.3 91.6 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 121.047 0.451 . . . . 72.21 110.389 178.488 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 61.6 mt -65.94 -45.71 90.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.032 -0.531 . . . . 72.53 110.98 178.205 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . 0.495 ' HG2' ' O ' ' A' ' 112' ' ' VAL . 39.0 mm-40 -58.88 -36.87 75.36 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.493 -0.321 . . . . 75.32 111.597 178.366 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . 0.501 ' N ' ' HA3' ' A' ' 105' ' ' GLY . . . -63.81 -46.72 83.84 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.01 0.433 . . . . 72.32 110.75 177.928 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . 0.494 ' O ' ' HG ' ' A' ' 122' ' ' LEU . . . -66.4 -30.17 70.48 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.765 -0.652 . . . . 74.22 111.103 -179.837 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -59.76 -46.34 89.47 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.289 -0.414 . . . . 51.43 110.79 176.653 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 120' ' ' THR . . . . . 0.473 ' O ' ' HG2' ' A' ' 123' ' ' ARG . 37.2 m -61.35 -38.83 88.35 Favored 'General case' 0 C--O 1.234 0.237 0 CA-C-O 121.296 0.57 . . . . 74.21 110.548 176.876 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -62.39 -51.39 67.78 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.793 -0.639 . . . . 73.1 110.915 179.179 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . 0.494 ' HG ' ' O ' ' A' ' 118' ' ' ALA . 58.7 mt -53.73 -47.65 70.39 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.299 -0.41 . . . . 73.53 111.618 -177.526 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 123' ' ' ARG . . . . . 0.473 ' HG2' ' O ' ' A' ' 120' ' ' THR . 4.9 ptp180 -68.41 -19.87 64.63 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.759 0.314 . . . . 73.25 111.401 -175.946 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 26.2 t -78.68 -24.31 45.14 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.652 0.263 . . . . 71.52 110.375 176.465 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 82.3 m-85 -85.96 -55.87 3.74 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 109.828 -0.434 . . . . 60.12 109.828 176.085 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 126' ' ' ILE . . . . . 0.444 HD13 ' H ' ' A' ' 126' ' ' ILE . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.464 0 CA-C-O 121.175 0.512 . . . . 64.2 110.629 178.532 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 6.8 m . . . . . 0 N--CA 1.476 0.872 0 N-CA-C 110.236 -0.283 . . . . 72.43 110.236 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.623 ' HB3' ' HE2' ' A' ' 51' ' ' LYS . 62.3 m-20 65.67 90.55 0.09 OUTLIER Pre-proline 0 C--O 1.235 0.302 0 CA-C-N 116.019 -0.537 . . . . 63.21 110.957 179.851 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 57.6 Cg_endo -76.63 94.73 1.04 Allowed 'Trans proline' 0 N--CA 1.459 -0.531 0 C-N-CA 122.344 2.03 . . . . 65.42 111.248 175.293 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.623 ' HE2' ' HB3' ' A' ' 49' ' ' ASP . 73.1 mmtt -82.37 99.39 9.36 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.265 0.555 . . . . 53.23 111.449 -176.004 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 60.0 tttp -66.71 103.27 1.06 Allowed 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.012 -0.994 . . . . 74.41 109.679 174.889 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 31.9 mtmm -93.41 -23.58 18.36 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 116.07 -0.514 . . . . 72.51 110.82 -175.848 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' MET . . . . . 0.712 ' HG3' ' HG2' ' A' ' 57' ' ' GLU . 39.9 tpp -78.75 115.43 18.44 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.876 -0.602 . . . . 54.11 110.813 -179.607 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 8.0 p -121.24 10.06 10.55 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.932 -0.576 . . . . 70.02 110.787 178.902 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.494 ' HB2' ' SD ' ' A' ' 54' ' ' MET . 13.9 mptt -89.79 -10.98 43.5 Favored 'General case' 0 N--CA 1.462 0.149 0 CA-C-N 116.215 -0.448 . . . . 73.41 110.451 179.358 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.712 ' HG2' ' HG3' ' A' ' 54' ' ' MET . 7.0 pt-20 -82.98 129.6 35.05 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 109.391 -0.596 . . . . 73.32 109.391 175.166 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 12.7 mmt180 -87.97 -44.41 11.03 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 116.003 -0.544 . . . . 73.04 111.386 -170.487 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 40.1 mm 53.95 73.77 0.86 Allowed Pre-proline 0 C--O 1.235 0.335 0 N-CA-C 108.231 -1.025 . . . . 71.5 108.231 -168.627 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 38.6 Cg_exo -60.92 99.91 0.16 Allowed 'Trans proline' 0 C--N 1.344 0.319 0 C-N-CA 123.256 2.637 . . . . 73.02 113.303 -170.219 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 49.1 mt-30 -142.28 86.13 10.27 Favored Pre-proline 0 C--N 1.324 -0.519 0 CA-C-N 115.297 -0.865 . . . . 70.31 109.72 176.852 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 11.5 Cg_exo -72.36 -170.89 0.63 Allowed 'Trans proline' 0 N--CA 1.463 -0.28 0 C-N-CA 122.968 2.446 . . . . 62.54 111.329 174.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 61.0 mttm 67.54 22.63 9.16 Favored 'General case' 0 N--CA 1.467 0.42 0 CA-C-O 121.785 0.803 . . . . 61.41 109.721 -177.741 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . 0.542 ' ND2' HG22 ' A' ' 66' ' ' VAL . 9.2 p-10 -87.33 145.99 26.11 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 114.608 -1.178 . . . . 64.21 110.913 -178.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 24.1 p -61.16 -28.32 69.04 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 114.856 -1.066 . . . . 74.14 112.468 -175.049 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.542 HG22 ' ND2' ' A' ' 64' ' ' ASN . 1.9 m -65.39 -29.95 48.74 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.148 0 CA-C-O 121.032 0.444 . . . . 75.42 110.283 -177.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.435 ' O ' ' HG2' ' A' ' 71' ' ' GLU . . . -73.26 -39.44 65.42 Favored 'General case' 0 N--CA 1.451 -0.412 0 N-CA-C 109.417 -0.586 . . . . 52.22 109.417 176.851 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 69.0 mmm -57.46 -46.52 83.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.116 -0.947 . . . . 72.22 110.651 176.562 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -59.18 -36.75 75.88 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.925 -0.579 . . . . 63.21 111.436 179.684 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 23.4 m-80 -70.56 -19.99 62.83 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.021 0.438 . . . . 72.25 110.711 -178.347 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.435 ' HG2' ' O ' ' A' ' 67' ' ' ALA . 5.7 mm-40 -84.52 -20.96 30.76 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.899 -0.591 . . . . 74.2 110.412 176.921 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 85.1 mt -90.88 -71.79 0.61 Allowed 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.816 -0.629 . . . . 74.32 111.377 -178.491 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 28.8 mmm180 -128.9 139.35 52.17 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.266 -0.424 . . . . 74.11 110.837 -172.529 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 5.0 p-80 -93.38 172.3 8.37 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 109.407 -0.59 . . . . 71.34 109.407 173.28 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 89.55 10.88 64.88 Favored Glycine 0 N--CA 1.447 -0.631 0 C-N-CA 120.506 -0.854 . . . . 72.31 111.058 -176.868 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.821 ' H ' HD23 ' A' ' 76' ' ' LEU . 2.0 pt? -84.99 117.45 23.98 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.219 0.533 . . . . 74.13 110.356 -178.931 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.579 ' O ' ' HA ' ' A' ' 96' ' ' VAL . 3.8 mp -109.21 110.95 34.0 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 CA-C-N 116.105 -0.498 . . . . 73.15 110.573 179.69 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . 0.453 ' CD1' ' HG3' ' A' ' 114' ' ' ARG . 98.8 m-85 -88.46 108.96 19.65 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 109.862 -0.421 . . . . 74.15 109.862 174.132 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 30.8 pttt -127.56 134.9 49.71 Favored 'General case' 0 C--N 1.316 -0.878 0 CA-C-N 116.028 -0.533 . . . . 71.42 110.571 -176.119 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 45.1 tp -78.92 97.48 6.03 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 109.318 -0.623 . . . . 74.21 109.318 178.093 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -78.41 -28.73 46.89 Favored 'General case' 0 C--N 1.325 -0.476 0 C-N-CA 120.606 -0.437 . . . . 72.24 111.328 -174.446 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 49.1 m -152.46 142.82 22.55 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 120.679 0.276 . . . . 70.21 110.342 178.784 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 22.7 tm0? -131.67 124.05 29.05 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 109.445 -0.576 . . . . 73.51 109.445 176.782 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 9.5 p -146.83 -163.51 1.77 Allowed 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.918 -0.583 . . . . 64.1 110.176 -176.718 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 102.3 176.63 27.57 Favored Glycine 0 N--CA 1.449 -0.489 0 C-N-CA 121.078 -0.582 . . . . 40.22 113.086 170.753 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 62.9 Cg_endo -72.4 -173.6 1.18 Allowed 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 123.124 2.549 . . . . 74.02 112.091 175.367 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 14.1 p -95.92 -26.72 4.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-O 121.089 0.471 . . . . 61.31 110.252 178.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 43.7 p-80 -76.38 -23.16 54.08 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.02 -0.536 . . . . 65.45 110.352 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.428 ' HB1' ' HD2' ' A' ' 108' ' ' ARG . . . -165.62 75.91 1.3 Allowed Pre-proline 0 C--N 1.331 -0.211 0 CA-C-N 116.189 -0.459 . . . . 64.34 110.458 179.627 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . 0.669 ' O ' ' HA ' ' A' ' 108' ' ' ARG . 7.1 Cg_exo -65.39 164.62 25.21 Favored 'Trans proline' 0 N--CA 1.46 -0.496 0 C-N-CA 122.132 1.888 . . . . 62.33 112.168 -176.649 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.415 HD11 ' HB3' ' A' ' 106' ' ' GLN . 2.7 tm? -111.81 114.05 26.78 Favored 'General case' 0 C--N 1.317 -0.806 0 N-CA-C 109.309 -0.626 . . . . 71.41 109.309 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.451 ' O ' ' HA ' ' A' ' 106' ' ' GLN . 25.4 m-85 -103.76 133.22 49.11 Favored 'General case' 0 C--N 1.315 -0.928 0 CA-C-N 115.101 -0.954 . . . . 74.13 109.198 179.327 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . 0.429 HG22 HD11 ' A' ' 104' ' ' LEU . 37.8 m -115.45 101.07 8.56 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-O 121.214 0.531 . . . . 64.04 110.291 -177.471 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 0.484 HG21 ' HA ' ' A' ' 114' ' ' ARG . 6.5 mm -97.35 128.74 48.34 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.717 0 CA-C-N 115.409 -0.814 . . . . 72.24 110.1 -179.726 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . 0.579 ' CB ' ' HD3' ' A' ' 102' ' ' LYS . 2.3 p -109.79 122.7 48.1 Favored 'General case' 0 C--N 1.311 -1.095 0 CA-C-N 115.717 -0.674 . . . . 60.35 110.034 177.081 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.579 ' HA ' ' O ' ' A' ' 77' ' ' ILE . 11.8 p -110.73 124.17 67.28 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.846 0 CA-C-O 121.368 0.604 . . . . 55.24 109.71 174.263 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 22.2 tt0 -100.57 116.69 33.08 Favored 'General case' 0 C--N 1.314 -0.969 0 CA-C-N 115.799 -0.637 . . . . 74.02 109.47 179.743 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 17.9 t -130.87 122.5 52.29 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.7 0 CA-C-N 116.027 -0.533 . . . . 72.31 110.301 -177.163 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 55.43 25.3 7.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.233 -0.894 . . . . 72.42 112.309 178.538 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 96.31 -4.98 65.03 Favored Glycine 0 N--CA 1.449 -0.465 0 C-N-CA 120.803 -0.713 . . . . 34.42 112.925 177.83 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' GLN . . . . . 0.477 ' HA ' ' NE2' ' A' ' 101' ' ' GLN . 10.3 mm-40 -106.27 124.95 50.38 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-O 121.075 0.464 . . . . 62.22 110.641 177.438 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . 0.579 ' HD3' ' CB ' ' A' ' 95' ' ' SER . 3.2 tmmm? -92.58 114.03 26.46 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 115.58 -0.736 . . . . 64.55 109.618 -179.606 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 59.6 m-85 -100.3 134.38 43.31 Favored 'General case' 0 C--N 1.316 -0.886 0 CA-C-N 115.655 -0.702 . . . . 74.34 109.16 177.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.429 HD11 HG22 ' A' ' 93' ' ' THR . 13.2 tp -109.01 140.34 42.66 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 120.803 0.335 . . . . 55.1 111.005 -173.362 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . 0.41 ' HA3' ' N ' ' A' ' 117' ' ' ALA . . . -135.38 130.24 5.34 Favored Glycine 0 N--CA 1.445 -0.748 0 N-CA-C 111.281 -0.728 . . . . 71.05 111.281 177.091 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . 0.451 ' HA ' ' O ' ' A' ' 92' ' ' PHE . 32.1 mt-30 -122.23 112.43 18.16 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 121.167 0.508 . . . . 75.22 110.932 -176.328 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -132.71 -176.48 14.43 Favored Glycine 0 N--CA 1.447 -0.592 0 C-N-CA 120.879 -0.677 . . . . 74.21 111.657 -176.827 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . 0.669 ' HA ' ' O ' ' A' ' 90' ' ' PRO . 11.1 mmt180 -90.11 6.75 41.16 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.166 0.508 . . . . 75.01 111.186 -176.31 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 61.4 m -161.85 161.55 29.01 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 108.788 -0.819 . . . . 72.32 108.788 178.228 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 94.5 mttt -52.59 -42.98 65.02 Favored 'General case' 0 N--CA 1.467 0.419 0 CA-C-O 121.194 0.521 . . . . 70.22 110.613 177.529 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 42.1 tttp -61.59 -53.22 59.17 Favored 'General case' 0 N--CA 1.452 -0.333 0 CA-C-N 115.254 -0.885 . . . . 64.45 110.881 -177.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 22.0 t -57.83 -49.68 80.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 115.819 -0.628 . . . . 62.22 110.954 178.714 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -60.49 -38.08 83.15 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.067 -0.515 . . . . 64.42 111.279 -178.015 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' ARG . . . . . 0.493 ' HG2' HG11 ' A' ' 66' ' ' VAL . 40.0 ttm180 -62.94 -46.81 86.02 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.938 -0.574 . . . . 70.23 110.135 178.786 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 79.6 mt -56.09 -50.04 72.39 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.484 0 CA-C-N 115.623 -0.717 . . . . 73.23 111.172 174.281 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -56.78 -41.58 77.92 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.943 0.402 . . . . 51.15 111.416 -179.238 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . 0.552 ' HB1' HG12 ' A' ' 96' ' ' VAL . . . -62.14 -45.83 91.71 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.168 0.508 . . . . 34.41 111.046 179.61 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . 0.557 ' O ' ' HG ' ' A' ' 122' ' ' LEU . . . -69.14 -30.43 68.67 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.685 -0.689 . . . . 61.33 111.625 -176.771 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -59.78 -47.76 84.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.041 0.448 . . . . 61.11 110.605 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 25.8 m -58.84 -40.77 85.2 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.809 -0.632 . . . . 72.03 110.598 177.484 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -63.27 -42.15 99.1 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.832 -0.622 . . . . 51.54 111.226 -179.257 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . 0.557 ' HG ' ' O ' ' A' ' 118' ' ' ALA . 65.7 mt -57.77 -51.63 68.78 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.296 -0.411 . . . . 64.32 111.329 -177.085 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 2.5 ptm180 -68.31 -17.73 64.34 Favored 'General case' 0 CA--C 1.533 0.293 0 CA-C-O 121.125 0.488 . . . . 71.35 110.556 -176.707 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 22.8 t -72.86 -30.09 63.71 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.172 -0.467 . . . . 60.32 110.505 176.615 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 62.9 m-85 -89.28 -64.05 1.2 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.047 0.451 . . . . 74.01 110.332 179.511 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 126' ' ' ILE . . . . . 0.588 HD13 ' H ' ' A' ' 126' ' ' ILE . 0.2 OUTLIER -111.89 138.32 41.13 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-O 121.325 0.583 . . . . 60.11 109.827 178.77 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 127' ' ' GLN . . . . . 0.582 HE22 ' HB3' ' A' ' 130' ' ' ASP . 24.2 tp60 -143.49 103.81 4.15 Favored 'General case' 0 C--N 1.314 -0.943 0 CA-C-N 115.559 -0.746 . . . . 74.14 110.306 -172.779 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 21.4 m-85 -85.53 -168.44 2.23 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 115.155 -0.93 . . . . 74.12 109.126 178.078 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 15.6 tppt? -75.72 66.32 2.01 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.882 0.848 . . . . 74.54 109.858 176.409 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 130' ' ' ASP . . . . . 0.582 ' HB3' HE22 ' A' ' 127' ' ' GLN . 4.2 t70 -88.39 -57.63 2.85 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 114.769 -1.105 . . . . 73.12 109.45 176.917 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 48.93 32.45 11.65 Favored Glycine 0 CA--C 1.518 0.23 0 CA-C-N 115.039 -0.982 . . . . 61.13 113.657 179.323 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -86.18 136.35 33.23 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 117.179 0.489 . . . . 70.01 110.824 -178.413 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 28.3 m -93.56 17.71 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 115.871 -0.604 . . . . 52.44 110.439 -178.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 4.7 tt -80.38 87.79 5.61 Favored 'General case' 0 C--N 1.32 -0.691 0 N-CA-C 108.444 -0.947 . . . . 62.31 108.444 177.719 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 31.2 m -153.02 100.42 2.69 Favored Pre-proline 0 C--N 1.322 -0.629 0 CA-C-N 115.728 -0.669 . . . . 70.02 109.848 -178.486 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 136' ' ' PRO . . . . . . . . . . . . . 16.0 Cg_exo -68.11 111.43 2.46 Favored 'Trans proline' 0 N--CA 1.462 -0.342 0 C-N-CA 122.745 2.297 . . . . 73.11 111.763 -179.879 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 91.8 mt -96.82 90.53 5.28 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 116.124 -0.489 . . . . 72.53 110.423 178.884 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 48.8 mtmt 53.23 75.06 0.67 Allowed Pre-proline 0 N--CA 1.464 0.257 0 CA-C-N 115.553 -0.748 . . . . 74.13 111.878 -178.357 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 58.4 Cg_endo -90.04 102.88 0.32 Allowed 'Trans proline' 0 N--CA 1.451 -0.988 0 C-N-CA 122.835 2.357 . . . . 63.22 112.211 179.765 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.046 0 CA-C-O 118.298 -0.858 . . . . 38.56 110.438 179.568 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 19.3 t . . . . . 0 N--CA 1.475 0.779 0 N-CA-C 109.883 -0.414 . . . . 71.21 109.883 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.4 ' HA ' ' HD3' ' A' ' 50' ' ' PRO . 23.3 t70 -81.01 113.48 41.13 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.356 -0.383 . . . . 61.01 110.227 -179.896 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.4 ' HD3' ' HA ' ' A' ' 49' ' ' ASP . 90.1 Cg_endo -88.88 89.69 0.42 Allowed 'Trans proline' 0 N--CA 1.452 -0.925 0 C-N-CA 122.971 2.448 . . . . 61.42 113.174 -174.402 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.41 ' HD3' ' HA ' ' A' ' 51' ' ' LYS . 15.8 mmtp -88.88 91.83 8.98 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 121.264 0.554 . . . . 54.11 110.416 174.849 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.56 ' HA ' ' HE2' ' A' ' 52' ' ' LYS . 9.9 mmpt? -75.29 133.16 41.37 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.176 -0.92 . . . . 60.21 109.507 178.849 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 46.9 mtpt -93.95 133.53 37.29 Favored 'General case' 0 C--N 1.32 -0.708 0 N-CA-C 109.705 -0.48 . . . . 65.14 109.705 177.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 64.4 mtt -104.72 125.57 50.93 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.171 0.51 . . . . 73.44 111.305 -175.497 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 67.2 m -121.2 112.86 19.17 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.61 -0.723 . . . . 74.22 109.908 174.411 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 3.1 tppp? -111.26 20.26 17.51 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 122.183 0.992 . . . . 74.14 108.564 178.106 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.4 ' CD ' HH22 ' A' ' 114' ' ' ARG . 38.1 tt0 -132.4 134.48 45.19 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 114.622 -1.172 . . . . 72.01 110.293 -176.853 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 61.7 ttt180 -118.76 128.66 54.7 Favored 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 109.925 -0.398 . . . . 64.15 109.925 174.406 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 69.2 mt -78.58 123.54 85.5 Favored Pre-proline 0 C--N 1.321 -0.663 0 CA-C-N 116.301 -0.409 . . . . 63.02 110.053 179.501 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_exo -53.66 124.99 17.15 Favored 'Trans proline' 0 C--O 1.235 0.334 0 C-N-CA 122.728 2.285 . . . . 74.23 112.016 178.836 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . 0.545 ' N ' ' HD2' ' A' ' 62' ' ' PRO . 53.1 mt-30 -77.71 -44.41 2.45 Favored Pre-proline 0 C--N 1.325 -0.488 0 CA-C-N 115.578 -0.737 . . . . 73.21 112.688 -176.71 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . 0.545 ' HD2' ' N ' ' A' ' 61' ' ' GLN . 37.0 Cg_endo -66.19 178.31 2.58 Favored 'Trans proline' 0 C--N 1.354 0.825 0 C-N-CA 121.695 1.597 . . . . 75.33 112.409 175.237 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 29.0 mmmt -71.2 83.36 0.73 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.206 0.527 . . . . 61.2 110.748 176.73 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . 0.667 ' ND2' ' HB ' ' A' ' 66' ' ' VAL . 11.9 p-10 -75.22 149.86 38.78 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.29 -0.868 . . . . 55.12 110.563 177.089 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 32.5 p -57.24 -29.33 63.7 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.226 -0.897 . . . . 61.33 110.853 178.272 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.667 ' HB ' ' ND2' ' A' ' 64' ' ' ASN . 29.6 t -56.66 -48.31 80.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 115.257 -0.883 . . . . 64.43 110.599 176.888 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.567 ' O ' ' HG3' ' A' ' 71' ' ' GLU . . . -65.86 -36.79 84.43 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.942 -0.572 . . . . 74.34 110.271 178.798 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' MET . . . . . 0.475 ' HB2' HD11 ' A' ' 122' ' ' LEU . 70.9 mmm -59.49 -45.38 91.85 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.746 -0.661 . . . . 72.34 110.752 177.68 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.58 ' HB3' HD13 ' A' ' 76' ' ' LEU . 1.1 mt -62.32 -33.35 74.51 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.924 -0.58 . . . . 75.53 110.958 179.787 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 27.1 m-80 -69.93 -21.09 63.31 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.217 -0.447 . . . . 54.23 110.594 178.843 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.567 ' HG3' ' O ' ' A' ' 67' ' ' ALA . 30.7 mt-10 -85.04 -20.36 30.55 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.056 -0.52 . . . . 73.31 110.226 178.18 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 93.5 mt -94.92 -66.29 0.92 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.128 -0.487 . . . . 74.31 111.622 -178.192 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 10.7 mmt180 -117.16 172.94 6.95 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.167 0.508 . . . . 74.22 111.502 -176.063 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 6.7 p-80 -125.75 164.55 20.41 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.469 -0.787 . . . . 75.04 109.328 174.548 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 80.42 21.15 65.11 Favored Glycine 0 N--CA 1.448 -0.559 0 C-N-CA 120.209 -0.996 . . . . 60.03 111.191 -179.039 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.88 ' H ' HD23 ' A' ' 76' ' ' LEU . 1.4 pt? -85.52 102.2 13.31 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.357 0.598 . . . . 74.5 110.075 179.631 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.545 ' O ' ' HA ' ' A' ' 96' ' ' VAL . 3.4 mp -93.99 112.05 26.17 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.768 0 CA-C-N 115.837 -0.62 . . . . 64.5 110.85 -178.181 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . 0.525 ' CZ ' HG13 ' A' ' 66' ' ' VAL . 97.9 m-85 -89.32 108.92 19.9 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 109.609 -0.515 . . . . 75.33 109.609 173.016 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . 0.456 ' HG3' ' OG ' ' A' ' 95' ' ' SER . 31.5 pttt -127.95 128.38 44.99 Favored 'General case' 0 C--N 1.314 -0.949 0 CA-C-N 115.806 -0.634 . . . . 44.0 110.408 -175.236 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 43.8 tp -74.13 99.49 3.39 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.029 -0.532 . . . . 73.32 109.656 179.096 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . 0.43 ' OE1' ' HB3' ' A' ' 95' ' ' SER . 6.1 pt-20 -82.44 -29.0 30.96 Favored 'General case' 0 C--N 1.323 -0.582 0 C-N-CA 120.449 -0.501 . . . . 74.3 111.136 -174.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 24.9 m -151.78 149.6 29.21 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.796 0.331 . . . . 72.11 111.403 -178.676 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 22.8 tm0? -149.82 117.55 6.22 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 109.346 -0.613 . . . . 64.4 109.346 173.735 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 2.7 p -151.63 154.81 37.13 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.09 -0.504 . . . . 74.31 110.047 -179.876 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 139.56 176.08 14.62 Favored Glycine 0 N--CA 1.448 -0.525 0 C-N-CA 120.457 -0.878 . . . . 44.24 112.811 175.887 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -68.23 171.78 12.14 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.924 2.416 . . . . 73.24 111.899 179.355 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 14.6 p -80.81 -27.86 11.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-O 120.74 0.305 . . . . 74.42 110.987 -178.474 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 35.8 p-80 -75.11 -26.99 59.68 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 120.817 0.341 . . . . 74.02 110.624 179.529 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -153.41 77.14 6.06 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 116.229 -0.441 . . . . 64.21 110.623 178.667 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . 0.449 ' O ' ' HA ' ' A' ' 108' ' ' ARG . 57.8 Cg_endo -78.49 142.65 18.66 Favored 'Trans proline' 0 N--CA 1.458 -0.592 0 C-N-CA 122.234 1.956 . . . . 75.31 111.456 178.677 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.4 HD11 ' HB3' ' A' ' 106' ' ' GLN . 22.0 tp -99.29 131.61 45.19 Favored 'General case' 0 C--N 1.316 -0.858 0 CA-C-O 121.426 0.632 . . . . 74.34 110.767 -178.235 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.419 ' O ' ' HA ' ' A' ' 106' ' ' GLN . 11.0 m-85 -114.33 135.6 53.9 Favored 'General case' 0 C--N 1.313 -1.008 0 CA-C-N 115.093 -0.958 . . . . 73.0 108.654 177.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . 0.471 HG22 HD11 ' A' ' 104' ' ' LEU . 24.7 m -120.19 100.83 7.42 Favored 'General case' 0 C--N 1.313 -0.99 0 CA-C-O 121.314 0.578 . . . . 43.2 110.388 -176.223 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 0.446 HG21 ' HA ' ' A' ' 114' ' ' ARG . 7.4 mm -97.45 127.82 49.36 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.792 0 CA-C-N 115.308 -0.86 . . . . 72.04 109.888 -178.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . 0.571 ' HB2' ' HD3' ' A' ' 102' ' ' LYS . 6.4 p -106.92 123.28 47.94 Favored 'General case' 0 C--N 1.312 -1.03 0 CA-C-N 115.634 -0.712 . . . . 64.54 109.753 178.36 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.545 ' HA ' ' O ' ' A' ' 77' ' ' ILE . 12.6 p -116.28 128.23 73.65 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 CA-C-O 121.401 0.619 . . . . 63.12 109.883 175.938 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 12.0 tt0 -101.64 111.91 24.3 Favored 'General case' 0 C--N 1.315 -0.921 0 CA-C-N 115.79 -0.641 . . . . 74.45 109.648 -177.788 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . 0.423 HG23 HG22 ' A' ' 96' ' ' VAL . 62.0 t -132.47 124.0 50.83 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.784 0 CA-C-N 116.113 -0.494 . . . . 64.12 110.46 -175.523 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 2.1 t70 60.57 21.99 11.78 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-N 115.723 -0.671 . . . . 63.23 111.06 177.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 93.72 -13.88 66.51 Favored Glycine 0 C--N 1.331 0.297 0 C-N-CA 120.941 -0.647 . . . . 74.2 112.204 -179.294 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 16.1 mm-40 -93.03 127.87 38.71 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 121.192 0.52 . . . . 72.1 110.289 178.214 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . 0.571 ' HD3' ' HB2' ' A' ' 95' ' ' SER . 2.5 tmmm? -93.85 106.07 18.06 Favored 'General case' 0 C--N 1.315 -0.911 0 CA-C-N 115.58 -0.736 . . . . 71.22 109.549 179.183 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' TYR . . . . . 0.49 ' HB3' ' HB ' ' A' ' 120' ' ' THR . 79.5 m-85 -93.76 130.85 39.59 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-N 115.376 -0.829 . . . . 55.22 109.594 179.656 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.615 HD23 ' HG2' ' A' ' 139' ' ' PRO . 13.3 tp -104.43 139.07 39.9 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-O 120.982 0.42 . . . . 44.42 110.752 -176.11 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . 0.443 ' HA3' ' N ' ' A' ' 117' ' ' ALA . . . -128.89 125.67 5.01 Favored Glycine 0 N--CA 1.44 -1.075 0 N-CA-C 111.329 -0.708 . . . . 72.15 111.329 177.081 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . 0.419 ' HA ' ' O ' ' A' ' 92' ' ' PHE . 21.2 mt-30 -120.04 122.97 42.3 Favored 'General case' 0 C--N 1.317 -0.812 0 N-CA-C 109.919 -0.4 . . . . 71.34 109.919 -177.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -143.11 -176.39 17.12 Favored Glycine 0 N--CA 1.447 -0.619 0 N-CA-C 111.575 -0.61 . . . . 44.23 111.575 -178.745 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . 0.449 ' HA ' ' O ' ' A' ' 90' ' ' PRO . 24.8 mmt180 -88.04 2.91 50.74 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.133 0.492 . . . . 52.11 110.873 -176.84 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 35.6 m -160.87 165.48 30.07 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 109.317 -0.623 . . . . 74.11 109.317 -179.762 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 91.7 mttt -56.68 -42.8 79.69 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-O 121.199 0.523 . . . . 63.31 109.852 176.203 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 43.3 tttt -52.92 -54.57 32.9 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-N 114.707 -1.133 . . . . 73.41 110.913 178.375 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . 0.507 ' O ' ' HG2' ' A' ' 116' ' ' GLU . 26.3 t -64.64 -51.18 70.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 115.476 -0.784 . . . . 70.11 110.729 -178.066 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -57.8 -39.95 78.77 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.949 -0.569 . . . . 62.1 111.962 -176.11 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' ARG . . . . . 0.508 ' HG3' ' CD1' ' A' ' 78' ' ' TYR . 41.0 ttm180 -65.51 -44.37 87.21 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.872 0.367 . . . . 64.0 110.617 179.908 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 115' ' ' ILE . . . . . 0.415 HG12 ' HB2' ' A' ' 64' ' ' ASN . 72.8 mt -60.19 -49.03 85.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 115.938 -0.574 . . . . 75.12 110.784 174.588 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . 0.507 ' HG2' ' O ' ' A' ' 112' ' ' VAL . 29.7 mm-40 -57.54 -40.38 78.69 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.463 -0.335 . . . . 74.15 111.545 179.091 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . 0.46 ' HB1' HG12 ' A' ' 96' ' ' VAL . . . -61.56 -47.44 85.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.117 0.484 . . . . 44.41 110.5 178.749 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . 0.463 ' O ' ' HG ' ' A' ' 122' ' ' LEU . . . -67.91 -32.23 72.56 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.67 -0.696 . . . . 64.24 110.915 179.806 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -64.16 -38.12 89.93 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.167 -0.47 . . . . 75.11 110.373 177.88 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 120' ' ' THR . . . . . 0.49 ' HB ' ' HB3' ' A' ' 103' ' ' TYR . 27.3 m -62.56 -40.69 97.65 Favored 'General case' 0 N--CA 1.452 -0.351 0 CA-C-O 121.336 0.589 . . . . 43.2 110.045 176.426 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -64.9 -52.14 58.14 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.54 -0.754 . . . . 74.25 111.155 178.659 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . 0.475 HD11 ' HB2' ' A' ' 68' ' ' MET . 62.0 mt -56.33 -47.87 77.89 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.328 -0.396 . . . . 73.04 111.518 -177.887 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 14.8 ptp180 -69.48 -16.09 63.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.354 -0.385 . . . . 74.32 110.94 -177.036 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 21.7 t -81.98 -28.16 32.81 Favored 'General case' 0 N--CA 1.453 -0.31 0 N-CA-C 109.879 -0.415 . . . . 62.2 109.879 176.542 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 25.0 m-85 -80.72 -56.16 4.33 Favored 'General case' 0 N--CA 1.451 -0.408 0 CA-C-N 116.015 -0.539 . . . . 60.51 110.201 179.52 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 126' ' ' ILE . . . . . 0.422 HD13 ' H ' ' A' ' 126' ' ' ILE . 0.2 OUTLIER -131.93 149.12 32.36 Favored 'Isoleucine or valine' 0 C--O 1.233 0.196 0 CA-C-N 116.264 -0.425 . . . . 61.44 111.16 -176.892 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 15.6 mm-40 -142.4 148.06 37.21 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.851 -0.613 . . . . 63.54 110.283 174.298 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 81.5 m-85 -103.12 26.92 7.65 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.885 -0.598 . . . . 72.42 110.568 -177.363 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 82.2 tttt -165.37 167.08 18.08 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 109.282 -0.636 . . . . 74.25 109.282 -179.339 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 1.7 p30 -61.62 -41.59 97.69 Favored 'General case' 0 C--N 1.33 -0.259 0 O-C-N 123.285 0.366 . . . . 73.21 111.146 177.734 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 67.85 30.57 74.48 Favored Glycine 0 N--CA 1.448 -0.534 0 C-N-CA 120.87 -0.681 . . . . 62.31 111.55 -178.283 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -67.39 142.58 56.68 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 110.466 -0.198 . . . . 71.31 110.466 -179.766 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 38.8 t 61.95 69.03 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 121.765 0.793 . . . . 65.14 109.392 -173.441 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 60.8 tp -99.03 116.12 30.53 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.159 -0.928 . . . . 73.23 110.629 -178.388 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 135' ' ' SER . . . . . 0.453 ' O ' ' HG ' ' A' ' 137' ' ' LEU . 8.2 t -76.77 141.02 67.97 Favored Pre-proline 0 C--N 1.32 -0.69 0 N-CA-C 109.006 -0.738 . . . . 73.5 109.006 176.707 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 136' ' ' PRO . . . . . . . . . . . . . 35.2 Cg_exo -60.83 94.4 0.11 Allowed 'Trans proline' 0 C--N 1.344 0.295 0 C-N-CA 122.291 1.994 . . . . 74.23 111.916 178.19 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 137' ' ' LEU . . . . . 0.453 ' HG ' ' O ' ' A' ' 135' ' ' SER . 65.4 mt -92.65 117.35 29.88 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.775 -0.648 . . . . 64.21 110.032 -178.499 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 138' ' ' LYS . . . . . 0.473 ' HD2' ' N ' ' A' ' 138' ' ' LYS . 0.2 OUTLIER 71.43 121.37 0.03 OUTLIER Pre-proline 0 N--CA 1.464 0.247 0 O-C-N 124.098 0.874 . . . . 61.14 110.388 -177.951 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 139' ' ' PRO . . . . . 0.615 ' HG2' HD23 ' A' ' 104' ' ' LEU . 10.3 Cg_endo -53.89 106.56 0.17 Allowed 'Trans proline' 0 C--N 1.344 0.339 0 C-N-CA 123.381 2.721 . . . . 73.42 113.294 -176.855 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.047 0 CA-C-O 118.383 -0.817 . . . . 41.33 109.53 176.983 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 17.4 m . . . . . 0 N--CA 1.476 0.83 0 N-CA-C 110.348 -0.241 . . . . 52.01 110.348 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.541 ' HA ' ' HD3' ' A' ' 50' ' ' PRO . 21.7 t70 65.21 120.84 0.02 OUTLIER Pre-proline 0 N--CA 1.472 0.639 0 C-N-CA 123.504 0.721 . . . . 74.43 112.367 176.617 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.541 ' HD3' ' HA ' ' A' ' 49' ' ' ASP . 2.0 Cg_endo -84.47 16.96 1.82 Allowed 'Trans proline' 0 CA--C 1.534 0.486 0 C-N-CA 123.361 2.707 . . . . 73.4 114.39 -174.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 30.6 mtmm -84.86 114.27 21.98 Favored 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 120.206 -0.598 . . . . 51.23 109.762 175.616 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.65 ' HB3' ' SG ' ' A' ' 55' ' ' CYS . 21.7 tptm -88.14 123.39 32.75 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.863 -0.608 . . . . 72.42 109.482 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.495 ' HG3' ' HG2' ' A' ' 54' ' ' MET . 22.2 tptm -51.1 -50.91 57.86 Favored 'General case' 0 C--N 1.331 -0.207 0 O-C-N 123.634 0.584 . . . . 63.45 111.764 -177.305 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' MET . . . . . 0.557 ' HB3' ' HE2' ' A' ' 56' ' ' LYS . 22.8 mmt -123.24 88.35 2.91 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 121.06 0.457 . . . . 71.03 110.958 -179.156 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . 0.65 ' SG ' ' HB3' ' A' ' 52' ' ' LYS . 39.2 m -81.67 90.31 6.31 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 108.971 -0.751 . . . . 70.4 108.971 174.056 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.557 ' HE2' ' HB3' ' A' ' 54' ' ' MET . 75.5 mmtt -84.48 79.1 9.69 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 116.136 -0.484 . . . . 74.31 110.389 -176.668 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 41.4 tt0 -95.61 86.98 4.58 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.768 -0.651 . . . . 60.24 109.592 179.087 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 4.3 mmp_? -113.04 3.55 16.22 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.413 -0.812 . . . . 65.02 109.551 179.447 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.405 ' HA ' ' HD3' ' A' ' 60' ' ' PRO . 31.5 pt -66.62 148.32 98.72 Favored Pre-proline 0 C--N 1.326 -0.425 0 CA-C-N 115.451 -0.795 . . . . 53.43 110.792 179.354 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . 0.405 ' HD3' ' HA ' ' A' ' 59' ' ' ILE . 14.8 Cg_exo -68.73 101.85 0.81 Allowed 'Trans proline' 0 N--CA 1.459 -0.514 0 C-N-CA 122.625 2.216 . . . . 54.11 110.964 176.39 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . 0.488 ' HG3' ' ND2' ' A' ' 64' ' ' ASN . 9.2 tp-100 -101.21 112.52 65.13 Favored Pre-proline 0 C--N 1.321 -0.656 0 CA-C-N 116.244 -0.435 . . . . 70.33 110.215 -177.111 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . 0.405 ' HD3' ' HA ' ' A' ' 61' ' ' GLN . 85.9 Cg_endo -97.46 172.56 0.7 Allowed 'Trans proline' 0 N--CA 1.45 -1.086 0 C-N-CA 123.349 2.699 . . . . 73.23 112.95 178.708 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 35.4 mmtp 56.41 44.33 24.61 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-N 115.515 -0.766 . . . . 75.14 112.4 173.687 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . 0.634 ' OD1' ' HB ' ' A' ' 66' ' ' VAL . 8.5 p30 -139.26 152.34 47.21 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 122.194 0.997 . . . . 61.34 111.691 179.056 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 25.2 p -72.7 -16.81 61.67 Favored 'General case' 0 C--N 1.313 -1.007 0 CA-C-N 114.182 -1.372 . . . . 73.24 110.805 -179.763 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.634 ' HB ' ' OD1' ' A' ' 64' ' ' ASN . 65.3 t -60.75 -48.86 86.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 115.589 -0.732 . . . . 71.32 110.177 177.253 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.536 ' O ' ' HG3' ' A' ' 71' ' ' GLU . . . -63.69 -40.21 96.22 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.798 -0.637 . . . . 64.12 109.957 176.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 77.5 mmm -56.68 -42.18 78.6 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.527 -0.761 . . . . 75.21 111.381 177.539 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.709 ' HB3' HD13 ' A' ' 76' ' ' LEU . 2.9 mt -63.07 -37.33 86.77 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.477 -0.329 . . . . 75.51 111.026 -179.784 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 27.3 m-80 -64.78 -24.32 67.52 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.091 0.472 . . . . 73.24 110.514 179.103 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.536 ' HG3' ' O ' ' A' ' 67' ' ' ALA . 29.9 mt-10 -86.45 -18.73 30.96 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.776 -0.647 . . . . 71.32 110.862 179.743 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 55.7 mt -96.67 -65.08 0.99 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.858 0.361 . . . . 63.33 111.602 -178.062 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -134.83 117.07 15.52 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 120.873 0.368 . . . . 72.44 111.1 -173.433 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 11.4 p-80 -73.72 159.8 32.45 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.899 -0.591 . . . . 74.32 110.14 174.275 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 93.07 30.5 9.3 Favored Glycine 0 N--CA 1.446 -0.638 0 C-N-CA 120.37 -0.919 . . . . 43.4 111.131 -175.636 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.846 ' H ' HD23 ' A' ' 76' ' ' LEU . 1.3 pt? -98.25 114.82 27.21 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.01 0.434 . . . . 75.23 110.454 -179.57 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.48 ' O ' ' HA ' ' A' ' 96' ' ' VAL . 4.2 mp -114.77 110.37 31.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-N 116.146 -0.479 . . . . 71.41 110.589 -178.609 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . 0.468 ' CD1' ' HG3' ' A' ' 114' ' ' ARG . 90.9 m-85 -90.16 123.08 33.69 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 110.274 -0.269 . . . . 74.0 110.274 177.665 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 16.8 ptpt -132.27 144.08 50.35 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 116.139 -0.482 . . . . 75.31 110.287 179.098 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 49.1 tp -87.48 100.61 12.89 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 109.1 -0.704 . . . . 72.21 109.1 177.728 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -85.82 -27.24 25.25 Favored 'General case' 0 C--N 1.325 -0.483 0 C-N-CA 120.519 -0.472 . . . . 72.23 111.7 -173.215 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 70.7 m -156.86 153.48 28.3 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.943 0.401 . . . . 75.33 111.074 -178.793 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 23.2 tm0? -149.98 116.57 5.82 Favored 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 108.592 -0.892 . . . . 70.5 108.592 178.266 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 22.5 p -147.62 157.4 43.54 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 116.324 -0.398 . . . . 63.55 110.854 -174.064 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 129.22 -165.06 22.04 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.253 -0.975 . . . . 53.25 112.825 172.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -75.15 177.04 9.14 Favored 'Trans proline' 0 N--CA 1.462 -0.373 0 C-N-CA 122.932 2.421 . . . . 64.24 111.887 177.314 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 13.2 p -92.21 -27.13 4.77 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-O 120.898 0.38 . . . . 73.31 110.319 -179.317 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 49.7 p-80 -75.91 -23.85 55.56 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.254 -0.43 . . . . 73.44 110.358 -179.682 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.439 ' HB1' ' HD2' ' A' ' 108' ' ' ARG . . . -155.59 72.59 5.43 Favored Pre-proline 0 C--N 1.328 -0.359 0 CA-C-N 116.326 -0.397 . . . . 64.51 110.537 178.611 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . 0.539 ' O ' ' HA ' ' A' ' 108' ' ' ARG . 5.5 Cg_exo -71.54 146.29 49.2 Favored 'Trans proline' 0 N--CA 1.454 -0.795 0 C-N-CA 121.998 1.799 . . . . 64.23 111.786 -178.305 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.447 HD11 ' HB3' ' A' ' 106' ' ' GLN . 2.8 tm? -98.21 115.91 29.33 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-O 121.364 0.602 . . . . 64.41 109.569 -179.582 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 21.0 m-85 -100.82 136.19 41.08 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 115.259 -0.882 . . . . 74.12 109.121 179.216 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . 0.442 HG22 HD11 ' A' ' 104' ' ' LEU . 15.5 m -119.17 103.05 9.17 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 121.03 0.443 . . . . 43.21 110.591 -176.755 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 0.542 HG21 ' HA ' ' A' ' 114' ' ' ARG . 7.1 mm -100.38 128.64 52.19 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 CA-C-N 115.667 -0.697 . . . . 63.25 109.766 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . 0.621 ' HB2' ' HD3' ' A' ' 102' ' ' LYS . 0.6 OUTLIER -110.14 137.64 47.61 Favored 'General case' 0 C--N 1.314 -0.962 0 CA-C-N 116.016 -0.538 . . . . 45.22 110.431 175.651 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.542 HG12 ' HB1' ' A' ' 117' ' ' ALA . 7.1 p -133.34 128.1 54.89 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.818 0 CA-C-N 115.822 -0.626 . . . . 72.24 110.14 176.149 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 26.7 tt0 -96.7 115.72 27.91 Favored 'General case' 0 C--N 1.316 -0.867 0 N-CA-C 109.353 -0.61 . . . . 73.1 109.353 176.489 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 18.6 t -124.34 120.92 60.48 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.792 0 CA-C-N 115.868 -0.605 . . . . 74.13 109.763 -176.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 22.1 t70 67.27 1.73 2.55 Favored 'General case' 0 N--CA 1.47 0.556 0 O-C-N 123.739 0.649 . . . . 64.14 111.142 179.708 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 120.33 -19.05 9.36 Favored Glycine 0 N--CA 1.446 -0.669 0 C-N-CA 120.944 -0.646 . . . . 74.22 112.298 -178.695 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' GLN . . . . . 0.491 ' HA ' ' NE2' ' A' ' 101' ' ' GLN . 13.6 mm-40 -91.99 133.57 35.6 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.991 0.424 . . . . 63.52 111.249 -179.873 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . 0.621 ' HD3' ' HB2' ' A' ' 95' ' ' SER . 0.5 OUTLIER -98.03 100.29 11.61 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.826 -0.624 . . . . 73.12 109.809 -176.195 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 70.6 m-85 -89.84 147.74 23.6 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.553 -0.749 . . . . 74.54 109.974 -178.813 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.442 HD11 HG22 ' A' ' 93' ' ' THR . 13.3 tp -118.47 137.13 53.39 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 120.877 0.37 . . . . 65.33 110.853 -177.172 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . 0.423 ' HA3' ' N ' ' A' ' 117' ' ' ALA . . . -130.98 131.15 6.32 Favored Glycine 0 N--CA 1.446 -0.681 0 N-CA-C 111.456 -0.658 . . . . 72.23 111.456 178.909 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . 0.447 ' HB3' HD11 ' A' ' 91' ' ' LEU . 23.8 mt-30 -122.67 125.25 45.21 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 120.867 0.365 . . . . 73.04 110.691 -175.378 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -145.28 179.69 22.19 Favored Glycine 0 N--CA 1.448 -0.505 0 C-N-CA 120.811 -0.709 . . . . 61.12 112.188 -178.13 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . 0.539 ' HA ' ' O ' ' A' ' 90' ' ' PRO . 29.0 mmt180 -88.75 6.92 36.42 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.176 0.513 . . . . 72.52 111.309 -177.309 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 49.3 m -160.57 165.94 29.88 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 108.665 -0.865 . . . . 52.11 108.665 178.283 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 55.3 mttp -59.07 -39.62 82.7 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.188 0.518 . . . . 52.25 110.343 -179.27 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 82.2 tttt -62.55 -53.81 49.15 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.248 -0.887 . . . . 61.21 111.056 -179.491 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . 0.473 ' O ' ' HG2' ' A' ' 116' ' ' GLU . 22.5 t -53.79 -50.95 48.68 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 115.923 -0.58 . . . . 63.04 110.248 179.517 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -60.9 -41.54 96.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.841 -0.618 . . . . 51.31 111.744 -177.035 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' ARG . . . . . 0.542 ' HA ' HG21 ' A' ' 94' ' ' ILE . 22.5 ttm180 -63.03 -41.98 99.66 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.897 0.38 . . . . 71.23 110.57 179.635 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 115' ' ' ILE . . . . . 0.535 HG12 ' HB2' ' A' ' 64' ' ' ASN . 73.4 mt -65.74 -47.92 84.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 116.026 -0.533 . . . . 60.44 111.044 176.576 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . 0.473 ' HG2' ' O ' ' A' ' 112' ' ' VAL . 42.8 mm-40 -57.84 -38.57 75.9 Favored 'General case' 0 C--O 1.236 0.349 0 CA-C-O 120.927 0.394 . . . . 63.32 111.642 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . 0.542 ' HB1' HG12 ' A' ' 96' ' ' VAL . . . -62.49 -44.89 95.27 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.257 -0.429 . . . . 74.31 110.382 177.315 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . 0.528 ' O ' ' HG ' ' A' ' 122' ' ' LEU . . . -67.13 -35.72 80.34 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.709 -0.678 . . . . 73.31 111.274 -179.844 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -61.65 -38.57 88.22 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.137 0.494 . . . . 72.32 110.584 179.89 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 120' ' ' THR . . . . . 0.484 ' O ' ' HG2' ' A' ' 123' ' ' ARG . 21.4 m -67.44 -41.88 84.04 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.669 -0.696 . . . . 70.32 110.287 178.567 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -59.39 -47.11 86.69 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.767 -0.651 . . . . 70.11 110.738 178.333 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . 0.528 ' HG ' ' O ' ' A' ' 118' ' ' ALA . 37.4 mt -53.25 -49.65 66.42 Favored 'General case' 0 N--CA 1.462 0.152 0 CA-C-N 115.97 -0.559 . . . . 65.35 111.542 -177.556 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 123' ' ' ARG . . . . . 0.484 ' HG2' ' O ' ' A' ' 120' ' ' THR . 23.9 ptt180 -66.39 -24.92 66.56 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.466 -0.334 . . . . 71.13 111.011 -175.376 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 4.7 t -73.38 -24.06 60.26 Favored 'General case' 0 N--CA 1.453 -0.311 0 CA-C-O 121.122 0.487 . . . . 53.22 110.156 179.682 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 63.7 m-85 -87.54 -54.72 4.13 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.048 -0.524 . . . . 74.34 110.333 175.721 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 126' ' ' ILE . . . . . 0.473 ' O ' ' HA ' ' A' ' 123' ' ' ARG . 0.2 OUTLIER -137.83 149.2 25.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.135 -0.484 . . . . 74.43 110.619 -178.592 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -137.92 77.99 1.66 Allowed 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.592 0.71 . . . . 65.31 110.211 175.206 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 128' ' ' PHE . . . . . 0.46 ' CD1' ' HB ' ' A' ' 126' ' ' ILE . 45.1 m-85 -104.86 177.45 4.85 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.37 -0.832 . . . . 75.13 110.187 -177.532 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 18.7 ptpt 47.88 26.7 0.98 Allowed 'General case' 0 N--CA 1.474 0.731 0 O-C-N 124.395 1.06 . . . . 74.4 112.19 179.605 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -110.44 -42.39 4.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.16 0.505 . . . . 74.02 109.901 179.141 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 89.12 13.62 61.76 Favored Glycine 0 N--CA 1.448 -0.527 0 N-CA-C 110.765 -0.934 . . . . 64.13 110.765 -175.259 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -56.24 135.91 53.23 Favored 'General case' 0 C--O 1.235 0.335 0 CA-C-N 114.936 -0.632 . . . . 62.41 111.325 -179.005 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 35.1 m -110.52 141.64 25.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 116.07 -0.514 . . . . 52.34 111.296 -175.722 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 3.6 pp -121.18 11.26 10.84 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 121.789 0.804 . . . . 71.05 109.336 173.867 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 68.8 m -87.39 151.61 51.18 Favored Pre-proline 0 C--N 1.318 -0.767 0 CA-C-N 114.509 -1.223 . . . . 64.25 110.508 -179.811 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 136' ' ' PRO . . . . . . . . . . . . . 39.6 Cg_endo -68.3 108.3 1.76 Allowed 'Trans proline' 0 N--CA 1.463 -0.31 0 C-N-CA 122.579 2.186 . . . . 61.41 112.003 177.594 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 4.5 pp -101.28 144.33 30.26 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.156 -0.474 . . . . 71.33 110.123 177.08 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 138' ' ' LYS . . . . . 0.498 ' HD2' ' HD2' ' A' ' 139' ' ' PRO . 13.4 tptm -89.65 125.49 61.06 Favored Pre-proline 0 C--N 1.322 -0.621 0 CA-C-N 116.119 -0.492 . . . . 74.52 110.842 -179.487 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 139' ' ' PRO . . . . . 0.498 ' HD2' ' HD2' ' A' ' 138' ' ' LYS . 93.2 Cg_endo -80.73 -155.5 0.06 OUTLIER 'Trans proline' 0 CA--C 1.531 0.35 0 C-N-CA 122.89 2.393 . . . . 73.52 111.352 172.06 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.083 0 CA-C-O 118.788 -0.625 . . . . 45.13 110.493 176.154 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 19.3 m . . . . . 0 N--CA 1.474 0.753 0 CA-C-O 120.637 0.256 . . . . 63.43 110.661 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.407 ' HA ' ' HD3' ' A' ' 50' ' ' PRO . 18.5 t70 -69.6 117.25 51.26 Favored Pre-proline 0 C--N 1.33 -0.244 0 N-CA-C 109.937 -0.394 . . . . 75.44 109.937 178.121 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.407 ' HD3' ' HA ' ' A' ' 49' ' ' ASP . 37.9 Cg_endo -88.51 113.16 0.71 Allowed 'Trans proline' 0 N--CA 1.45 -1.045 0 C-N-CA 122.658 2.238 . . . . 73.42 112.293 -179.375 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 53.2 tptt -69.0 108.87 3.7 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 109.689 -0.486 . . . . 71.13 109.689 175.471 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 15.2 tppt? -93.7 115.51 27.96 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.153 -0.476 . . . . 60.42 109.814 -177.318 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.415 ' HD2' ' N ' ' A' ' 53' ' ' LYS . 0.1 OUTLIER -82.53 -42.65 18.11 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.067 0.46 . . . . 74.04 110.305 -177.869 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 27.0 ptt? -153.46 130.16 10.81 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.018 -0.537 . . . . 63.11 110.521 178.503 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 26.6 t -148.73 89.69 1.71 Allowed 'General case' 0 C--N 1.318 -0.765 0 N-CA-C 108.933 -0.765 . . . . 44.5 108.933 176.137 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 46.1 mttp -86.71 93.14 9.16 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.846 -0.616 . . . . 75.42 110.765 -177.479 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -146.35 55.51 1.15 Allowed 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 121.474 0.654 . . . . 71.44 110.064 179.084 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.505 ' O ' ' HD3' ' A' ' 60' ' ' PRO . 48.6 mtm180 -81.65 102.24 10.56 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 109.416 -0.587 . . . . 72.11 109.416 174.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 11.3 pt -113.32 85.9 9.15 Favored Pre-proline 0 C--N 1.322 -0.591 0 CA-C-N 116.2 -0.455 . . . . 71.32 111.089 179.545 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . 0.886 ' HA ' ' HB1' ' A' ' 67' ' ' ALA . 9.8 Cg_endo -90.65 19.04 1.22 Allowed 'Trans proline' 0 N--CA 1.456 -0.691 0 C-N-CA 123.429 2.753 . . . . 73.44 111.726 178.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -77.51 -52.16 1.78 Allowed Pre-proline 0 C--N 1.325 -0.481 0 CA-C-N 115.466 -0.788 . . . . 74.41 111.542 -177.648 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 6.2 Cg_exo -74.89 -177.41 3.42 Favored 'Trans proline' 0 C--N 1.354 0.823 0 C-N-CA 121.948 1.765 . . . . 71.3 112.032 178.038 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 44.4 mmtm -101.8 9.95 40.34 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.086 0.47 . . . . 64.32 110.474 -179.047 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 17.0 p-10 -59.66 142.32 53.23 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.426 -0.806 . . . . 64.42 110.648 176.264 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 34.1 p -56.77 -27.68 59.99 Favored 'General case' 0 C--N 1.315 -0.913 0 CA-C-N 114.848 -1.069 . . . . 73.05 111.392 -179.816 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 38.4 t -57.21 -44.92 84.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 115.584 -0.735 . . . . 71.33 110.405 176.306 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.886 ' HB1' ' HA ' ' A' ' 60' ' ' PRO . . . -62.32 -42.92 99.78 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.756 -0.656 . . . . 42.44 110.09 178.463 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 69.0 mmm -58.44 -44.3 89.1 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.22 -0.9 . . . . 54.44 110.727 178.782 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.58 ' HB3' HD13 ' A' ' 76' ' ' LEU . 0.9 OUTLIER -62.04 -37.27 84.29 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.062 -0.517 . . . . 55.04 111.491 179.498 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . 0.465 ' OD1' ' HG2' ' A' ' 58' ' ' ARG . 20.3 m-80 -69.04 -20.27 64.12 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-O 121.178 0.514 . . . . 74.34 110.732 -178.045 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 -86.91 -26.67 23.8 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.598 -0.728 . . . . 73.24 110.955 178.612 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 80.3 mt -86.35 -61.09 1.82 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.054 -0.521 . . . . 72.04 112.027 -175.369 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . 0.412 HH11 ' HD3' ' A' ' 73' ' ' ARG . 6.3 mmt-85 -125.29 173.57 8.73 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.939 0.399 . . . . 61.4 111.311 -175.763 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 10.3 p-80 -121.64 160.3 24.71 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.611 -0.722 . . . . 73.01 109.284 174.582 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 78.42 38.11 25.89 Favored Glycine 0 N--CA 1.446 -0.672 0 C-N-CA 120.317 -0.945 . . . . 62.22 111.508 -177.666 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.749 ' H ' HD23 ' A' ' 76' ' ' LEU . 0.7 OUTLIER -95.39 88.67 5.18 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.344 0.592 . . . . 44.31 110.008 178.205 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 4.3 mp -89.28 108.46 19.16 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-N 115.958 -0.564 . . . . 74.22 110.524 -177.322 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . 0.43 ' CD1' ' HB ' ' A' ' 96' ' ' VAL . 94.1 m-85 -82.63 119.66 24.57 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 109.533 -0.543 . . . . 74.35 109.533 174.843 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . 0.634 ' HG2' ' O ' ' A' ' 95' ' ' SER . 14.3 ptpt -127.47 133.9 49.86 Favored 'General case' 0 C--N 1.318 -0.8 0 N-CA-C 109.807 -0.442 . . . . 73.33 109.807 -179.256 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.526 HD22 ' HE2' ' A' ' 110' ' ' LYS . 34.0 tp -81.49 116.07 21.1 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 109.189 -0.671 . . . . 62.44 109.189 177.336 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -93.35 -29.84 15.42 Favored 'General case' 0 C--N 1.322 -0.603 0 C-N-CA 120.292 -0.563 . . . . 71.11 111.631 -177.581 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 3.0 p -156.93 144.92 19.32 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.055 0.455 . . . . 64.13 111.749 -179.275 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 20.9 tm0? -125.48 124.46 41.42 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 109.025 -0.732 . . . . 64.21 109.025 174.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 7.2 p -146.41 -164.6 2.01 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.006 -0.543 . . . . 74.25 110.334 -176.653 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 95.11 175.37 37.77 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 121.164 -0.541 . . . . 72.23 113.095 171.711 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -68.25 -174.83 0.71 Allowed 'Trans proline' 0 C--N 1.345 0.36 0 C-N-CA 123.125 2.55 . . . . 70.32 111.738 176.525 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 9.9 p -97.75 -25.35 4.13 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.754 0 C-N-CA 120.514 -0.474 . . . . 74.35 110.401 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 43.1 p-80 -76.86 -24.91 52.61 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.998 0.428 . . . . 71.52 110.022 179.353 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -160.62 74.25 2.79 Favored Pre-proline 0 C--N 1.327 -0.37 0 CA-C-N 115.804 -0.635 . . . . 65.24 110.108 179.076 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . 0.63 ' O ' ' HA ' ' A' ' 108' ' ' ARG . 11.5 Cg_exo -65.42 166.86 18.21 Favored 'Trans proline' 0 N--CA 1.454 -0.802 0 C-N-CA 121.886 1.724 . . . . 73.51 112.115 -176.254 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.43 HD11 ' NE2' ' A' ' 106' ' ' GLN . 2.9 tm? -113.35 112.19 23.26 Favored 'General case' 0 C--N 1.314 -0.96 0 CA-C-N 115.475 -0.784 . . . . 71.13 109.26 179.713 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.493 ' O ' ' HA ' ' A' ' 106' ' ' GLN . 34.0 m-85 -104.14 131.74 51.1 Favored 'General case' 0 C--N 1.314 -0.958 0 CA-C-N 115.1 -0.954 . . . . 62.42 108.958 179.489 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . 0.456 HG22 HD11 ' A' ' 104' ' ' LEU . 19.7 m -113.27 104.85 12.74 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-O 121.313 0.578 . . . . 72.42 110.923 -178.183 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 5.7 mm -99.6 130.11 49.13 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.674 0 CA-C-N 115.336 -0.847 . . . . 62.03 110.055 179.124 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . 0.634 ' O ' ' HG2' ' A' ' 79' ' ' LYS . 0.1 OUTLIER -107.96 120.77 43.23 Favored 'General case' 0 C--N 1.312 -1.038 0 CA-C-N 115.537 -0.756 . . . . 73.32 109.616 175.507 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.46 HG22 HG23 ' A' ' 98' ' ' VAL . 10.1 p -110.14 124.81 67.19 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.822 0 C-N-CA 120.347 -0.541 . . . . 73.33 110.316 178.324 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 15.5 tt0 -95.47 113.57 25.24 Favored 'General case' 0 C--N 1.315 -0.9 0 N-CA-C 108.991 -0.744 . . . . 55.42 108.991 179.895 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . 0.46 HG23 HG22 ' A' ' 96' ' ' VAL . 32.7 t -134.29 123.51 43.43 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.775 0 CA-C-N 116.288 -0.414 . . . . 72.12 110.492 -175.885 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 20.1 t70 63.71 16.71 9.94 Favored 'General case' 0 CA--C 1.532 0.284 0 CA-C-O 121.46 0.648 . . . . 73.04 110.469 176.659 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 96.83 -11.68 66.13 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.873 -0.679 . . . . 71.44 112.208 -179.162 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 7.4 mm-40 -96.99 132.98 42.26 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.852 0.358 . . . . 71.41 110.34 177.266 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . 0.632 ' HD3' ' CB ' ' A' ' 95' ' ' SER . 2.0 tmmm? -94.97 113.4 25.1 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 121.055 0.455 . . . . 73.12 109.824 178.606 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' TYR . . . . . 0.427 ' HB3' ' HB ' ' A' ' 120' ' ' THR . 63.5 m-85 -100.63 141.84 32.93 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.79 -0.641 . . . . 60.44 109.656 177.519 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.812 HD23 ' HE2' ' A' ' 138' ' ' LYS . 13.7 tp -114.02 144.67 42.72 Favored 'General case' 0 C--N 1.32 -0.683 0 C-N-CA 120.731 -0.387 . . . . 53.44 110.905 -174.682 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . 0.57 ' HA3' ' N ' ' A' ' 117' ' ' ALA . . . -142.52 136.21 7.05 Favored Glycine 0 N--CA 1.446 -0.672 0 N-CA-C 111.559 -0.616 . . . . 74.03 111.559 177.882 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . 0.493 ' HA ' ' O ' ' A' ' 92' ' ' PHE . 26.4 mt-30 -124.4 112.17 16.61 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.899 0.38 . . . . 73.14 110.408 -175.773 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -125.58 -172.64 13.46 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.965 -0.636 . . . . 72.5 112.371 -175.785 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . 0.63 ' HA ' ' O ' ' A' ' 90' ' ' PRO . 45.3 mmt-85 -90.33 -3.7 57.58 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.213 0.53 . . . . 72.42 110.939 -178.239 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . 0.427 ' HB2' HG23 ' A' ' 112' ' ' VAL . 48.8 m -155.64 165.74 35.65 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 108.265 -1.013 . . . . 54.43 108.265 -178.882 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . 0.526 ' HE2' HD22 ' A' ' 80' ' ' LEU . 99.0 mttt -57.53 -43.28 84.23 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.293 0.568 . . . . 73.2 110.121 178.327 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 74.1 tttt -61.83 -48.84 78.75 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.2 -0.909 . . . . 73.24 110.752 179.469 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . 0.643 ' O ' ' HG2' ' A' ' 116' ' ' GLU . 45.1 t -61.86 -47.26 94.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 115.696 -0.684 . . . . 73.43 110.231 179.925 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -59.97 -38.33 82.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.09 -0.505 . . . . 75.52 111.105 179.685 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 16.8 ttm180 -60.3 -42.65 95.98 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.885 -0.598 . . . . 73.1 110.219 176.836 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 68.8 mt -61.49 -51.83 68.27 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.281 0 CA-C-N 115.762 -0.654 . . . . 72.54 110.722 175.041 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . 0.643 ' HG2' ' O ' ' A' ' 112' ' ' VAL . 5.2 mm-40 -57.96 -39.16 77.45 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 120.891 0.377 . . . . 72.04 111.268 -178.911 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . 0.57 ' N ' ' HA3' ' A' ' 105' ' ' GLY . . . -63.21 -44.99 93.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.133 0.492 . . . . 60.21 110.813 178.332 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . 0.563 ' O ' ' HG ' ' A' ' 122' ' ' LEU . . . -66.35 -30.22 70.57 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.538 -0.756 . . . . 75.24 110.934 179.522 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -60.43 -42.82 96.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.121 -0.491 . . . . 53.51 110.731 178.372 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 120' ' ' THR . . . . . 0.503 ' O ' ' HG2' ' A' ' 123' ' ' ARG . 31.6 m -63.04 -42.01 99.65 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.21 0.529 . . . . 70.12 110.657 177.796 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -61.45 -44.86 96.37 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.995 -0.548 . . . . 70.2 110.994 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . 0.563 ' HG ' ' O ' ' A' ' 118' ' ' ALA . 65.3 mt -57.88 -45.22 86.7 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.145 -0.479 . . . . 63.25 111.39 -177.779 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 123' ' ' ARG . . . . . 0.503 ' HG2' ' O ' ' A' ' 120' ' ' THR . 13.0 ptt180 -67.95 -20.27 65.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.76 0.314 . . . . 73.12 110.777 -175.689 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 27.1 m -78.71 -27.64 44.95 Favored 'General case' 0 N--CA 1.441 -0.879 0 CA-C-O 120.723 0.297 . . . . 61.3 111.545 176.308 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 125' ' ' PHE . . . . . 0.408 ' HE2' HD21 ' A' ' 69' ' ' LEU . 27.1 m-85 -89.6 -57.95 2.69 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.961 0.41 . . . . 64.54 111.299 -177.47 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 126' ' ' ILE . . . . . 0.484 HD13 ' H ' ' A' ' 126' ' ' ILE . 0.2 OUTLIER -117.21 150.64 19.2 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-O 120.788 0.327 . . . . 71.43 110.193 -178.339 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -130.04 156.66 44.13 Favored 'General case' 0 C--N 1.319 -0.725 0 N-CA-C 109.694 -0.484 . . . . 73.53 109.694 177.8 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 61.0 m-85 -116.19 133.83 55.59 Favored 'General case' 0 C--N 1.318 -0.767 0 N-CA-C 109.922 -0.399 . . . . 72.13 109.922 -177.67 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 53.7 mtpt -87.0 89.31 7.95 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 109.352 -0.61 . . . . 72.43 109.352 178.225 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 54.0 p-10 -115.16 -23.4 9.0 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.168 -0.923 . . . . 74.21 111.561 -174.157 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 64.94 23.68 69.57 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.862 -0.685 . . . . 62.24 111.922 -177.25 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -103.08 168.38 9.22 Favored 'General case' 0 N--CA 1.451 -0.38 0 CA-C-O 121.023 0.44 . . . . 74.11 111.088 -176.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 21.3 m -119.14 29.29 2.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-N 115.95 -0.568 . . . . 55.4 110.988 -179.265 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 58.7 tp -97.34 100.21 11.66 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.963 -0.562 . . . . 73.12 110.45 -177.884 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 37.5 t -152.23 81.81 5.49 Favored Pre-proline 0 C--N 1.326 -0.455 0 CA-C-N 116.007 -0.542 . . . . 74.11 110.329 177.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 136' ' ' PRO . . . . . . . . . . . . . 3.5 Cg_exo -76.29 95.53 1.04 Allowed 'Trans proline' 0 N--CA 1.461 -0.404 0 C-N-CA 122.866 2.377 . . . . 74.3 111.455 178.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 94.9 mt -84.89 168.09 15.38 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.115 -0.493 . . . . 60.34 110.709 -179.325 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 138' ' ' LYS . . . . . 0.812 ' HE2' HD23 ' A' ' 104' ' ' LEU . 18.0 pttp -82.05 164.84 46.46 Favored Pre-proline 0 C--N 1.325 -0.49 0 CA-C-N 116.023 -0.535 . . . . 73.45 110.125 -179.431 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 139' ' ' PRO . . . . . 0.431 ' O ' ' HG3' ' A' ' 138' ' ' LYS . 15.6 Cg_endo -59.48 153.21 56.1 Favored 'Trans proline' 0 C--O 1.234 0.306 0 C-N-CA 122.171 1.914 . . . . 74.42 110.772 170.03 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.032 0 CA-C-O 118.732 -0.652 . . . . 74.12 111.014 -176.093 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 16.8 m . . . . . 0 N--CA 1.478 0.957 0 N-CA-C 109.705 -0.48 . . . . 62.12 109.705 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.794 ' HB3' ' HD2' ' A' ' 50' ' ' PRO . 6.3 m-20 72.08 174.74 0.08 OUTLIER Pre-proline 0 CA--C 1.534 0.363 0 O-C-N 123.609 0.568 . . . . 64.1 111.637 166.475 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.794 ' HD2' ' HB3' ' A' ' 49' ' ' ASP . 95.1 Cg_endo -77.83 -0.71 10.91 Favored 'Trans proline' 0 C--N 1.347 0.479 0 C-N-CA 122.336 2.024 . . . . 71.02 112.903 179.743 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.502 ' HD3' ' H ' ' A' ' 51' ' ' LYS . 0.0 OUTLIER -132.41 117.55 18.22 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.325 0.583 . . . . 62.13 110.231 179.124 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.43 ' HE2' ' HB2' ' A' ' 52' ' ' LYS . 2.3 mppt? -114.6 93.57 4.39 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.752 -0.658 . . . . 70.45 109.493 177.633 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 14.3 mmmm -78.2 106.67 10.26 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 121.257 0.551 . . . . 74.23 110.508 -179.33 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -74.15 108.07 6.73 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.386 -0.825 . . . . 73.33 110.519 179.016 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 57.8 m -81.72 136.48 35.46 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.829 -0.623 . . . . 73.01 109.419 178.284 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 31.3 mmtp -85.44 94.13 8.92 Favored 'General case' 0 C--N 1.321 -0.652 0 C-N-CA 120.788 -0.365 . . . . 71.44 110.333 179.364 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -63.18 104.27 0.57 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.963 -0.562 . . . . 61.44 110.171 176.178 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 13.1 mmm180 -95.59 131.23 42.02 Favored 'General case' 0 C--N 1.317 -0.839 0 CA-C-N 115.651 -0.704 . . . . 73.32 109.715 -177.811 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 23.8 pt -52.23 107.0 0.73 Allowed Pre-proline 0 CA--C 1.533 0.31 0 O-C-N 123.834 0.709 . . . . 64.42 112.266 -175.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 86.5 Cg_endo -96.12 -170.52 0.17 Allowed 'Trans proline' 0 N--CA 1.448 -1.153 0 C-N-CA 123.322 2.681 . . . . 52.42 112.135 -178.216 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 24.5 mp0 -84.05 131.04 52.43 Favored Pre-proline 0 C--N 1.32 -0.715 0 CA-C-N 115.931 -0.577 . . . . 60.22 109.657 176.427 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 31.1 Cg_exo -59.69 92.54 0.08 OUTLIER 'Trans proline' 0 C--O 1.234 0.308 0 C-N-CA 123.127 2.551 . . . . 52.23 113.048 -176.666 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 50.6 mtmt -132.18 -2.51 3.55 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.497 -0.774 . . . . 73.44 109.587 174.526 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . 0.51 ' ND2' ' HB ' ' A' ' 66' ' ' VAL . 15.8 p-10 -107.82 150.82 26.54 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.081 -0.963 . . . . 61.54 110.869 -176.663 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 33.8 p -65.8 -24.07 66.84 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 115.078 -0.964 . . . . 72.44 110.908 -179.393 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.51 ' HB ' ' ND2' ' A' ' 64' ' ' ASN . 38.8 t -56.85 -46.17 83.46 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 CA-C-N 115.442 -0.799 . . . . 55.04 110.353 176.512 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.553 ' O ' ' HG2' ' A' ' 71' ' ' GLU . . . -65.12 -39.68 93.42 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.417 -0.811 . . . . 72.43 110.217 178.488 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' MET . . . . . 0.414 ' HB2' HD11 ' A' ' 122' ' ' LEU . 82.6 mmm -58.93 -40.31 84.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.438 -0.801 . . . . 74.13 111.055 179.067 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.525 ' HB3' HD13 ' A' ' 76' ' ' LEU . 3.6 mt -65.58 -33.16 75.27 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.178 -0.464 . . . . 73.55 111.359 -179.849 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 26.1 m-80 -71.04 -19.97 62.43 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.181 0.515 . . . . 72.44 110.241 179.871 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.553 ' HG2' ' O ' ' A' ' 67' ' ' ALA . 19.2 mm-40 -84.23 -25.44 29.44 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.552 -0.749 . . . . 63.55 110.59 177.229 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 71.4 mt -96.26 -47.02 6.19 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 112.291 0.478 . . . . 74.24 112.291 -174.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 75.1 mmt-85 -130.89 161.13 32.53 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.259 0.552 . . . . 65.14 111.318 -179.615 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 5.5 p-80 -122.5 153.79 38.71 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 115.259 -0.882 . . . . 62.31 109.194 173.207 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 92.74 17.72 43.64 Favored Glycine 0 N--CA 1.445 -0.721 0 C-N-CA 120.341 -0.933 . . . . 75.25 111.651 -177.866 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.894 ' H ' HD23 ' A' ' 76' ' ' LEU . 1.3 pt? -85.01 133.26 34.25 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 110.032 -0.359 . . . . 54.14 110.032 179.03 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 2.6 mp -126.28 109.72 21.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 116.506 -0.316 . . . . 74.42 110.532 -178.689 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . 0.527 ' CE1' HD12 ' A' ' 76' ' ' LEU . 96.7 m-85 -86.81 119.41 27.01 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 109.864 -0.421 . . . . 64.03 109.864 176.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 16.6 ptpt -132.43 136.02 46.47 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-O 121.027 0.441 . . . . 71.15 110.749 -179.021 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.4 ' HA ' HD13 ' A' ' 94' ' ' ILE . 47.1 tp -79.23 100.33 7.45 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 109.308 -0.627 . . . . 64.43 109.308 175.845 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -92.48 -21.06 20.36 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 120.881 0.372 . . . . 72.44 111.739 -174.167 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . 0.519 ' HB2' ' HB ' ' A' ' 93' ' ' THR . 25.1 m -148.36 141.12 24.62 Favored 'General case' 0 C--N 1.319 -0.742 0 N-CA-C 109.95 -0.389 . . . . 71.04 109.95 178.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 21.3 tm0? -148.88 103.44 3.36 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 108.842 -0.799 . . . . 50.14 108.842 177.295 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 20.0 p -148.2 164.2 34.66 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.829 -0.623 . . . . 73.3 110.473 -175.516 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 129.78 -165.92 22.1 Favored Glycine 0 N--CA 1.445 -0.753 0 C-N-CA 120.277 -0.963 . . . . 64.43 112.517 174.493 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -75.24 172.24 16.73 Favored 'Trans proline' 0 N--CA 1.462 -0.354 0 C-N-CA 123.046 2.497 . . . . 73.45 111.668 177.755 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 10.5 p -90.21 -18.97 7.44 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 C-N-CA 120.842 -0.343 . . . . 60.01 110.566 -179.791 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 35.4 p-80 -79.2 -23.64 43.7 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-O 120.871 0.367 . . . . 72.22 110.413 178.039 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.529 ' HB1' ' HD2' ' A' ' 108' ' ' ARG . . . -159.91 75.9 2.95 Favored Pre-proline 0 C--N 1.327 -0.391 0 CA-C-N 116.105 -0.498 . . . . 71.21 110.475 179.561 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . 0.537 ' O ' ' HA ' ' A' ' 108' ' ' ARG . 3.7 Cg_exo -69.31 146.27 62.4 Favored 'Trans proline' 0 N--CA 1.455 -0.753 0 C-N-CA 122.127 1.884 . . . . 72.32 111.35 -179.249 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.405 HD11 ' HB3' ' A' ' 106' ' ' GLN . 2.7 tm? -98.92 114.9 27.73 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-O 121.476 0.655 . . . . 73.44 109.668 -179.573 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.467 ' O ' ' HA ' ' A' ' 106' ' ' GLN . 10.3 m-85 -101.37 134.67 44.09 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 115.085 -0.961 . . . . 64.14 108.673 178.345 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . 0.519 ' HB ' ' HB2' ' A' ' 82' ' ' SER . 19.6 m -119.37 103.25 9.3 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-O 120.992 0.425 . . . . 61.13 110.296 -177.514 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 0.4 HD13 ' HA ' ' A' ' 80' ' ' LEU . 8.5 mm -100.58 129.15 51.85 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.712 0 CA-C-N 115.619 -0.719 . . . . 71.33 109.547 179.242 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . 0.567 ' HB2' ' HD3' ' A' ' 102' ' ' LYS . 3.3 p -113.53 134.86 54.45 Favored 'General case' 0 C--N 1.314 -0.936 0 CA-C-O 120.968 0.413 . . . . 74.24 110.239 175.38 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.498 HG12 ' HB1' ' A' ' 117' ' ' ALA . 7.7 p -132.17 128.51 59.05 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.876 0 CA-C-N 115.814 -0.63 . . . . 64.0 109.89 176.152 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 20.6 tt0 -97.12 112.3 24.14 Favored 'General case' 0 C--N 1.314 -0.942 0 N-CA-C 109.523 -0.547 . . . . 51.21 109.523 178.634 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . 0.4 ' HB ' ' HE2' ' A' ' 103' ' ' TYR . 59.3 t -123.07 123.6 68.29 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.891 0 CA-C-N 115.513 -0.767 . . . . 70.54 110.408 -175.591 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 20.0 t70 68.84 2.66 3.61 Favored 'General case' 0 CA--C 1.533 0.291 0 CA-C-N 115.782 -0.645 . . . . 70.22 111.222 175.132 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 116.35 -17.68 14.16 Favored Glycine 0 N--CA 1.449 -0.465 0 C-N-CA 121.095 -0.574 . . . . 62.42 111.921 -177.502 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' GLN . . . . . 0.423 ' HA ' ' NE2' ' A' ' 101' ' ' GLN . 13.9 mm-40 -97.56 138.66 34.64 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 120.819 0.342 . . . . 73.14 110.8 179.5 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . 0.567 ' HD3' ' HB2' ' A' ' 95' ' ' SER . 3.2 tmmm? -100.42 109.08 21.22 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 121.106 0.479 . . . . 74.1 109.774 -177.338 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' TYR . . . . . 0.424 ' CE1' ' HA ' ' A' ' 121' ' ' ALA . 67.5 m-85 -97.82 129.56 44.79 Favored 'General case' 0 C--N 1.315 -0.931 0 CA-C-N 115.561 -0.745 . . . . 74.23 109.844 -179.038 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.485 ' CD1' ' HB3' ' A' ' 95' ' ' SER . 14.2 tp -106.8 136.29 46.87 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.096 -0.502 . . . . 72.33 110.166 -176.598 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -127.02 129.86 6.69 Favored Glycine 0 N--CA 1.447 -0.582 0 C-N-CA 120.931 -0.652 . . . . 74.03 111.719 -179.323 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . 0.467 ' HA ' ' O ' ' A' ' 92' ' ' PHE . 22.2 mt-30 -124.09 114.74 20.1 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-O 120.814 0.34 . . . . 65.32 110.73 -176.094 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -137.04 -171.8 12.31 Favored Glycine 0 N--CA 1.449 -0.469 0 CA-C-N 115.969 -0.559 . . . . 73.31 112.195 -177.399 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . 0.537 ' HA ' ' O ' ' A' ' 90' ' ' PRO . 36.0 mmt180 -91.69 0.71 57.47 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.993 0.425 . . . . 75.3 111.315 -176.843 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 39.7 m -158.57 165.13 35.25 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 108.999 -0.741 . . . . 74.31 108.999 179.37 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 88.7 mttt -53.37 -43.22 67.63 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-O 121.245 0.545 . . . . 64.32 110.146 177.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 79.6 tttt -61.75 -53.13 60.19 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 114.909 -1.042 . . . . 75.12 111.176 -178.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 24.0 t -58.14 -49.4 81.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.045 -0.525 . . . . 75.12 110.704 -179.599 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -62.89 -37.71 88.02 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.97 -0.559 . . . . 72.14 111.5 -177.794 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 10.0 ttm180 -64.09 -50.53 67.96 Favored 'General case' 0 C--N 1.323 -0.543 0 CA-C-N 115.703 -0.68 . . . . 75.42 110.295 179.371 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 77.2 mt -56.24 -45.15 81.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 115.257 -0.883 . . . . 74.33 111.321 174.099 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -57.91 -45.21 86.85 Favored 'General case' 0 C--O 1.236 0.348 0 CA-C-O 120.783 0.325 . . . . 63.42 111.475 178.163 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . 0.498 ' HB1' HG12 ' A' ' 96' ' ' VAL . . . -61.32 -44.72 96.73 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.099 0.476 . . . . 73.54 110.631 178.776 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . 0.456 ' O ' ' HG ' ' A' ' 122' ' ' LEU . . . -67.82 -36.89 81.18 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.844 -0.616 . . . . 65.43 111.155 -179.616 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -62.67 -37.48 86.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.051 0.453 . . . . 72.25 110.495 178.687 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 29.6 m -64.0 -40.03 95.44 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.603 -0.726 . . . . 74.12 110.313 177.735 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . 0.424 ' HA ' ' CE1' ' A' ' 103' ' ' TYR . . . -64.92 -48.31 74.6 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.887 -0.597 . . . . 63.35 110.822 178.311 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . 0.456 ' HG ' ' O ' ' A' ' 118' ' ' ALA . 61.7 mt -57.78 -46.33 84.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.976 -0.556 . . . . 74.44 111.093 -178.922 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 123' ' ' ARG . . . . . 0.442 HH11 ' HD3' ' A' ' 123' ' ' ARG . 13.6 ptt180 -73.14 -10.91 60.28 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.426 -0.352 . . . . 75.24 111.162 -177.308 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 12.7 t -84.22 -26.3 28.81 Favored 'General case' 0 N--CA 1.449 -0.505 0 N-CA-C 109.647 -0.501 . . . . 72.34 109.647 174.619 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 125' ' ' PHE . . . . . 0.412 ' HB2' HD13 ' A' ' 126' ' ' ILE . 28.9 m-85 -86.26 -60.46 2.0 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.969 -0.559 . . . . 65.12 110.169 178.47 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 126' ' ' ILE . . . . . 0.432 HD13 ' H ' ' A' ' 126' ' ' ILE . 0.2 OUTLIER -128.5 -174.92 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 115.766 -0.652 . . . . 61.33 110.934 -173.731 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 4.0 pt20 -126.88 -146.86 0.34 Allowed 'General case' 0 C--N 1.318 -0.786 0 CA-C-N 115.794 -0.639 . . . . 71.02 110.498 178.864 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 61.3 m-85 70.58 81.9 0.16 Allowed 'General case' 0 N--CA 1.466 0.352 0 CA-C-O 121.561 0.696 . . . . 64.51 109.611 -174.811 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 51.9 mttm -98.26 120.69 39.11 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.326 -0.852 . . . . 63.21 111.465 -171.224 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -72.06 -55.37 7.49 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 109.667 -0.494 . . . . 73.12 109.667 174.077 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 80.48 10.04 85.76 Favored Glycine 0 N--CA 1.453 -0.201 0 C-N-CA 120.951 -0.642 . . . . 63.4 113.8 171.569 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -68.17 154.21 42.18 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 117.025 0.413 . . . . 51.22 110.98 178.659 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 45.3 t -84.64 96.15 4.5 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 CA-C-O 121.191 0.52 . . . . 23.12 110.537 -177.822 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 33.7 tp -92.83 -14.56 27.59 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.942 0.877 . . . . 71.32 109.678 175.776 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 58.1 m -163.92 161.59 16.8 Favored Pre-proline 0 C--N 1.31 -1.121 0 CA-C-N 114.17 -1.377 . . . . 73.22 108.751 -178.203 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 136' ' ' PRO . . . . . . . . . . . . . 30.8 Cg_endo -65.77 87.42 0.23 Allowed 'Trans proline' 0 C--O 1.235 0.371 0 C-N-CA 122.155 1.903 . . . . 74.13 111.536 174.795 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 3.9 pp -160.45 164.22 32.4 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.836 -0.62 . . . . 64.12 110.549 -177.89 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 138' ' ' LYS . . . . . 0.42 ' HA ' ' HD3' ' A' ' 139' ' ' PRO . 44.8 mmtm -120.0 110.32 36.59 Favored Pre-proline 0 C--N 1.323 -0.574 0 CA-C-N 116.288 -0.415 . . . . 54.43 110.105 176.823 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 139' ' ' PRO . . . . . 0.42 ' HD3' ' HA ' ' A' ' 138' ' ' LYS . 14.3 Cg_endo -83.87 128.84 4.58 Favored 'Trans proline' 0 N--CA 1.45 -1.03 0 C-N-CA 122.726 2.284 . . . . 74.2 112.093 -178.584 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.872 0 CA-C-O 118.622 -0.704 . . . . 62.35 110.1 178.045 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.541 ' O ' ' HD3' ' A' ' 50' ' ' PRO . 16.7 m . . . . . 0 N--CA 1.476 0.853 0 CA-C-O 120.7 0.286 . . . . 60.5 110.539 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -107.09 100.89 35.12 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 120.724 0.297 . . . . 75.34 111.611 -176.514 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.541 ' HD3' ' O ' ' A' ' 48' ' ' SER . 5.3 Cg_endo -88.06 18.18 1.56 Allowed 'Trans proline' 0 N--CA 1.455 -0.792 0 C-N-CA 123.303 2.669 . . . . 63.51 111.167 174.479 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -69.71 143.99 52.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.752 -0.658 . . . . 71.04 110.415 -179.354 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.682 ' HE3' ' HA ' ' A' ' 52' ' ' LYS . 0.0 OUTLIER -130.31 42.42 3.26 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.883 -0.598 . . . . 61.43 110.514 179.782 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.421 ' O ' HG12 ' A' ' 77' ' ' ILE . 66.8 mttm -74.79 53.79 0.6 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.87 -0.605 . . . . 71.31 111.046 178.23 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 26.4 ptt? -91.27 150.64 21.24 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 120.95 0.405 . . . . 71.51 110.151 -178.672 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 61.2 m -87.86 100.22 12.71 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 116.063 -0.517 . . . . 73.21 110.262 -178.18 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 76.3 tttt -75.99 87.27 2.92 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 109.823 -0.436 . . . . 71.42 109.823 177.43 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -106.49 109.95 22.02 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.966 -0.561 . . . . 60.24 110.203 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 21.2 mmt180 -128.43 102.76 6.78 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.942 -0.572 . . . . 75.24 110.356 179.009 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 33.9 pt -118.64 156.28 51.6 Favored Pre-proline 0 C--N 1.32 -0.682 0 CA-C-N 115.823 -0.626 . . . . 65.25 109.868 178.265 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 19.7 Cg_exo -66.77 161.56 41.4 Favored 'Trans proline' 0 N--CA 1.464 -0.255 0 C-N-CA 122.711 2.274 . . . . 60.12 111.547 174.616 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . 0.808 ' HB3' ' HE2' ' A' ' 63' ' ' LYS . 18.1 mm-40 66.81 86.74 0.13 Allowed Pre-proline 0 N--CA 1.465 0.284 0 O-C-N 123.605 0.565 . . . . 73.33 111.137 179.89 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 6.6 Cg_exo -74.94 45.58 1.36 Allowed 'Trans proline' 0 CA--C 1.532 0.376 0 C-N-CA 123.398 2.732 . . . . 53.33 112.757 -179.18 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.808 ' HE2' ' HB3' ' A' ' 61' ' ' GLN . 47.0 mtmt -83.57 -17.38 41.94 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.376 0.608 . . . . 54.14 110.049 179.367 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . 0.585 ' ND2' ' HB ' ' A' ' 66' ' ' VAL . 20.3 p-10 -93.14 141.43 28.43 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.37 -0.832 . . . . 63.0 110.743 179.538 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 40.8 p -59.81 -23.53 63.41 Favored 'General case' 0 C--N 1.316 -0.876 0 CA-C-N 114.674 -1.148 . . . . 64.01 111.328 179.215 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.585 ' HB ' ' ND2' ' A' ' 64' ' ' ASN . 65.7 t -57.6 -49.19 81.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 115.398 -0.819 . . . . 71.25 110.872 176.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.649 ' HA ' ' OD1' ' A' ' 70' ' ' ASN . . . -66.64 -32.41 73.72 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.079 0.466 . . . . 70.34 110.379 -179.786 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 78.7 mmm -60.71 -41.74 95.85 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.731 -0.668 . . . . 74.3 110.258 175.79 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.465 ' HB3' HD13 ' A' ' 76' ' ' LEU . 7.3 mt -64.14 -33.08 74.96 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.061 -0.518 . . . . 70.32 110.998 176.851 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . 0.649 ' OD1' ' HA ' ' A' ' 67' ' ' ALA . 12.1 m120 -62.45 -33.18 74.32 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.298 0.57 . . . . 74.22 109.949 -177.415 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -83.46 -24.51 31.78 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.173 -0.921 . . . . 74.51 110.759 -176.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 69.5 mt -85.85 -70.41 0.6 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.35 -0.386 . . . . 63.21 111.792 -177.107 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 7.0 mmm180 -133.21 141.27 47.98 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.64 -0.255 . . . . 73.5 110.619 -171.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 2.5 p-80 -94.57 176.88 6.12 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.483 -0.326 . . . . 72.45 110.141 175.657 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 85.76 9.12 78.68 Favored Glycine 0 N--CA 1.448 -0.511 0 C-N-CA 120.777 -0.725 . . . . 63.12 111.534 -177.117 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.8 ' H ' HD23 ' A' ' 76' ' ' LEU . 1.9 pt? -77.1 120.61 22.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.386 0.613 . . . . 72.13 111.152 -178.066 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.701 ' O ' ' HA ' ' A' ' 96' ' ' VAL . 2.9 mt -114.37 111.28 35.27 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-N 115.911 -0.586 . . . . 63.34 110.784 179.52 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . 0.469 ' CE2' HD12 ' A' ' 76' ' ' LEU . 98.8 m-85 -89.88 110.6 21.54 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.836 0.351 . . . . 74.11 110.086 174.525 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 38.8 pttt -132.91 130.14 39.26 Favored 'General case' 0 C--N 1.316 -0.875 0 CA-C-N 116.251 -0.431 . . . . 64.21 110.806 -179.21 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.536 HD21 ' HB2' ' A' ' 83' ' ' GLN . 28.2 tp -72.22 107.13 4.7 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 109.218 -0.66 . . . . 75.25 109.218 175.721 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -91.09 -22.26 20.81 Favored 'General case' 0 C--N 1.319 -0.721 0 C-N-CA 120.479 -0.488 . . . . 74.42 111.253 -176.82 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 49.2 m -151.95 141.73 21.92 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.724 -0.216 . . . . 74.35 110.64 179.35 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . 0.536 ' HB2' HD21 ' A' ' 80' ' ' LEU . 0.5 OUTLIER -135.64 104.82 5.93 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 109.405 -0.591 . . . . 70.45 109.405 177.499 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 3.6 p -135.52 -163.88 1.46 Allowed 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.695 -0.684 . . . . 71.14 110.527 -176.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . 0.409 ' HA3' ' H ' ' A' ' 91' ' ' LEU . . . 104.19 -174.43 22.2 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.898 -0.668 . . . . 25.2 112.99 171.08 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 59.1 Cg_endo -72.25 -178.58 3.35 Favored 'Trans proline' 0 N--CA 1.462 -0.327 0 C-N-CA 122.752 2.302 . . . . 74.02 111.824 177.11 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 13.4 p -95.98 -23.91 4.77 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 C-N-CA 120.535 -0.466 . . . . 62.24 110.553 179.212 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 36.5 p-80 -75.45 -25.54 57.54 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-O 120.801 0.334 . . . . 75.41 110.364 178.036 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.429 ' HB1' ' HD2' ' A' ' 108' ' ' ARG . . . -162.08 75.98 2.2 Favored Pre-proline 0 CA--C 1.518 -0.286 0 CA-C-N 116.151 -0.477 . . . . 65.4 110.168 -178.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . 0.577 ' O ' ' HA ' ' A' ' 108' ' ' ARG . 6.6 Cg_exo -64.13 151.23 86.21 Favored 'Trans proline' 0 N--CA 1.453 -0.907 0 C-N-CA 121.86 1.706 . . . . 70.22 111.971 -176.769 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.41 HD11 ' HB3' ' A' ' 106' ' ' GLN . 2.6 tm? -95.17 115.2 27.12 Favored 'General case' 0 N--CA 1.441 -0.917 0 N-CA-C 109.071 -0.715 . . . . 74.25 109.071 -179.537 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.434 ' O ' ' HA ' ' A' ' 106' ' ' GLN . 17.4 m-85 -101.95 132.15 47.93 Favored 'General case' 0 C--N 1.311 -1.072 0 CA-C-N 115.38 -0.827 . . . . 75.21 108.991 179.211 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . 0.443 HG22 HD11 ' A' ' 104' ' ' LEU . 23.7 m -113.63 96.99 6.15 Favored 'General case' 0 N--CA 1.442 -0.867 0 CA-C-O 121.035 0.445 . . . . 62.54 109.988 -177.563 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 0.574 HG21 ' HA ' ' A' ' 114' ' ' ARG . 7.1 mm -95.07 127.77 46.77 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.862 0 CA-C-N 115.56 -0.746 . . . . 73.34 109.348 179.39 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . 0.529 ' HB2' ' HD3' ' A' ' 102' ' ' LYS . 19.0 p -107.42 121.91 45.54 Favored 'General case' 0 C--N 1.306 -1.306 0 CA-C-N 115.453 -0.794 . . . . 72.44 109.344 177.747 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.701 ' HA ' ' O ' ' A' ' 77' ' ' ILE . 9.6 p -113.6 115.79 50.73 Favored 'Isoleucine or valine' 0 N--CA 1.439 -0.983 0 CA-C-O 121.821 0.82 . . . . 74.15 109.876 175.559 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . 0.538 ' HA ' ' HA ' ' A' ' 102' ' ' LYS . 5.4 tt0 -92.37 110.11 21.51 Favored 'General case' 0 C--N 1.307 -1.27 0 CA-C-N 115.336 -0.847 . . . . 74.41 109.391 -179.82 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 24.6 t -119.22 123.62 71.64 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.684 0 CA-C-N 115.493 -0.776 . . . . 64.32 110.491 -174.444 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 1.2 t70 59.72 17.29 6.2 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.468 -0.787 . . . . 71.11 111.402 178.896 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 104.92 -12.17 49.41 Favored Glycine 0 N--CA 1.449 -0.452 0 C-N-CA 121.007 -0.616 . . . . 43.52 112.685 -179.203 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' GLN . . . . . 0.453 ' HB3' ' CE2' ' A' ' 103' ' ' TYR . 3.4 tp60 -100.44 124.91 46.58 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 109.766 -0.457 . . . . 63.23 109.766 -179.781 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . 0.538 ' HA ' ' HA ' ' A' ' 97' ' ' GLU . 5.2 tmmm? -88.44 109.26 19.88 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 121.119 0.485 . . . . 73.55 110.656 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' TYR . . . . . 0.453 ' CE2' ' HB3' ' A' ' 101' ' ' GLN . 86.2 m-85 -95.55 135.25 37.45 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.482 -0.781 . . . . 73.04 109.563 178.055 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.443 HD11 HG22 ' A' ' 93' ' ' THR . 12.1 tp -105.32 137.03 43.77 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 120.995 0.426 . . . . 63.23 111.031 -175.441 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . 0.524 ' HA3' ' N ' ' A' ' 117' ' ' ALA . . . -131.6 129.26 5.61 Favored Glycine 0 N--CA 1.445 -0.717 0 N-CA-C 111.415 -0.674 . . . . 53.41 111.415 178.055 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . 0.434 ' HA ' ' O ' ' A' ' 92' ' ' PHE . 25.9 mt-30 -120.46 116.13 24.83 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-O 120.911 0.386 . . . . 54.34 110.797 -175.038 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -133.67 -169.22 12.04 Favored Glycine 0 N--CA 1.446 -0.672 0 CA-C-N 115.697 -0.683 . . . . 71.43 111.792 -177.908 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . 0.577 ' HA ' ' O ' ' A' ' 90' ' ' PRO . 11.1 mmt180 -100.5 6.13 44.24 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.275 0.56 . . . . 73.23 110.866 -176.932 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . 0.418 ' HB2' HG23 ' A' ' 112' ' ' VAL . 16.0 m -159.56 163.71 34.89 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 108.169 -1.049 . . . . 63.52 108.169 176.455 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 86.8 mttt -57.06 -41.15 78.23 Favored 'General case' 0 C--N 1.331 -0.222 0 N-CA-C 109.405 -0.591 . . . . 74.14 109.405 174.89 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 72.1 tttt -55.36 -53.53 55.0 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-N 114.982 -1.008 . . . . 72.31 110.544 177.859 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . 0.71 ' O ' ' HG2' ' A' ' 116' ' ' GLU . 24.6 t -62.17 -55.57 23.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 115.278 -0.874 . . . . 72.51 110.532 -178.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -56.68 -36.65 69.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.863 -0.608 . . . . 71.11 111.859 -175.405 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' ARG . . . . . 0.574 ' HA ' HG21 ' A' ' 94' ' ' ILE . 34.9 ttp180 -61.2 -48.07 83.22 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.956 -0.565 . . . . 74.11 110.227 178.294 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 69.4 mt -62.4 -46.41 96.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 115.452 -0.795 . . . . 72.13 111.402 175.238 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . 0.71 ' HG2' ' O ' ' A' ' 112' ' ' VAL . 12.8 mm-40 -60.08 -36.59 77.72 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.975 0.417 . . . . 75.11 111.34 -179.512 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . 0.614 ' HB1' HG12 ' A' ' 96' ' ' VAL . . . -63.04 -49.48 74.41 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.844 -0.617 . . . . 72.31 110.653 176.757 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . 0.525 ' O ' ' HG ' ' A' ' 122' ' ' LEU . . . -63.7 -31.96 73.29 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.373 -0.83 . . . . 71.52 110.922 179.58 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -60.82 -41.51 95.86 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.159 -0.473 . . . . 41.42 110.818 177.832 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 120' ' ' THR . . . . . 0.758 ' HA ' ' HE ' ' A' ' 123' ' ' ARG . 85.8 m -68.33 -38.62 81.72 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.034 0.445 . . . . 74.34 110.586 177.787 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -57.88 -50.51 73.08 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.937 -0.574 . . . . 72.41 110.859 177.009 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . 0.525 ' HG ' ' O ' ' A' ' 118' ' ' ALA . 75.8 mt -56.41 -52.62 63.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.994 -0.548 . . . . 75.53 111.089 -179.193 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 123' ' ' ARG . . . . . 0.758 ' HE ' ' HA ' ' A' ' 120' ' ' THR . 14.2 ptt180 -70.14 -6.26 32.91 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.266 -0.424 . . . . 65.44 111.862 -175.361 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -94.41 -21.24 19.06 Favored 'General case' 0 N--CA 1.448 -0.563 0 N-CA-C 109.658 -0.497 . . . . 74.12 109.658 175.488 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 28.7 m-85 -85.43 -44.54 12.66 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 61.1 110.455 177.753 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 126' ' ' ILE . . . . . 0.512 HD13 ' O ' ' A' ' 122' ' ' LEU . 0.2 OUTLIER -128.18 145.95 34.49 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-O 121.131 0.491 . . . . 72.35 110.327 176.826 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 9.1 mm-40 -123.13 142.13 51.22 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 115.728 -0.669 . . . . 74.03 110.607 178.658 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 38.0 m-85 -97.66 -79.28 0.47 Allowed 'General case' 0 C--N 1.319 -0.738 0 N-CA-C 108.948 -0.76 . . . . 74.01 108.948 178.217 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 9.3 ptpp? 175.7 146.79 0.08 Allowed 'General case' 0 CA--C 1.519 -0.241 0 CA-C-N 115.611 -0.722 . . . . 74.1 109.808 173.887 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -97.32 -31.53 12.36 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 108.817 -0.808 . . . . 75.14 108.817 175.263 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 83.88 -33.03 3.13 Favored Glycine 0 N--CA 1.449 -0.49 0 CA-C-N 115.461 -0.791 . . . . 72.24 111.956 -179.37 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -97.55 143.24 28.44 Favored 'General case' 0 N--CA 1.445 -0.707 0 N-CA-C 110.006 -0.368 . . . . 74.42 110.006 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 24.2 m -86.4 134.44 27.37 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 CA-C-O 121.099 0.476 . . . . 70.52 110.8 -179.154 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -111.1 95.76 5.73 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.888 -0.596 . . . . 71.22 110.162 178.271 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 1.1 m -77.63 118.55 72.78 Favored Pre-proline 0 C--N 1.321 -0.638 0 CA-C-N 115.662 -0.699 . . . . 61.01 110.51 -175.317 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 136' ' ' PRO . . . . . . . . . . . . . 16.5 Cg_exo -68.32 101.38 0.72 Allowed 'Trans proline' 0 C--O 1.235 0.343 0 C-N-CA 122.595 2.196 . . . . 43.21 111.016 174.678 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 53.7 mt -126.25 169.27 13.05 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.159 -0.473 . . . . 60.4 110.113 -175.907 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 138' ' ' LYS . . . . . 0.704 ' HB3' ' HD3' ' A' ' 139' ' ' PRO . 3.9 tmtp? -92.92 -56.44 0.24 Allowed Pre-proline 0 C--N 1.322 -0.591 0 N-CA-C 109.757 -0.46 . . . . 75.13 109.757 175.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 139' ' ' PRO . . . . . 0.704 ' HD3' ' HB3' ' A' ' 138' ' ' LYS . 84.2 Cg_endo -90.56 54.57 1.2 Allowed 'Trans proline' 0 C--N 1.353 0.808 0 C-N-CA 122.204 1.936 . . . . 52.11 111.355 175.159 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.073 0 CA-C-N 115.529 -0.76 . . . . 65.3 111.046 -176.793 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 28.8 m . . . . . 0 N--CA 1.476 0.843 0 CA-C-O 120.555 0.217 . . . . 43.15 111.183 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.491 ' OD2' ' HB2' ' A' ' 51' ' ' LYS . 7.6 p-10 -153.49 164.24 21.14 Favored Pre-proline 0 C--N 1.329 -0.292 0 N-CA-C 109.76 -0.459 . . . . 61.3 109.76 -177.174 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo -53.25 -73.09 0.04 OUTLIER 'Trans proline' 0 C--N 1.35 0.631 0 C-N-CA 122.525 2.15 . . . . 75.32 111.907 177.863 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.491 ' HB2' ' OD2' ' A' ' 49' ' ' ASP . 1.7 tppp? 64.18 1.83 1.32 Allowed 'General case' 0 N--CA 1.47 0.571 0 N-CA-C 112.571 0.582 . . . . 75.22 112.571 172.368 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 2.9 ptpp? -92.28 77.72 5.17 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.394 0.616 . . . . 71.33 111.241 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 24.1 ttmm -90.62 126.06 35.84 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 108.643 -0.873 . . . . 62.42 108.643 173.854 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 52.4 ttm -54.31 -37.91 65.35 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.043 0.449 . . . . 73.32 111.466 -175.652 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 19.3 p -170.21 149.82 3.54 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.916 -0.584 . . . . 70.24 109.44 178.729 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 11.1 mptt -81.51 92.24 6.46 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 109.086 -0.709 . . . . 73.12 109.086 174.717 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -74.52 100.01 3.76 Favored 'General case' 0 N--CA 1.446 -0.668 0 N-CA-C 109.676 -0.49 . . . . 70.4 109.676 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 40.0 ttt180 -66.3 110.08 2.92 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.202 -0.908 . . . . 42.45 111.117 -177.134 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.413 ' HA ' ' HD3' ' A' ' 60' ' ' PRO . 35.5 pt -100.71 128.95 28.65 Favored Pre-proline 0 C--N 1.322 -0.618 0 CA-C-N 115.894 -0.594 . . . . 73.11 110.807 -179.635 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . 0.413 ' HD3' ' HA ' ' A' ' 59' ' ' ILE . 7.7 Cg_exo -73.33 -33.7 6.81 Favored 'Trans proline' 0 C--O 1.234 0.276 0 C-N-CA 122.584 2.19 . . . . 72.12 111.282 176.294 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . 0.416 ' CD ' ' HD2' ' A' ' 62' ' ' PRO . 55.3 tp60 -164.97 129.31 1.81 Allowed Pre-proline 0 C--N 1.324 -0.523 0 CA-C-N 115.214 -0.903 . . . . 60.22 108.941 -178.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . 0.435 ' HA ' ' HB3' ' A' ' 67' ' ' ALA . 58.3 Cg_endo -72.01 41.13 0.46 Allowed 'Trans proline' 0 CA--C 1.533 0.449 0 C-N-CA 122.707 2.271 . . . . 71.22 112.708 178.023 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -78.58 -21.73 48.18 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.202 0.525 . . . . 75.02 109.712 178.288 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 25.3 p-10 -90.61 140.34 29.85 Favored 'General case' 0 CA--C 1.511 -0.547 0 N-CA-C 108.924 -0.769 . . . . 70.23 108.924 171.785 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.416 HG21 ' HB2' ' A' ' 119' ' ' ALA . 41.5 p -64.07 -21.97 66.74 Favored 'General case' 0 C--N 1.311 -1.084 0 CA-C-N 114.991 -1.004 . . . . 74.31 111.436 -175.491 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 38.6 t -59.04 -46.69 91.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 115.653 -0.703 . . . . 73.35 110.471 177.812 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.435 ' HB3' ' HA ' ' A' ' 62' ' ' PRO . . . -66.89 -38.72 86.79 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.737 -0.665 . . . . 43.54 110.26 178.403 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' MET . . . . . 0.468 ' HB2' HD11 ' A' ' 122' ' ' LEU . 85.1 mmm -58.64 -44.01 89.93 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.576 -0.738 . . . . 73.53 111.053 178.686 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.742 ' HB3' HD13 ' A' ' 76' ' ' LEU . 1.0 OUTLIER -62.22 -35.64 79.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.98 -0.554 . . . . 73.52 111.245 -179.368 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . 0.445 ' ND2' HD11 ' A' ' 76' ' ' LEU . 22.8 m-80 -70.07 -22.69 63.03 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.284 0.564 . . . . 63.32 110.357 -178.768 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -81.13 -34.47 32.49 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.587 -0.733 . . . . 62.25 110.349 178.191 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 67.8 mt -81.4 -59.95 2.45 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.904 -0.589 . . . . 53.43 111.572 -177.584 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 27.2 mmm180 -129.85 164.98 22.95 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 110.219 -0.289 . . . . 74.0 110.219 -174.254 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 12.6 p-80 -119.78 164.37 16.08 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 109.541 -0.54 . . . . 74.43 109.541 175.217 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 85.79 31.53 20.79 Favored Glycine 0 N--CA 1.442 -0.937 0 C-N-CA 120.38 -0.914 . . . . 70.12 111.08 -177.755 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.823 ' H ' HD23 ' A' ' 76' ' ' LEU . 1.3 pt? -98.06 101.67 13.21 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.203 0.525 . . . . 75.33 110.397 -179.518 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 4.6 mp -102.01 110.8 29.71 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 CA-C-N 116.254 -0.43 . . . . 74.21 110.551 -178.349 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . 0.415 ' CE1' HD12 ' A' ' 76' ' ' LEU . 81.5 m-85 -86.22 129.3 34.89 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.286 -0.416 . . . . 73.15 109.902 176.133 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 13.8 ptpt -139.91 147.21 40.25 Favored 'General case' 0 C--N 1.32 -0.716 0 N-CA-C 110.008 -0.368 . . . . 75.23 110.008 179.224 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.504 HD22 ' HE2' ' A' ' 110' ' ' LYS . 44.9 tp -86.06 104.63 15.83 Favored 'General case' 0 C--N 1.319 -0.738 0 N-CA-C 109.327 -0.62 . . . . 71.15 109.327 175.677 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -90.39 -23.29 21.11 Favored 'General case' 0 C--N 1.325 -0.486 0 C-N-CA 120.187 -0.605 . . . . 74.3 111.71 -176.235 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 48.8 m -153.56 143.87 22.31 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.732 0.301 . . . . 73.51 110.829 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 22.1 tm0? -146.32 111.24 5.29 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 109.406 -0.59 . . . . 72.21 109.406 177.251 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 18.5 p -144.26 146.57 32.73 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.197 -0.456 . . . . 35.0 110.755 -178.404 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 137.05 -179.99 17.41 Favored Glycine 0 N--CA 1.448 -0.525 0 C-N-CA 120.177 -1.011 . . . . 61.42 113.3 173.376 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 40.0 Cg_endo -67.81 -178.2 1.54 Allowed 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 123.208 2.605 . . . . 73.1 112.336 177.467 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 7.6 p -89.33 -30.97 5.25 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-O 120.832 0.348 . . . . 64.53 111.115 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 32.3 p-80 -72.89 -28.08 62.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.048 0.452 . . . . 71.12 110.246 179.373 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -148.68 75.01 10.27 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-N 115.841 -0.618 . . . . 53.15 110.597 178.367 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . 0.575 ' O ' ' HA ' ' A' ' 108' ' ' ARG . 1.8 Cg_endo -78.5 134.56 12.54 Favored 'Trans proline' 0 N--CA 1.454 -0.798 0 C-N-CA 122.443 2.095 . . . . 74.53 111.087 177.932 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.457 HD21 ' HB3' ' A' ' 106' ' ' GLN . 3.2 tm? -92.63 113.89 26.3 Favored 'General case' 0 C--N 1.315 -0.909 0 CA-C-O 121.519 0.676 . . . . 60.15 109.997 -178.334 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.497 ' CE1' ' HB2' ' A' ' 90' ' ' PRO . 26.2 m-85 -100.85 134.34 43.97 Favored 'General case' 0 C--N 1.315 -0.911 0 CA-C-N 114.996 -1.002 . . . . 74.15 109.252 177.861 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . 0.493 HG22 HD11 ' A' ' 104' ' ' LEU . 13.8 m -117.54 98.67 6.51 Favored 'General case' 0 N--CA 1.443 -0.823 0 N-CA-C 109.898 -0.408 . . . . 52.43 109.898 -178.297 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 0.443 HG21 ' HA ' ' A' ' 114' ' ' ARG . 7.5 mm -96.3 128.78 47.18 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.757 0 CA-C-N 115.684 -0.689 . . . . 63.42 109.927 -179.226 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . 0.591 ' HB2' ' HD3' ' A' ' 102' ' ' LYS . 1.9 p -109.4 130.09 55.51 Favored 'General case' 0 C--N 1.311 -1.098 0 CA-C-N 115.664 -0.698 . . . . 73.45 110.382 177.827 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.51 HG12 ' HB1' ' A' ' 117' ' ' ALA . 7.7 p -122.96 124.93 71.43 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.843 0 CA-C-O 121.284 0.564 . . . . 65.33 109.939 176.642 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 7.4 tt0 -97.29 111.72 23.84 Favored 'General case' 0 C--N 1.313 -0.981 0 CA-C-N 115.915 -0.584 . . . . 75.52 109.499 -178.857 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 38.2 t -124.64 125.37 69.92 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 CA-C-N 115.941 -0.572 . . . . 64.14 110.605 -174.88 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 12.9 t70 61.21 7.47 1.66 Allowed 'General case' 0 N--CA 1.47 0.537 0 CA-C-N 115.649 -0.705 . . . . 51.11 111.895 178.676 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 113.55 -13.09 23.06 Favored Glycine 0 N--CA 1.447 -0.573 0 C-N-CA 120.732 -0.747 . . . . 74.13 112.317 -179.045 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' GLN . . . . . 0.53 ' HB3' ' CE2' ' A' ' 103' ' ' TYR . 8.7 tp60 -96.89 133.79 41.07 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 109.205 -0.665 . . . . 64.52 109.205 179.449 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . 0.591 ' HD3' ' HB2' ' A' ' 95' ' ' SER . 0.8 OUTLIER -96.62 106.2 18.43 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 121.205 0.526 . . . . 74.01 109.911 179.765 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' TYR . . . . . 0.53 ' CE2' ' HB3' ' A' ' 101' ' ' GLN . 86.8 m-85 -92.4 151.6 20.16 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.563 -0.744 . . . . 75.54 110.222 -178.799 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.493 HD11 HG22 ' A' ' 93' ' ' THR . 12.2 tp -123.16 139.16 54.35 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 120.881 0.372 . . . . 71.04 111.147 -175.03 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . 0.453 ' HA3' ' N ' ' A' ' 117' ' ' ALA . . . -133.87 133.26 6.81 Favored Glycine 0 N--CA 1.445 -0.743 0 N-CA-C 111.554 -0.618 . . . . 73.34 111.554 177.422 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . 0.467 ' HA ' ' O ' ' A' ' 92' ' ' PHE . 25.5 mt-30 -124.19 124.07 41.65 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 120.951 0.405 . . . . 73.42 110.96 -175.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -144.72 -179.75 21.32 Favored Glycine 0 C--O 1.227 -0.286 0 N-CA-C 111.022 -0.831 . . . . 72.42 111.022 -179.738 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . 0.575 ' HA ' ' O ' ' A' ' 90' ' ' PRO . 38.6 mmt-85 -83.76 4.53 28.55 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-N 117.539 0.669 . . . . 65.44 110.668 -179.048 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 67.1 m -160.83 161.33 31.89 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 109.406 -0.59 . . . . 65.34 109.406 -179.885 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . 0.504 ' HE2' HD22 ' A' ' 80' ' ' LEU . 97.0 mttt -54.02 -41.56 68.14 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-O 120.787 0.327 . . . . 71.32 110.466 177.074 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 81.0 tttt -54.64 -56.24 21.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.557 -0.747 . . . . 75.42 111.098 -179.776 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 48.0 t -65.19 -44.69 95.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 115.917 -0.583 . . . . 72.23 110.935 -178.094 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -61.43 -37.07 82.18 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.179 -0.464 . . . . 74.11 111.065 -178.477 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' ARG . . . . . 0.443 ' HA ' HG21 ' A' ' 94' ' ' ILE . 26.3 ttm180 -64.79 -46.28 82.72 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.968 -0.56 . . . . 72.31 110.296 178.658 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 82.6 mt -61.43 -48.75 87.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 115.567 -0.742 . . . . 74.22 110.882 177.007 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 14.1 mm-40 -59.92 -36.79 77.76 Favored 'General case' 0 C--N 1.321 -0.639 0 O-C-N 122.186 -0.321 . . . . 73.12 111.43 178.86 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . 0.51 ' HB1' HG12 ' A' ' 96' ' ' VAL . . . -61.51 -48.5 80.76 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.123 0.487 . . . . 64.42 110.275 176.038 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . 0.464 ' O ' ' HG ' ' A' ' 122' ' ' LEU . . . -66.47 -36.27 82.34 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.559 -0.746 . . . . 72.32 111.384 179.731 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . 0.416 ' HB2' HG21 ' A' ' 65' ' ' THR . . . -61.88 -38.39 88.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 74.04 110.441 178.62 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 22.8 m -64.01 -38.47 91.2 Favored 'General case' 0 N--CA 1.45 -0.436 0 CA-C-N 115.757 -0.656 . . . . 71.25 110.337 178.352 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -67.09 -47.35 71.49 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.084 -0.507 . . . . 72.4 110.716 177.914 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . 0.468 HD11 ' HB2' ' A' ' 68' ' ' MET . 42.6 mt -55.64 -49.65 72.3 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-N 116.179 -0.464 . . . . 60.34 111.089 -179.711 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 12.9 ptm180 -71.77 -13.14 61.62 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.907 -0.588 . . . . 63.15 111.53 -175.315 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 52.5 m -81.16 -29.91 34.56 Favored 'General case' 0 N--CA 1.438 -1.066 0 CA-C-O 121.043 0.449 . . . . 72.32 110.549 174.829 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 20.6 m-85 -81.6 -55.69 4.49 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.805 -0.634 . . . . 70.53 110.063 -178.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 126' ' ' ILE . . . . . 0.418 HD13 ' H ' ' A' ' 126' ' ' ILE . 0.2 OUTLIER -130.3 159.14 42.6 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.409 0 CA-C-O 121.333 0.587 . . . . 71.12 110.96 -177.811 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 127' ' ' GLN . . . . . 0.498 ' HG3' ' H ' ' A' ' 129' ' ' LYS . 8.6 tp-100 -139.27 146.05 39.92 Favored 'General case' 0 C--N 1.315 -0.912 0 CA-C-N 115.342 -0.845 . . . . 72.24 109.463 -178.873 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 68.3 m-85 -109.6 25.64 11.56 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.283 0.563 . . . . 73.11 110.49 -175.224 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . 0.498 ' H ' ' HG3' ' A' ' 127' ' ' GLN . 0.0 OUTLIER -139.96 -72.51 0.37 Allowed 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.597 -0.728 . . . . 45.44 110.085 -179.305 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 60.37 25.48 15.01 Favored 'General case' 0 N--CA 1.467 0.411 0 CA-C-N 115.608 -0.724 . . . . 44.21 111.72 178.351 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . -80.66 55.67 4.71 Favored Glycine 0 N--CA 1.449 -0.473 0 N-CA-C 111.27 -0.732 . . . . 54.43 111.27 176.108 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -106.32 164.71 11.81 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 120.946 0.403 . . . . 43.54 110.885 -175.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 9.9 p -95.23 10.9 4.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-O 122.342 1.068 . . . . 74.54 109.68 178.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 47.8 tp -120.29 122.09 40.09 Favored 'General case' 0 C--N 1.315 -0.901 0 CA-C-N 114.575 -1.193 . . . . 55.11 110.482 -176.528 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 41.4 m -77.07 159.23 78.77 Favored Pre-proline 0 C--N 1.319 -0.756 0 CA-C-N 115.826 -0.625 . . . . 74.33 109.883 175.307 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 136' ' ' PRO . . . . . . . . . . . . . 22.6 Cg_exo -64.67 84.49 0.17 Allowed 'Trans proline' 0 C--N 1.347 0.451 0 C-N-CA 122.507 2.138 . . . . 60.51 111.542 175.87 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 87.0 mt -77.37 85.95 3.77 Favored 'General case' 0 N--CA 1.452 -0.356 0 CA-C-O 121.221 0.534 . . . . 74.2 110.759 -177.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.54 116.86 67.35 Favored Pre-proline 0 C--N 1.32 -0.706 0 CA-C-N 115.678 -0.692 . . . . 73.23 110.245 177.93 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 27.4 Cg_endo -65.04 -47.02 5.18 Favored 'Trans proline' 0 N--CA 1.464 -0.246 0 C-N-CA 122.47 2.113 . . . . 74.42 112.08 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.0 0 CA-C-O 118.438 -0.791 . . . . 53.45 110.256 179.128 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 20.2 m . . . . . 0 N--CA 1.478 0.931 0 CA-C-O 121.269 0.556 . . . . 61.01 110.401 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 18.8 p-10 -109.1 148.89 38.87 Favored Pre-proline 0 C--N 1.323 -0.568 0 CA-C-N 115.752 -0.658 . . . . 71.44 110.114 -178.884 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 88.6 Cg_endo -80.43 -172.72 1.6 Allowed 'Trans proline' 0 N--CA 1.462 -0.33 0 C-N-CA 122.545 2.163 . . . . 50.45 112.257 -178.692 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -76.88 65.76 2.63 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.638 0.732 . . . . 74.13 109.799 174.881 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 57.6 tptt -85.09 -26.13 27.12 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 114.697 -1.138 . . . . 73.43 109.719 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 11.1 ptmm? -121.44 124.14 43.77 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.231 -0.895 . . . . 72.31 110.448 -176.642 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 26.4 ptm -138.35 154.17 48.96 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.125 -0.489 . . . . 65.21 110.214 179.741 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 51.3 t -126.14 -40.82 1.97 Allowed 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.3 -0.409 . . . . 75.31 110.542 -178.613 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 58.1 tttp -96.41 132.79 41.58 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.111 -0.495 . . . . 64.23 110.085 178.463 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -143.38 -176.6 5.01 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 116.263 -0.426 . . . . 73.2 110.059 -179.294 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.476 ' O ' ' HD3' ' A' ' 60' ' ' PRO . 36.8 mtm180 -122.74 128.34 50.39 Favored 'General case' 0 C--N 1.32 -0.713 0 N-CA-C 110.029 -0.36 . . . . 73.02 110.029 179.354 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 56.0 mt -114.08 87.67 13.44 Favored Pre-proline 0 C--N 1.323 -0.55 0 CA-C-N 116.251 -0.431 . . . . 65.53 110.265 178.402 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . 0.476 ' HD3' ' O ' ' A' ' 58' ' ' ARG . 1.9 Cg_endo -82.83 -49.56 0.04 OUTLIER 'Trans proline' 0 N--CA 1.458 -0.605 0 C-N-CA 123.005 2.47 . . . . 75.21 111.753 176.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . 0.468 ' HA ' ' HD3' ' A' ' 62' ' ' PRO . 16.4 mm100 -113.49 149.31 41.39 Favored Pre-proline 0 C--N 1.323 -0.552 0 CA-C-N 115.628 -0.714 . . . . 75.21 110.485 -178.916 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . 0.468 ' HD3' ' HA ' ' A' ' 61' ' ' GLN . 10.0 Cg_exo -72.6 52.5 2.06 Favored 'Trans proline' 0 CA--C 1.531 0.343 0 C-N-CA 123.364 2.71 . . . . 44.13 112.464 178.904 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.793 ' HA ' ' HE3' ' A' ' 63' ' ' LYS . 0.8 OUTLIER -79.38 -23.58 43.22 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.279 0.562 . . . . 60.25 110.02 177.985 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 17.8 p30 -92.3 150.85 20.61 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.81 0.814 . . . . 70.44 110.821 177.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.512 ' HA ' ' HG3' ' A' ' 68' ' ' MET . 23.2 p -66.48 -25.08 66.53 Favored 'General case' 0 C--N 1.312 -1.045 0 CA-C-N 114.697 -1.138 . . . . 60.15 111.14 -179.686 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.468 HG11 ' HD2' ' A' ' 114' ' ' ARG . 4.1 m -66.65 -32.16 56.79 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-N 116.04 -0.527 . . . . 62.24 110.696 -178.931 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -76.0 -33.44 59.7 Favored 'General case' 0 N--CA 1.449 -0.477 0 N-CA-C 109.882 -0.414 . . . . 42.52 109.882 177.557 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' MET . . . . . 0.512 ' HG3' ' HA ' ' A' ' 65' ' ' THR . 21.6 mtp -63.52 -35.29 80.0 Favored 'General case' 0 C--N 1.332 -0.177 0 N-CA-C 109.707 -0.479 . . . . 64.3 109.707 176.697 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.646 ' HB3' HD13 ' A' ' 76' ' ' LEU . 6.2 mt -63.94 -38.88 92.7 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.072 -0.513 . . . . 64.44 110.967 175.649 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 28.6 m-80 -68.73 -20.94 64.41 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-O 121.381 0.61 . . . . 74.21 110.417 -179.253 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 27.7 mm-40 -80.04 -26.58 39.69 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.393 -0.821 . . . . 74.41 110.392 175.527 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.413 ' HG ' ' O ' ' A' ' 68' ' ' MET . 86.1 mt -95.82 -68.51 0.8 Allowed 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.753 -0.658 . . . . 70.12 111.537 -175.135 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 31.0 mmm180 -133.61 137.47 45.45 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.215 -0.448 . . . . 64.33 110.94 -170.618 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 2.1 p-80 -88.21 174.54 8.15 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 110.042 -0.355 . . . . 63.11 110.042 175.446 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 79.52 32.66 37.16 Favored Glycine 0 N--CA 1.446 -0.693 0 C-N-CA 120.326 -0.94 . . . . 45.44 111.676 -178.432 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.814 ' H ' HD23 ' A' ' 76' ' ' LEU . 1.1 pt? -95.22 89.95 5.69 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.469 0.652 . . . . 55.42 110.344 179.842 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.476 ' O ' ' HA ' ' A' ' 96' ' ' VAL . 4.3 mp -92.48 105.94 17.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 116.066 -0.515 . . . . 53.45 110.839 -177.788 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . 0.446 ' CD1' ' HB ' ' A' ' 96' ' ' VAL . 92.1 m-85 -84.9 142.12 29.93 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 109.546 -0.539 . . . . 74.45 109.546 174.462 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 7.3 ptpp? -154.52 141.26 19.04 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 110.238 -0.282 . . . . 53.42 110.238 177.197 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.476 HD22 ' HE2' ' A' ' 110' ' ' LYS . 45.0 tp -80.15 99.39 7.75 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 109.243 -0.651 . . . . 75.11 109.243 175.88 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 2.6 pt-20 -87.79 -33.31 18.69 Favored 'General case' 0 C--N 1.323 -0.578 0 C-N-CA 120.701 -0.399 . . . . 73.14 111.12 -176.55 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . 0.511 ' HB2' ' HB ' ' A' ' 93' ' ' THR . 18.1 m -139.07 142.2 38.18 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.309 -0.405 . . . . 75.3 110.261 -177.08 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 22.3 tm0? -149.07 112.17 4.91 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 109.53 -0.544 . . . . 71.12 109.53 177.003 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 24.4 p -141.53 160.03 41.0 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.124 -0.489 . . . . 63.11 110.794 -177.509 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 124.35 -179.96 15.96 Favored Glycine 0 N--CA 1.45 -0.431 0 C-N-CA 120.607 -0.806 . . . . 75.31 112.473 173.901 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 56.9 Cg_endo -70.94 176.21 7.98 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.934 2.423 . . . . 74.4 111.669 178.099 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 7.3 p -90.77 -19.89 7.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-O 121.097 0.475 . . . . 74.12 110.827 -178.666 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 26.2 p-80 -80.28 -24.23 40.19 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.039 0.447 . . . . 74.41 109.996 177.88 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -155.72 75.14 5.09 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-N 116.068 -0.514 . . . . 65.52 110.648 178.32 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 0.9 OUTLIER -77.91 164.09 27.91 Favored 'Trans proline' 0 N--CA 1.453 -0.871 0 C-N-CA 122.219 1.946 . . . . 64.31 112.042 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.53 HD11 ' HB3' ' A' ' 106' ' ' GLN . 2.6 tm? -118.59 117.07 27.99 Favored 'General case' 0 C--N 1.315 -0.929 0 CA-C-N 116.012 -0.54 . . . . 72.23 109.759 179.679 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.488 ' O ' ' HA ' ' A' ' 106' ' ' GLN . 18.4 m-85 -102.77 134.95 45.32 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-N 115.468 -0.787 . . . . 74.42 109.275 178.431 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . 0.511 ' HB ' ' HB2' ' A' ' 82' ' ' SER . 27.7 m -118.47 107.52 13.9 Favored 'General case' 0 C--N 1.316 -0.864 0 CA-C-O 120.981 0.42 . . . . 72.1 110.631 -178.124 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 7.4 mm -100.54 127.2 53.85 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 CA-C-N 115.65 -0.704 . . . . 63.01 110.114 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . 0.532 ' HB2' ' HD3' ' A' ' 102' ' ' LYS . 15.5 p -107.17 119.44 39.39 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-O 120.977 0.418 . . . . 44.34 110.313 175.684 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.487 HG12 ' HB1' ' A' ' 117' ' ' ALA . 7.8 p -113.75 132.63 62.18 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 N-CA-C 109.667 -0.494 . . . . 71.42 109.667 176.714 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 16.2 tt0 -110.82 112.73 24.78 Favored 'General case' 0 C--N 1.316 -0.867 0 N-CA-C 109.857 -0.423 . . . . 72.44 109.857 -176.828 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . 0.414 ' HB ' ' HE2' ' A' ' 103' ' ' TYR . 40.3 t -125.8 123.29 64.0 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.67 0 CA-C-N 115.771 -0.649 . . . . 72.31 110.535 -175.711 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 57.18 27.79 14.07 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.029 -0.987 . . . . 74.23 111.731 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 93.46 -14.67 64.75 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.789 -0.719 . . . . 72.52 112.556 179.779 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 2.2 mm100 -94.14 121.1 35.28 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.801 0.334 . . . . 72.5 110.162 179.227 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . 0.539 ' NZ ' ' HB3' ' A' ' 102' ' ' LYS . 0.0 OUTLIER -91.19 115.7 28.23 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-N 116.401 -0.363 . . . . 74.11 110.042 178.707 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' TYR . . . . . 0.414 ' HE2' ' HB ' ' A' ' 98' ' ' VAL . 60.1 m-85 -101.08 138.29 38.31 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 115.598 -0.728 . . . . 71.23 109.524 178.678 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 12.6 tp -109.95 141.35 42.83 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 116.563 -0.29 . . . . 74.34 110.505 -176.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -136.62 137.57 9.16 Favored Glycine 0 N--CA 1.45 -0.381 0 N-CA-C 111.404 -0.679 . . . . 73.42 111.404 177.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . 0.53 ' HB3' HD11 ' A' ' 91' ' ' LEU . 15.9 mt-30 -124.9 126.05 44.91 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.829 0.314 . . . . 74.25 110.688 -176.245 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -146.87 -175.41 19.78 Favored Glycine 0 C--O 1.225 -0.416 0 C-N-CA 120.726 -0.749 . . . . 22.51 112.466 -177.559 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 26.0 mmt180 -84.2 -3.05 57.91 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-O 120.908 0.385 . . . . 74.34 111.884 -178.644 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 66.8 m -159.64 166.94 29.62 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 108.749 -0.834 . . . . 72.25 108.749 179.025 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . 0.476 ' HE2' HD22 ' A' ' 80' ' ' LEU . 96.3 mttt -55.0 -39.64 69.29 Favored 'General case' 0 C--N 1.332 -0.184 0 O-C-N 123.483 0.49 . . . . 72.2 110.206 177.102 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 78.3 tttt -60.32 -53.51 56.76 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.312 -0.858 . . . . 52.14 111.273 -179.582 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . 0.502 ' O ' ' HG2' ' A' ' 116' ' ' GLU . 35.0 t -60.22 -49.47 84.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 115.963 -0.562 . . . . 71.52 110.307 -178.829 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -62.64 -35.54 79.93 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.026 -0.534 . . . . 63.31 111.483 -177.887 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' ARG . . . . . 0.468 ' HD2' HG11 ' A' ' 66' ' ' VAL . 26.2 ttm180 -60.87 -47.94 84.06 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.122 -0.49 . . . . 73.05 109.908 176.783 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 64.5 mt -61.67 -47.66 92.28 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.349 0 CA-C-N 115.671 -0.695 . . . . 60.31 111.19 176.768 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . 0.502 ' HG2' ' O ' ' A' ' 112' ' ' VAL . 15.9 mm-40 -57.28 -43.46 83.12 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 121.012 0.434 . . . . 70.53 111.05 178.7 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . 0.487 ' HB1' HG12 ' A' ' 96' ' ' VAL . . . -61.8 -45.04 95.59 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-N 116.159 -0.473 . . . . 63.1 110.801 178.697 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . 0.492 ' O ' ' HG ' ' A' ' 122' ' ' LEU . . . -67.58 -30.6 70.26 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.958 -0.565 . . . . 70.55 111.168 -179.669 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -62.57 -41.44 98.93 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.078 0.465 . . . . 61.35 110.201 177.275 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 37.5 m -66.66 -35.03 79.18 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.664 -0.698 . . . . 73.13 110.533 176.779 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -64.33 -47.6 78.78 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.198 -0.455 . . . . 73.24 110.58 176.888 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . 0.492 ' HG ' ' O ' ' A' ' 118' ' ' ALA . 60.0 mt -57.76 -50.0 74.7 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.162 -0.472 . . . . 61.43 111.188 -179.58 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 123' ' ' ARG . . . . . 0.465 ' HA ' ' O ' ' A' ' 126' ' ' ILE . 16.6 ptm180 -67.21 -14.21 62.69 Favored 'General case' 0 N--CA 1.466 0.35 0 CA-C-N 116.262 -0.426 . . . . 73.25 111.327 -176.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 32.5 t -79.05 -31.9 44.68 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.171 -0.468 . . . . 54.14 110.14 176.103 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 59.5 m-85 -86.16 -49.19 7.93 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.078 -0.51 . . . . 74.12 110.212 -179.34 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 126' ' ' ILE . . . . . 0.465 ' O ' ' HA ' ' A' ' 123' ' ' ARG . 0.2 OUTLIER -135.27 146.04 30.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 115.853 -0.612 . . . . 74.15 109.922 179.883 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -109.66 129.54 55.59 Favored 'General case' 0 C--N 1.32 -0.69 0 N-CA-C 109.88 -0.415 . . . . 71.33 109.88 -177.493 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 128' ' ' PHE . . . . . 0.457 ' HE1' HG13 ' A' ' 126' ' ' ILE . 27.4 m-85 -129.01 177.71 6.92 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.415 0.626 . . . . 75.02 111.47 -178.847 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 62.5 tttp -126.93 112.72 15.61 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.429 -0.805 . . . . 65.4 109.566 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -105.64 -36.74 6.99 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.158 0.504 . . . . 72.02 110.399 -178.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 101.93 -31.7 8.39 Favored Glycine 0 N--CA 1.447 -0.584 0 N-CA-C 111.175 -0.77 . . . . 62.12 111.175 -176.008 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -64.57 130.91 45.44 Favored 'General case' 0 N--CA 1.45 -0.473 0 CA-C-N 115.339 -0.431 . . . . 70.43 110.613 177.335 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 46.8 t -84.16 118.25 31.13 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.662 0 CA-C-N 116.252 -0.431 . . . . 74.21 110.218 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 49.2 tp -107.0 94.4 5.08 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.188 0.518 . . . . 65.31 110.236 -179.785 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 31.8 p -153.68 159.05 32.54 Favored Pre-proline 0 C--N 1.322 -0.594 0 CA-C-N 115.546 -0.752 . . . . 54.4 109.446 -179.569 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 136' ' ' PRO . . . . . . . . . . . . . 58.4 Cg_endo -72.53 70.35 3.34 Favored 'Trans proline' 0 C--N 1.344 0.326 0 C-N-CA 122.381 2.054 . . . . 62.33 112.602 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 78.8 mt -72.44 -41.27 66.35 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 109.426 -0.583 . . . . 74.05 109.426 176.46 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 29.0 mtpp -108.84 107.08 59.79 Favored Pre-proline 0 C--N 1.325 -0.473 0 CA-C-N 115.36 -0.836 . . . . 74.13 109.819 173.77 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 1.3 Cg_endo -82.86 -158.37 0.09 OUTLIER 'Trans proline' 0 N--CA 1.456 -0.712 0 C-N-CA 123.109 2.539 . . . . 63.52 111.352 178.254 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 140' ' ' ALA . . . . . 0.513 ' HB2' ' HB2' ' A' ' 91' ' ' LEU . . . . . . . . 0 C--O 1.246 0.906 0 CA-C-O 118.913 -0.565 . . . . 71.33 109.875 176.26 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 19.8 m . . . . . 0 N--CA 1.478 0.967 0 CA-C-O 120.85 0.357 . . . . 72.44 110.071 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 7.7 p-10 -127.37 117.58 21.55 Favored Pre-proline 0 C--N 1.325 -0.483 0 CA-C-O 121.097 0.475 . . . . 73.24 111.173 -178.539 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 8.0 Cg_exo -72.83 96.57 0.85 Allowed 'Trans proline' 0 N--CA 1.46 -0.481 0 C-N-CA 123.074 2.516 . . . . 70.44 111.044 174.11 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.54 ' HB3' ' NZ ' ' A' ' 51' ' ' LYS . 6.2 ttpm? -126.0 106.88 9.93 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.646 -0.706 . . . . 52.32 110.33 -172.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 37.5 mtmt -88.13 48.72 1.68 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.169 -0.469 . . . . 63.13 111.64 -176.194 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.421 ' HE2' ' HB2' ' A' ' 53' ' ' LYS . 21.0 ttmm -78.82 106.01 10.53 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 108.773 -0.825 . . . . 54.45 108.773 175.536 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 64.2 mtt -67.08 111.82 4.07 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.245 -0.889 . . . . 64.14 111.867 -169.402 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 21.2 p -110.4 146.32 36.04 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.476 -0.784 . . . . 54.03 109.784 174.643 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.411 ' HB2' ' HE3' ' A' ' 56' ' ' LYS . 35.1 ttmt -76.9 121.16 23.03 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 108.352 -0.981 . . . . 73.53 108.352 174.372 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.759 ' HB3' HG12 ' A' ' 59' ' ' ILE . 71.4 mm-40 -48.28 -65.69 0.53 Allowed 'General case' 0 C--O 1.235 0.3 0 O-C-N 123.784 0.677 . . . . 53.52 112.134 -170.924 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 5.4 tpt180 61.11 26.49 16.4 Favored 'General case' 0 C--O 1.234 0.259 0 O-C-N 123.458 0.474 . . . . 72.22 110.232 178.116 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.759 HG12 ' HB3' ' A' ' 57' ' ' GLU . 49.2 mm -62.76 127.87 91.04 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 115.364 -0.835 . . . . 74.34 111.843 -173.583 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 39.7 Cg_endo -68.08 137.06 39.74 Favored 'Trans proline' 0 C--O 1.236 0.424 0 C-N-CA 122.649 2.232 . . . . 75.31 111.726 174.912 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 4.2 mp0 65.76 98.09 0.04 OUTLIER Pre-proline 0 C--O 1.236 0.361 0 O-C-N 123.647 0.592 . . . . 63.32 111.086 -178.672 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 7.0 Cg_exo -74.73 -142.27 0.02 OUTLIER 'Trans proline' 0 C--N 1.345 0.369 0 C-N-CA 123.786 2.991 . . . . 71.44 112.397 -178.737 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 38.2 mtpt 68.86 30.5 4.67 Favored 'General case' 0 N--CA 1.467 0.385 0 CA-C-O 121.263 0.554 . . . . 75.5 110.334 178.199 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . 0.426 ' ND2' ' HB ' ' A' ' 66' ' ' VAL . 17.9 p-10 -102.84 142.06 34.6 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 122.185 0.993 . . . . 70.33 112.394 -174.898 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 40.0 p -63.23 -21.75 66.42 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 114.099 -1.41 . . . . 71.12 111.137 178.917 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.426 ' HB ' ' ND2' ' A' ' 64' ' ' ASN . 60.9 t -59.73 -44.17 93.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 115.42 -0.809 . . . . 42.42 110.812 177.412 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.403 ' O ' ' HG3' ' A' ' 71' ' ' GLU . . . -65.54 -40.43 92.89 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.194 0.521 . . . . 72.02 109.864 177.821 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' MET . . . . . 0.442 ' HB2' HD11 ' A' ' 122' ' ' LEU . 76.1 mmm -56.78 -47.32 80.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.295 -0.866 . . . . 64.4 110.761 176.32 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.52 ' HB3' HD13 ' A' ' 76' ' ' LEU . 0.7 OUTLIER -59.39 -37.42 77.93 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.764 -0.653 . . . . 74.23 111.778 -179.421 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 15.0 m-80 -67.5 -21.58 65.49 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.941 0.4 . . . . 73.32 110.893 -178.688 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.403 ' HG3' ' O ' ' A' ' 67' ' ' ALA . 61.9 mt-10 -79.91 -32.68 40.19 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.095 -0.502 . . . . 73.52 110.566 175.453 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 79.8 mt -85.72 -67.36 0.81 Allowed 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.137 -0.483 . . . . 71.12 112.071 -174.347 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . 0.401 HH11 ' HD3' ' A' ' 73' ' ' ARG . 6.8 tpp180 -136.59 108.88 7.29 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.339 -0.392 . . . . 60.15 110.348 -175.112 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . 0.521 ' HA ' HD22 ' A' ' 76' ' ' LEU . 2.8 p-80 -81.92 170.68 15.34 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.973 -0.558 . . . . 74.45 109.759 176.196 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 90.72 23.75 29.83 Favored Glycine 0 N--CA 1.443 -0.891 0 N-CA-C 109.956 -1.258 . . . . 64.4 109.956 -169.232 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.906 ' H ' HD23 ' A' ' 76' ' ' LEU . 1.8 pt? -96.88 107.98 20.59 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 114.604 -0.798 . . . . 74.12 110.283 -178.368 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 4.7 mp -103.36 110.18 29.09 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.744 0 CA-C-N 116.144 -0.48 . . . . 73.04 110.503 -179.133 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . 0.461 ' CD2' ' HB ' ' A' ' 96' ' ' VAL . 93.8 m-85 -85.0 124.77 32.08 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.24 -0.436 . . . . 71.13 109.836 176.237 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . 0.405 ' HG2' ' O ' ' A' ' 95' ' ' SER . 13.7 ptpt -131.98 131.5 42.63 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 120.917 0.389 . . . . 71.1 110.328 -178.438 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 50.1 tp -79.43 101.02 7.94 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 109.027 -0.731 . . . . 64.4 109.027 176.492 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -89.24 -31.4 17.91 Favored 'General case' 0 C--N 1.322 -0.629 0 C-N-CA 120.755 -0.378 . . . . 74.31 111.799 -173.799 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 32.5 m -145.84 130.96 18.36 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 120.852 0.358 . . . . 65.13 110.865 -176.423 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 21.6 tm0? -132.99 108.69 9.05 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 109.531 -0.544 . . . . 74.33 109.531 174.287 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 18.7 p -142.92 141.53 31.5 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.068 -0.514 . . . . 62.1 110.595 -178.079 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 139.63 160.93 8.52 Favored Glycine 0 N--CA 1.445 -0.714 0 C-N-CA 120.824 -0.703 . . . . 71.11 111.919 177.36 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 33.1 Cg_endo -64.78 170.26 10.32 Favored 'Trans proline' 0 C--O 1.225 -0.143 0 C-N-CA 123.136 2.557 . . . . 73.1 112.22 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 12.6 p -71.41 -25.93 25.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-O 120.765 0.316 . . . . 72.24 111.156 -178.615 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 34.0 p-80 -83.02 -26.2 31.43 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 120.734 0.302 . . . . 74.21 110.833 -178.882 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -148.69 72.79 10.6 Favored Pre-proline 0 C--N 1.326 -0.44 0 CA-C-O 120.837 0.351 . . . . 73.05 110.963 179.302 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . 0.482 ' O ' ' HA ' ' A' ' 108' ' ' ARG . 66.2 Cg_endo -82.59 144.93 12.85 Favored 'Trans proline' 0 N--CA 1.456 -0.73 0 C-N-CA 122.333 2.022 . . . . 74.13 112.177 178.531 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -107.48 118.15 35.97 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.86 -0.609 . . . . 64.34 109.551 179.767 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.429 ' O ' ' HA ' ' A' ' 106' ' ' GLN . 46.0 m-85 -103.89 133.21 49.25 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 115.361 -0.836 . . . . 72.11 109.277 178.411 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . 0.42 HG22 HD11 ' A' ' 104' ' ' LEU . 18.4 m -119.02 105.21 11.21 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-O 120.904 0.383 . . . . 53.32 110.639 -177.853 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 5.9 mm -104.21 125.23 58.99 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.666 0 CA-C-N 115.716 -0.675 . . . . 54.13 109.585 178.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . 0.483 ' HB2' ' HD3' ' A' ' 102' ' ' LYS . 0.3 OUTLIER -105.12 128.7 53.49 Favored 'General case' 0 C--N 1.314 -0.954 0 N-CA-C 109.955 -0.387 . . . . 72.3 109.955 174.539 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.561 HG12 ' HB1' ' A' ' 117' ' ' ALA . 11.8 p -116.29 128.23 73.67 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.844 0 CA-C-O 121.416 0.627 . . . . 63.51 110.004 177.462 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 18.5 tt0 -100.36 112.28 24.61 Favored 'General case' 0 C--N 1.313 -1.015 0 CA-C-N 115.642 -0.708 . . . . 63.43 109.277 179.488 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . 0.414 ' C ' ' H ' ' A' ' 100' ' ' GLY . 15.3 t -124.37 123.43 66.31 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.772 0 CA-C-N 115.537 -0.756 . . . . 53.24 110.041 -174.193 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 18.2 t70 66.73 -9.79 0.33 Allowed 'General case' 0 N--CA 1.474 0.771 0 CA-C-O 121.345 0.593 . . . . 74.42 111.918 -178.389 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . 0.414 ' H ' ' C ' ' A' ' 98' ' ' VAL . . . 118.22 -2.3 16.52 Favored Glycine 0 C--N 1.317 -0.504 0 N-CA-C 111.427 -0.669 . . . . 52.35 111.427 -173.73 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' GLN . . . . . 0.489 ' HB3' ' CE2' ' A' ' 103' ' ' TYR . 4.4 tp60 -99.48 135.6 40.65 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 108.829 -0.804 . . . . 64.53 108.829 175.277 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . 0.483 ' HD3' ' HB2' ' A' ' 95' ' ' SER . 0.0 OUTLIER -102.63 113.92 27.7 Favored 'General case' 0 C--N 1.315 -0.893 0 CA-C-O 121.199 0.523 . . . . 75.43 110.289 -177.404 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' TYR . . . . . 0.489 ' CE2' ' HB3' ' A' ' 101' ' ' GLN . 63.4 m-85 -104.94 139.32 39.83 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.573 -0.739 . . . . 74.22 109.977 178.786 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.42 HD11 HG22 ' A' ' 93' ' ' THR . 13.3 tp -108.1 143.03 37.39 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.824 0.345 . . . . 71.32 110.869 -176.313 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -132.52 128.35 5.16 Favored Glycine 0 N--CA 1.447 -0.615 0 N-CA-C 111.375 -0.69 . . . . 20.02 111.375 176.785 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . 0.429 ' HA ' ' O ' ' A' ' 92' ' ' PHE . 24.5 mt-30 -124.14 113.36 18.24 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 121.122 0.487 . . . . 65.1 110.666 -176.093 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -135.47 -177.3 14.87 Favored Glycine 0 N--CA 1.45 -0.422 0 CA-C-N 115.784 -0.644 . . . . 55.01 112.013 -177.148 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . 0.482 ' HA ' ' O ' ' A' ' 90' ' ' PRO . 11.5 mmt85 -92.38 6.71 45.92 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.469 0.652 . . . . 75.5 110.743 -176.806 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . 0.499 ' HB2' HG23 ' A' ' 112' ' ' VAL . 15.9 m -156.44 162.29 40.01 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 108.671 -0.863 . . . . 64.14 108.671 178.829 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -61.98 -37.58 85.31 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.13 0.49 . . . . 70.3 110.458 -179.407 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 79.9 tttt -66.67 -49.93 64.53 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.621 -0.718 . . . . 74.41 110.446 179.552 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . 0.499 HG23 ' HB2' ' A' ' 109' ' ' SER . 46.7 t -54.87 -51.34 53.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 115.817 -0.629 . . . . 71.21 110.629 177.497 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -59.29 -41.48 89.08 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.873 -0.603 . . . . 71.43 111.337 -178.215 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 11.2 ttm180 -61.57 -42.89 99.51 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.154 -0.475 . . . . 72.33 110.47 178.222 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 65.2 mt -66.91 -44.34 88.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-N 115.819 -0.628 . . . . 74.14 111.563 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . 0.406 ' HG2' ' O ' ' A' ' 112' ' ' VAL . 7.3 mm-40 -60.21 -37.35 80.01 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.79 0.328 . . . . 75.03 111.16 178.136 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . 0.561 ' HB1' HG12 ' A' ' 96' ' ' VAL . . . -64.53 -43.19 94.8 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.174 0.512 . . . . 65.31 110.367 177.422 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . 0.482 ' O ' ' HG ' ' A' ' 122' ' ' LEU . . . -69.67 -35.55 75.25 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.759 -0.655 . . . . 73.52 111.343 -179.693 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -61.62 -40.83 96.25 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.115 0.483 . . . . 74.12 110.477 179.562 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 120' ' ' THR . . . . . 0.446 ' O ' ' HG2' ' A' ' 123' ' ' ARG . 32.0 m -63.86 -38.64 91.86 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.548 -0.751 . . . . 73.54 110.686 177.448 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -65.68 -47.92 73.81 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.244 -0.435 . . . . 54.12 110.932 177.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . 0.482 ' HG ' ' O ' ' A' ' 118' ' ' ALA . 61.7 mt -55.18 -49.89 70.75 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.299 -0.409 . . . . 73.33 111.196 -179.226 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 123' ' ' ARG . . . . . 0.446 ' HG2' ' O ' ' A' ' 120' ' ' THR . 25.1 ptt180 -66.92 -19.11 65.67 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.134 -0.484 . . . . 74.42 110.977 -176.016 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 74.1 m -80.67 -25.09 38.46 Favored 'General case' 0 N--CA 1.438 -1.026 0 CA-C-N 116.062 -0.517 . . . . 71.44 111.032 178.031 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 18.6 m-85 -87.49 -51.17 6.07 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 109.534 -0.543 . . . . 74.34 109.534 177.508 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 126' ' ' ILE . . . . . 0.468 HD13 ' H ' ' A' ' 126' ' ' ILE . 0.2 OUTLIER -134.63 134.68 54.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.039 -0.528 . . . . 52.23 109.745 176.349 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 127' ' ' GLN . . . . . 0.439 ' CD ' ' H ' ' A' ' 127' ' ' GLN . 3.9 pm0 -106.77 117.94 35.37 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-O 121.599 0.714 . . . . 65.12 110.824 -176.796 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 5.5 m-85 -109.82 14.44 23.21 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 121.672 0.748 . . . . 75.11 109.024 173.352 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 14.1 mmmt -150.07 158.06 43.77 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 114.574 -1.194 . . . . 61.35 109.776 -179.1 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -49.3 -39.27 30.49 Favored 'General case' 0 C--N 1.327 -0.371 0 O-C-N 123.763 0.664 . . . . 70.51 111.729 173.394 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 85.79 20.27 56.28 Favored Glycine 0 N--CA 1.443 -0.87 0 N-CA-C 111.201 -0.76 . . . . 62.14 111.201 -179.04 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -87.83 119.6 28.33 Favored 'General case' 0 N--CA 1.448 -0.543 0 CA-C-O 121.42 0.629 . . . . 73.34 110.649 -179.804 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 48.9 t -127.22 140.19 49.8 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.813 0 CA-C-N 115.371 -0.831 . . . . 61.45 109.529 -177.209 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 45.0 tp -80.58 90.46 5.73 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 121.221 0.534 . . . . 72.32 110.178 178.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 135' ' ' SER . . . . . 0.433 ' HA ' ' HD3' ' A' ' 136' ' ' PRO . 45.1 m -62.77 140.07 97.19 Favored Pre-proline 0 C--N 1.317 -0.812 0 CA-C-N 115.491 -0.777 . . . . 72.45 109.877 174.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 136' ' ' PRO . . . . . 0.433 ' HD3' ' HA ' ' A' ' 135' ' ' SER . 19.9 Cg_exo -65.49 97.72 0.32 Allowed 'Trans proline' 0 N--CA 1.463 -0.323 0 C-N-CA 122.433 2.089 . . . . 75.1 111.897 179.535 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 137' ' ' LEU . . . . . 0.535 ' O ' ' HD3' ' A' ' 139' ' ' PRO . 76.9 mt -84.75 99.05 10.6 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 109.308 -0.627 . . . . 71.22 109.308 179.263 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 23.6 tptm -112.57 92.45 19.89 Favored Pre-proline 0 C--N 1.323 -0.546 0 CA-C-N 116.257 -0.429 . . . . 73.5 111.129 -172.683 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 139' ' ' PRO . . . . . 0.535 ' HD3' ' O ' ' A' ' 137' ' ' LEU . 96.7 Cg_endo -98.19 -167.37 0.1 OUTLIER 'Trans proline' 0 N--CA 1.448 -1.169 0 C-N-CA 123.422 2.748 . . . . 71.33 111.587 175.599 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.052 0 CA-C-O 118.965 -0.541 . . . . 71.33 110.118 177.345 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 22.0 t . . . . . 0 N--CA 1.478 0.963 0 CA-C-O 120.842 0.353 . . . . 54.1 110.424 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 25.8 t0 -85.64 105.9 8.15 Favored Pre-proline 0 CA--C 1.532 0.276 0 N-CA-C 109.353 -0.61 . . . . 70.12 109.353 -179.77 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 69.6 Cg_endo -88.47 30.13 0.44 Allowed 'Trans proline' 0 CA--C 1.531 0.334 0 C-N-CA 123.322 2.681 . . . . 75.31 114.741 -166.81 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 11.9 mtpt -81.13 81.36 7.36 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.271 0.558 . . . . 72.34 109.555 172.644 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 19.1 ptmt -86.01 92.15 8.61 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.735 0.779 . . . . 74.31 111.876 -173.61 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 3.5 ptmm? -104.72 99.3 8.96 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.532 -0.758 . . . . 74.21 109.74 173.746 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 26.2 ptt? -72.14 -24.93 61.53 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.992 -0.549 . . . . 73.41 111.329 -176.047 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 48.0 t -147.39 154.82 41.34 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.846 0.355 . . . . 64.34 110.916 -177.238 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 26.3 tttm -95.42 -66.13 0.93 Allowed 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.665 -0.698 . . . . 74.31 109.344 178.864 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -139.02 144.16 38.75 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 109.625 -0.509 . . . . 53.31 109.625 168.874 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.537 ' HG2' HG13 ' A' ' 59' ' ' ILE . 0.0 OUTLIER -138.08 -31.42 0.77 Allowed 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.221 -0.445 . . . . 75.33 110.929 -176.809 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.537 HG13 ' HG2' ' A' ' 58' ' ' ARG . 69.7 mt -104.76 128.01 27.69 Favored Pre-proline 0 C--N 1.325 -0.463 0 N-CA-C 109.732 -0.47 . . . . 75.2 109.732 178.439 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 20.1 Cg_endo -59.87 178.14 0.41 Allowed 'Trans proline' 0 C--N 1.347 0.454 0 C-N-CA 123.461 2.774 . . . . 75.1 112.551 179.018 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . 0.772 ' HG2' HD13 ' A' ' 115' ' ' ILE . 31.7 tp60 -145.56 112.81 4.66 Favored Pre-proline 0 C--N 1.326 -0.445 0 CA-C-O 120.677 0.275 . . . . 75.25 111.509 -176.579 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . 0.458 ' HD2' ' HA ' ' A' ' 61' ' ' GLN . 18.2 Cg_endo -61.62 148.17 93.66 Favored 'Trans proline' 0 C--O 1.234 0.286 0 C-N-CA 122.43 2.087 . . . . 50.43 111.243 169.829 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.405 ' HE3' ' HB2' ' A' ' 63' ' ' LYS . 20.4 ptmt 43.88 51.07 6.94 Favored 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 124.04 0.936 . . . . 74.02 112.194 -176.821 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 50.1 t-20 -57.73 117.8 4.62 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.44 -0.8 . . . . 60.41 110.435 177.563 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 43.1 p -71.41 -27.98 63.68 Favored 'General case' 0 C--N 1.315 -0.893 0 CA-C-N 115.436 -0.802 . . . . 74.43 111.449 -178.282 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 58.2 t -64.96 -42.11 93.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-O 121.39 0.614 . . . . 73.21 109.578 177.396 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.58 ' O ' ' HG3' ' A' ' 71' ' ' GLU . . . -63.17 -40.03 96.35 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.224 -0.898 . . . . 42.25 109.88 176.193 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 58.4 mmm -60.46 -46.08 91.36 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.591 -0.731 . . . . 72.44 110.786 177.468 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.584 ' HB3' HD13 ' A' ' 76' ' ' LEU . 0.9 OUTLIER -60.62 -38.03 83.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.073 -0.512 . . . . 74.02 111.491 -178.054 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 25.0 m-80 -65.5 -28.21 69.03 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.068 0.461 . . . . 55.31 110.445 179.862 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.58 ' HG3' ' O ' ' A' ' 67' ' ' ALA . 30.3 mt-10 -77.33 -41.46 40.41 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.858 -0.61 . . . . 75.22 110.336 177.881 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 75.8 mt -68.13 -59.49 3.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.923 -0.58 . . . . 72.43 111.573 -178.49 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 24.6 mmm180 -131.1 170.77 14.08 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.149 0.5 . . . . 74.24 111.409 -174.178 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 7.6 p-80 -122.76 155.02 37.37 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.612 -0.722 . . . . 72.43 109.167 173.55 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 92.72 36.91 5.94 Favored Glycine 0 N--CA 1.444 -0.781 0 C-N-CA 120.199 -1.0 . . . . 64.53 111.094 -177.331 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.676 ' H ' HD23 ' A' ' 76' ' ' LEU . 1.1 pt? -106.71 106.17 16.56 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.341 0.591 . . . . 63.3 110.088 179.36 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.489 ' O ' ' HA ' ' A' ' 96' ' ' VAL . 4.8 mp -105.78 115.82 48.3 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 CA-C-N 115.788 -0.642 . . . . 72.24 110.402 -178.011 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . 0.505 ' CE1' HD12 ' A' ' 76' ' ' LEU . 87.4 m-85 -95.56 125.34 40.09 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.396 -0.366 . . . . 75.13 110.15 178.697 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 17.2 ptpt -136.85 144.22 43.48 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 120.719 0.295 . . . . 72.31 110.308 179.463 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.495 HD22 ' HE2' ' A' ' 110' ' ' LYS . 33.8 tp -82.76 111.46 18.71 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 109.348 -0.612 . . . . 71.42 109.348 177.572 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -94.8 -24.33 17.11 Favored 'General case' 0 C--N 1.323 -0.55 0 C-N-CA 120.273 -0.571 . . . . 73.31 111.48 -179.348 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 69.5 m -154.99 145.68 22.36 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.919 0.39 . . . . 73.41 111.526 -178.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . 0.402 HE21 ' HB2' ' A' ' 90' ' ' PRO . 22.7 tm0? -142.41 115.27 8.7 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 108.809 -0.811 . . . . 54.32 108.809 174.577 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 20.8 p -148.1 140.67 24.5 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.244 -0.435 . . . . 65.23 110.855 -174.829 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 144.03 -178.98 21.7 Favored Glycine 0 N--CA 1.449 -0.481 0 C-N-CA 120.156 -1.021 . . . . 62.14 112.663 174.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 55.8 Cg_endo -69.67 167.12 25.23 Favored 'Trans proline' 0 C--O 1.223 -0.261 0 C-N-CA 122.944 2.43 . . . . 63.35 111.656 178.636 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 10.1 p -78.45 -25.15 13.67 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 C-N-CA 120.84 -0.344 . . . . 75.41 111.022 -178.489 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 33.3 p-80 -79.33 -25.9 42.25 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-O 120.847 0.356 . . . . 75.23 110.85 -178.884 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -151.74 69.04 7.77 Favored Pre-proline 0 C--N 1.327 -0.384 0 CA-C-N 116.314 -0.403 . . . . 70.4 110.671 178.436 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . 0.615 ' O ' ' HA ' ' A' ' 108' ' ' ARG . 46.4 Cg_endo -71.6 143.99 43.58 Favored 'Trans proline' 0 N--CA 1.461 -0.406 0 C-N-CA 122.356 2.038 . . . . 54.44 111.769 -178.368 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.401 HD11 ' HB3' ' A' ' 106' ' ' GLN . 21.3 tp -100.82 130.73 46.88 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 121.388 0.613 . . . . 72.33 110.458 179.647 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.58 ' O ' ' HA ' ' A' ' 106' ' ' GLN . 11.5 m-85 -111.77 141.19 45.71 Favored 'General case' 0 C--N 1.313 -0.997 0 CA-C-N 115.107 -0.951 . . . . 74.11 109.009 179.718 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 12.9 m -122.77 101.6 7.55 Favored 'General case' 0 C--N 1.316 -0.853 0 CA-C-O 121.246 0.546 . . . . 62.43 110.202 -177.634 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 6.5 mm -98.75 129.66 48.77 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.713 0 CA-C-N 115.284 -0.871 . . . . 64.23 109.743 -179.034 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . 0.587 ' HB2' ' HD3' ' A' ' 102' ' ' LYS . 3.2 p -107.59 126.03 52.05 Favored 'General case' 0 C--N 1.311 -1.078 0 CA-C-N 115.662 -0.699 . . . . 73.53 109.733 176.629 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.512 HG12 ' HB1' ' A' ' 117' ' ' ALA . 8.8 p -123.24 129.5 74.86 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.944 0 CA-C-O 121.116 0.484 . . . . 61.21 110.287 177.415 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 24.7 tt0 -102.39 113.76 27.36 Favored 'General case' 0 C--N 1.314 -0.971 0 N-CA-C 109.094 -0.706 . . . . 73.2 109.094 176.125 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 24.7 t -120.91 120.67 63.02 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.81 0 CA-C-N 115.539 -0.755 . . . . 73.05 110.034 -176.819 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 28.7 t70 66.14 0.44 1.65 Allowed 'General case' 0 N--CA 1.467 0.415 0 O-C-N 123.745 0.653 . . . . 74.15 111.892 176.126 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 117.58 -0.13 18.15 Favored Glycine 0 N--CA 1.448 -0.501 0 C-N-CA 121.0 -0.619 . . . . 72.43 112.081 -177.527 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' GLN . . . . . 0.433 ' HA ' ' NE2' ' A' ' 101' ' ' GLN . 13.4 mm-40 -110.25 131.45 55.05 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.796 0.331 . . . . 75.43 110.993 176.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . 0.587 ' HD3' ' HB2' ' A' ' 95' ' ' SER . 0.2 OUTLIER -100.39 106.35 17.94 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.198 0.523 . . . . 62.13 110.408 -177.178 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 47.7 m-85 -95.21 153.25 17.75 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.655 -0.702 . . . . 74.15 109.592 179.663 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 13.3 tp -119.85 136.57 54.43 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 120.797 0.332 . . . . 64.34 110.625 -178.83 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -131.92 134.74 7.79 Favored Glycine 0 N--CA 1.448 -0.562 0 C-N-CA 121.027 -0.606 . . . . 72.14 111.742 179.809 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . 0.58 ' HA ' ' O ' ' A' ' 92' ' ' PHE . 31.4 mt-30 -128.77 123.89 34.09 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 120.819 0.342 . . . . 73.4 110.754 -176.659 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -147.32 178.75 24.73 Favored Glycine 0 N--CA 1.449 -0.469 0 N-CA-C 111.447 -0.661 . . . . 74.14 111.447 -179.451 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . 0.615 ' HA ' ' O ' ' A' ' 90' ' ' PRO . 27.9 mmt180 -81.91 8.12 11.23 Favored 'General case' 0 N--CA 1.466 0.374 0 CA-C-N 117.205 0.502 . . . . 63.21 112.029 -176.269 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 58.1 m -165.04 164.0 20.55 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 109.181 -0.674 . . . . 60.21 109.181 178.869 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . 0.495 ' HE2' HD22 ' A' ' 80' ' ' LEU . 84.0 mttt -57.75 -34.51 69.62 Favored 'General case' 0 C--N 1.333 -0.148 0 O-C-N 123.194 0.309 . . . . 71.24 110.299 177.396 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . 0.629 ' HE3' ' HB2' ' A' ' 61' ' ' GLN . 60.3 tttt -56.22 -60.06 4.04 Favored 'General case' 0 N--CA 1.454 -0.265 0 CA-C-N 115.884 -0.598 . . . . 61.43 110.572 176.613 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . 0.424 ' O ' ' HG2' ' A' ' 116' ' ' GLU . 23.7 t -64.55 -44.52 96.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 115.326 -0.852 . . . . 71.23 110.895 -175.682 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -59.21 -41.16 87.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.371 -0.377 . . . . 62.41 111.012 -178.793 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 17.7 ttm180 -64.45 -43.42 94.31 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.049 -0.523 . . . . 73.22 110.033 177.473 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 115' ' ' ILE . . . . . 0.772 HD13 ' HG2' ' A' ' 61' ' ' GLN . 75.0 mt -62.85 -48.63 87.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 115.485 -0.78 . . . . 72.14 111.458 178.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . 0.424 ' HG2' ' O ' ' A' ' 112' ' ' VAL . 8.8 mm-40 -57.72 -41.31 81.51 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.746 0.308 . . . . 74.43 111.127 179.553 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . 0.512 ' HB1' HG12 ' A' ' 96' ' ' VAL . . . -62.21 -45.47 93.2 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.135 0.493 . . . . 64.14 110.52 178.362 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . 0.586 ' O ' ' HG ' ' A' ' 122' ' ' LEU . . . -67.08 -36.52 82.18 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.537 -0.756 . . . . 71.11 111.287 179.834 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -61.4 -41.49 97.22 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.074 0.464 . . . . 51.42 110.595 179.676 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 80.4 m -64.55 -40.36 95.44 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.696 -0.684 . . . . 72.03 110.584 177.373 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -61.35 -45.52 94.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.822 -0.626 . . . . 73.14 110.759 178.498 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . 0.586 ' HG ' ' O ' ' A' ' 118' ' ' ALA . 64.0 mt -53.45 -50.33 65.5 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-N 116.418 -0.355 . . . . 74.42 111.19 -178.587 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 13.1 ptt180 -75.09 -12.2 60.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.979 0.418 . . . . 74.33 111.079 -175.333 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 8.1 t -79.66 -26.67 40.98 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.135 -0.484 . . . . 71.3 109.768 177.686 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 125' ' ' PHE . . . . . 0.435 ' HE2' HD21 ' A' ' 69' ' ' LEU . 66.5 m-85 -83.72 -54.26 5.04 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.075 -0.511 . . . . 71.52 109.896 176.706 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 126' ' ' ILE . . . . . 0.431 HD13 ' H ' ' A' ' 126' ' ' ILE . 0.2 OUTLIER -130.24 134.99 61.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-O 121.23 0.538 . . . . 72.12 110.451 178.658 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 127' ' ' GLN . . . . . 0.522 ' H ' ' NE2' ' A' ' 127' ' ' GLN . 0.6 OUTLIER -127.75 124.64 38.25 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-N 115.823 -0.626 . . . . 72.32 110.265 179.394 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 80.7 m-85 -120.91 86.25 2.54 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 116.065 -0.516 . . . . 73.4 110.087 178.854 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 46.2 mmtm 57.91 73.24 0.48 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.154 -0.93 . . . . 75.41 111.347 -179.841 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -88.22 -63.14 1.34 Allowed 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.883 -0.599 . . . . 52.41 110.048 178.757 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 96.24 -26.75 19.81 Favored Glycine 0 N--CA 1.45 -0.415 0 C-N-CA 120.73 -0.748 . . . . 41.33 112.683 176.777 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -90.74 117.19 29.18 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.303 0.573 . . . . 73.24 110.341 -178.581 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 28.3 m -89.98 146.9 5.63 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.813 0 CA-C-N 115.293 -0.867 . . . . 72.33 111.213 -175.166 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 134' ' ' LEU . . . . . 0.674 ' H ' HD23 ' A' ' 134' ' ' LEU . 2.5 pt? -77.59 74.12 4.15 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.891 0.853 . . . . 65.12 110.301 177.356 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 48.9 m -153.49 167.48 13.47 Favored Pre-proline 0 C--N 1.321 -0.673 0 CA-C-N 115.274 -0.875 . . . . 65.54 109.325 -177.82 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 136' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_exo -56.23 101.13 0.09 OUTLIER 'Trans proline' 0 C--N 1.348 0.516 0 C-N-CA 122.445 2.097 . . . . 52.02 112.199 177.007 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 92.0 mt -103.09 92.99 4.77 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.844 -0.616 . . . . 74.34 109.777 177.659 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 138' ' ' LYS . . . . . 0.895 ' HB3' ' HD2' ' A' ' 139' ' ' PRO . 99.1 mttt 66.39 176.68 0.06 OUTLIER Pre-proline 0 CA--C 1.539 0.528 0 O-C-N 123.614 0.571 . . . . 72.33 110.127 -176.918 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 139' ' ' PRO . . . . . 0.895 ' HD2' ' HB3' ' A' ' 138' ' ' LYS . 6.1 Cg_exo -38.75 108.68 0.07 OUTLIER 'Trans proline' 0 C--N 1.357 0.984 0 C-N-CA 123.743 2.962 . . . . 73.34 113.717 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.066 0 CA-C-N 115.708 -0.678 . . . . 73.24 110.13 179.696 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 21.0 m . . . . . 0 N--CA 1.477 0.899 0 N-CA-C 110.145 -0.317 . . . . 72.55 110.145 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 2.5 t70 70.02 102.15 0.04 OUTLIER Pre-proline 0 N--CA 1.467 0.409 0 O-C-N 123.852 0.72 . . . . 64.33 110.124 178.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 16.8 Cg_exo -66.83 114.18 3.05 Favored 'Trans proline' 0 C--N 1.343 0.271 0 C-N-CA 123.168 2.578 . . . . 74.32 112.962 -173.527 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 17.3 ptpt -165.98 177.21 7.22 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.062 -0.517 . . . . 71.15 110.186 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 61.7 mttp -87.99 117.63 26.98 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 121.111 0.481 . . . . 73.21 111.174 177.701 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.4 ' HG2' ' H ' ' A' ' 53' ' ' LYS . 16.8 pttm -68.31 -20.58 64.76 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.456 -0.793 . . . . 64.44 110.026 174.787 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 11.1 tmm? -153.98 123.39 6.58 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 114.592 -1.186 . . . . 72.33 107.891 177.762 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 52.3 t -66.37 -78.16 0.06 Allowed 'General case' 0 C--N 1.327 -0.378 0 O-C-N 123.285 0.366 . . . . 74.14 110.883 -176.448 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 8.0 ttpm? -165.18 136.07 3.93 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 108.751 -0.833 . . . . 64.11 108.751 176.442 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -71.68 94.85 1.39 Allowed 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.314 0.578 . . . . 75.51 110.916 -174.911 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 23.6 mmm180 -82.01 -20.56 38.17 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.2 -0.909 . . . . 74.43 110.624 177.905 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 15.9 pt -135.42 146.87 59.57 Favored Pre-proline 0 C--N 1.325 -0.466 0 CA-C-N 115.83 -0.623 . . . . 54.32 110.479 -179.291 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 88.6 Cg_endo -81.86 -169.69 0.82 Allowed 'Trans proline' 0 C--O 1.236 0.375 0 C-N-CA 122.896 2.397 . . . . 65.44 112.061 178.417 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -100.12 127.8 32.41 Favored Pre-proline 0 C--N 1.325 -0.462 0 CA-C-N 116.38 -0.373 . . . . 70.12 110.719 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 94.2 Cg_endo -80.79 -142.92 0.02 OUTLIER 'Trans proline' 0 N--CA 1.457 -0.619 0 C-N-CA 122.669 2.246 . . . . 72.42 109.634 168.232 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 8.7 mtpm? -78.36 79.2 4.81 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 109.246 -0.65 . . . . 75.51 109.246 171.555 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 22.5 p-10 -57.07 131.03 48.66 Favored 'General case' 0 CA--C 1.515 -0.372 0 CA-C-O 122.124 0.964 . . . . 63.3 111.55 -175.668 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 39.9 p -61.1 -25.93 67.31 Favored 'General case' 0 C--N 1.314 -0.957 0 CA-C-N 113.824 -1.535 . . . . 62.33 111.551 -176.27 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 46.3 t -59.47 -46.78 92.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 115.519 -0.764 . . . . 74.54 110.462 177.501 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -67.22 -36.8 82.44 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.048 0.451 . . . . 55.1 110.191 178.24 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 75.6 mmm -59.47 -40.93 88.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.602 -0.726 . . . . 73.14 110.23 177.212 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.608 ' HB3' HD13 ' A' ' 76' ' ' LEU . 6.2 mt -63.53 -32.52 74.0 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.078 -0.51 . . . . 74.01 111.364 178.093 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . 0.452 ' ND2' HD11 ' A' ' 76' ' ' LEU . 0.9 OUTLIER -66.5 -27.51 67.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.345 0.593 . . . . 65.22 109.857 -179.04 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 51.9 mm-40 -80.94 -24.62 38.02 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 114.921 -1.036 . . . . 74.52 111.012 179.52 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 90.3 mt -90.49 -63.32 1.29 Allowed 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.079 -0.509 . . . . 63.55 111.875 -178.167 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 22.9 mmm180 -139.93 143.73 36.75 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.035 0.445 . . . . 74.05 111.922 -173.329 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 3.3 p-80 -90.92 162.32 14.81 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 108.815 -0.809 . . . . 73.1 108.815 169.396 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 87.89 40.1 6.79 Favored Glycine 0 N--CA 1.442 -0.909 0 C-N-CA 120.148 -1.025 . . . . 72.02 110.754 -176.806 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.653 ' H ' HD23 ' A' ' 76' ' ' LEU . 1.1 pt? -106.58 100.71 10.21 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.182 0.515 . . . . 72.43 109.948 178.516 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.534 ' O ' ' HA ' ' A' ' 96' ' ' VAL . 4.8 mp -100.93 110.5 28.01 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.7 0 CA-C-N 116.113 -0.494 . . . . 65.44 110.706 -176.805 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . 0.508 ' CD1' ' HB ' ' A' ' 96' ' ' VAL . 92.6 m-85 -89.14 121.44 31.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.417 -0.356 . . . . 70.35 110.043 176.59 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 18.3 ptpt -133.86 138.93 45.9 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-O 120.768 0.318 . . . . 73.44 110.611 178.644 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.524 HD21 ' HB2' ' A' ' 83' ' ' GLN . 43.3 tp -79.15 103.8 9.33 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 108.89 -0.781 . . . . 74.34 108.89 174.853 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -86.48 -28.04 23.7 Favored 'General case' 0 C--N 1.324 -0.529 0 C-N-CA 120.113 -0.635 . . . . 74.32 111.603 -175.354 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 46.7 m -154.71 140.36 17.98 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.733 0.302 . . . . 55.45 110.453 177.86 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . 0.524 ' HB2' HD21 ' A' ' 80' ' ' LEU . 23.6 tm0? -130.62 113.87 14.74 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 109.035 -0.728 . . . . 60.45 109.035 174.65 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 18.9 p -140.06 150.11 43.96 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.106 -0.497 . . . . 64.34 110.98 -175.308 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 131.36 177.92 15.17 Favored Glycine 0 N--CA 1.445 -0.708 0 C-N-CA 120.635 -0.793 . . . . 64.14 112.049 175.444 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 44.5 Cg_endo -66.85 167.44 19.55 Favored 'Trans proline' 0 N--CA 1.462 -0.325 0 C-N-CA 122.603 2.202 . . . . 62.02 111.624 178.492 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 35.2 m -84.99 -14.81 11.04 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 C-N-CA 121.004 -0.278 . . . . 64.5 111.68 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 39.6 p-80 -84.34 -28.53 26.98 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.969 0.414 . . . . 64.42 110.306 177.889 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -150.61 76.0 8.38 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-N 115.929 -0.578 . . . . 72.02 110.118 177.744 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . 0.402 ' HB2' ' CE1' ' A' ' 92' ' ' PHE . 5.1 Cg_exo -75.91 154.56 38.39 Favored 'Trans proline' 0 N--CA 1.457 -0.668 0 C-N-CA 122.581 2.187 . . . . 52.52 112.35 -178.048 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.479 HD11 ' HB3' ' A' ' 106' ' ' GLN . 2.9 tm? -110.75 116.84 31.99 Favored 'General case' 0 N--CA 1.443 -0.793 0 CA-C-O 121.409 0.623 . . . . 74.24 109.47 177.646 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.402 ' CE1' ' HB2' ' A' ' 90' ' ' PRO . 18.2 m-85 -101.41 132.09 47.18 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 115.488 -0.778 . . . . 74.35 109.066 179.582 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . 0.458 HG22 HD11 ' A' ' 104' ' ' LEU . 14.6 m -114.2 100.9 8.71 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 121.092 0.472 . . . . 73.52 109.905 -176.935 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 0.531 HG21 ' HA ' ' A' ' 114' ' ' ARG . 5.5 mm -96.67 126.76 49.29 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.698 0 CA-C-N 115.507 -0.77 . . . . 72.31 109.82 -179.323 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . 0.572 ' HB2' ' HD3' ' A' ' 102' ' ' LYS . 1.8 p -106.73 124.2 49.26 Favored 'General case' 0 N--CA 1.437 -1.114 0 CA-C-N 115.523 -0.762 . . . . 61.43 109.657 176.29 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.534 ' HA ' ' O ' ' A' ' 77' ' ' ILE . 7.3 p -115.93 120.65 65.45 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.851 0 CA-C-O 121.582 0.706 . . . . 65.31 110.283 177.139 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . 0.466 ' HA ' ' HA ' ' A' ' 102' ' ' LYS . 15.9 tt0 -97.34 115.04 26.94 Favored 'General case' 0 C--N 1.308 -1.23 0 N-CA-C 108.669 -0.863 . . . . 75.14 108.669 177.407 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 13.2 t -123.02 118.6 55.35 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 CA-C-N 115.886 -0.597 . . . . 53.42 109.938 -177.75 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 25.1 t70 66.26 16.89 10.59 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.537 0.684 . . . . 63.3 110.455 175.114 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 109.81 -26.28 14.65 Favored Glycine 0 N--CA 1.451 -0.338 0 CA-C-N 115.821 -0.627 . . . . 52.15 112.389 -179.047 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' GLN . . . . . 0.434 ' HB3' ' CE2' ' A' ' 103' ' ' TYR . 0.0 OUTLIER -88.16 128.92 35.45 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 110.186 -0.301 . . . . 61.43 110.186 -177.266 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . 0.572 ' HD3' ' HB2' ' A' ' 95' ' ' SER . 2.5 tmmm? -96.8 118.35 33.04 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.89 0.376 . . . . 74.04 110.147 179.65 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' TYR . . . . . 0.48 ' CD1' ' HA ' ' A' ' 121' ' ' ALA . 57.6 m-85 -106.29 142.06 36.59 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.634 -0.712 . . . . 71.0 110.0 178.441 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.458 HD11 HG22 ' A' ' 93' ' ' THR . 12.3 tp -108.43 144.67 35.72 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 120.782 0.325 . . . . 71.41 111.071 -177.236 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . 0.5 ' HA3' ' N ' ' A' ' 117' ' ' ALA . . . -142.28 138.56 8.58 Favored Glycine 0 N--CA 1.448 -0.541 0 N-CA-C 111.474 -0.651 . . . . 63.32 111.474 176.938 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . 0.479 ' HB3' HD11 ' A' ' 91' ' ' LEU . 17.9 mt-30 -124.74 123.08 39.22 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 120.827 0.346 . . . . 64.3 110.968 -174.188 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -140.08 -179.52 17.95 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.916 -0.659 . . . . 73.33 112.019 -177.768 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 16.5 mmt180 -86.71 0.03 55.42 Favored 'General case' 0 N--CA 1.466 0.37 0 CA-C-O 121.247 0.546 . . . . 73.25 110.563 -177.323 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 67.0 m -161.25 164.22 30.46 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 108.653 -0.869 . . . . 71.02 108.653 -179.744 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . 0.442 ' HE2' HD22 ' A' ' 80' ' ' LEU . 86.5 mttt -54.99 -43.31 73.46 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-O 120.933 0.397 . . . . 65.4 110.822 179.23 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 81.5 tttt -60.31 -51.43 69.56 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.648 -0.705 . . . . 71.41 110.981 -177.748 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . 0.6 ' O ' ' HG2' ' A' ' 116' ' ' GLU . 30.3 t -57.99 -53.12 49.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 115.377 -0.828 . . . . 61.01 110.633 177.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -58.97 -36.6 75.12 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.988 -0.551 . . . . 72.11 111.738 -176.815 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 114' ' ' ARG . . . . . 0.531 ' HA ' HG21 ' A' ' 94' ' ' ILE . 39.7 ttm180 -59.86 -45.47 92.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.135 -0.484 . . . . 74.42 110.449 178.273 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 52.5 mt -65.6 -45.83 91.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 115.757 -0.656 . . . . 73.41 111.227 176.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . 0.6 ' HG2' ' O ' ' A' ' 112' ' ' VAL . 7.0 mm-40 -58.69 -38.2 77.74 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.056 0.455 . . . . 62.43 110.952 178.762 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . 0.522 ' HB1' HG12 ' A' ' 96' ' ' VAL . . . -63.87 -46.67 83.93 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.81 -0.632 . . . . 45.23 111.095 178.397 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . 0.563 ' O ' ' HG ' ' A' ' 122' ' ' LEU . . . -66.46 -27.24 67.65 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.922 -0.581 . . . . 70.24 111.082 -179.386 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -61.31 -45.39 94.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.06 -0.518 . . . . 73.43 110.878 177.614 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 120' ' ' THR . . . . . 0.418 ' O ' ' HG2' ' A' ' 123' ' ' ARG . 35.8 m -62.77 -40.22 96.62 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.985 -0.552 . . . . 64.54 110.266 176.628 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . 0.48 ' HA ' ' CD1' ' A' ' 103' ' ' TYR . . . -57.21 -52.11 66.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.652 -0.704 . . . . 51.11 111.103 179.501 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . 0.563 ' HG ' ' O ' ' A' ' 118' ' ' ALA . 64.4 mt -52.17 -50.58 61.56 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.879 -0.6 . . . . 51.04 111.735 -176.161 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 123' ' ' ARG . . . . . 0.418 ' HG2' ' O ' ' A' ' 120' ' ' THR . 11.6 ptm180 -66.74 -20.88 66.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 74.44 111.48 -174.193 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 8.5 t -78.98 -29.26 43.73 Favored 'General case' 0 C--N 1.327 -0.397 0 C-N-CA 120.928 -0.309 . . . . 71.25 110.579 178.207 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 79.8 m-85 -81.47 -61.57 1.9 Allowed 'General case' 0 CA--C 1.516 -0.338 0 CA-C-O 120.941 0.4 . . . . 72.04 110.374 -179.704 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 126' ' ' ILE . . . . . 0.528 HD13 ' H ' ' A' ' 126' ' ' ILE . 0.3 OUTLIER -114.84 137.29 48.76 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.68 0 CA-C-N 115.942 -0.572 . . . . 71.42 109.581 179.583 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -122.05 140.75 52.12 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-O 121.437 0.637 . . . . 54.13 111.36 -177.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 94.4 m-85 -136.48 146.58 46.45 Favored 'General case' 0 C--N 1.316 -0.86 0 CA-C-N 115.363 -0.835 . . . . 74.51 109.06 177.794 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 30.1 mmtp -72.34 130.76 41.51 Favored 'General case' 0 C--N 1.32 -0.694 0 C-N-CA 120.442 -0.503 . . . . 71.53 110.337 -178.118 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 51.4 m-20 64.57 18.87 11.6 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 114.807 -1.088 . . . . 72.2 110.895 -172.267 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . -86.32 49.22 4.05 Favored Glycine 0 N--CA 1.45 -0.418 0 N-CA-C 110.172 -1.171 . . . . 72.42 110.172 171.204 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -76.8 148.83 36.38 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.001 -0.599 . . . . 74.51 111.902 -171.462 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 35.2 m -108.99 143.1 19.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 115.852 -0.613 . . . . 64.0 109.921 177.435 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 6.8 mp -123.62 80.79 1.83 Allowed 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.067 0.46 . . . . 71.42 110.216 178.65 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 3.9 p -106.46 150.78 39.94 Favored Pre-proline 0 C--N 1.321 -0.649 0 CA-C-N 115.908 -0.587 . . . . 61.52 110.365 179.05 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 136' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_endo -75.76 54.35 3.97 Favored 'Trans proline' 0 C--N 1.344 0.34 0 C-N-CA 122.866 2.377 . . . . 74.55 112.82 -177.765 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 68.9 mt -69.56 -35.63 75.57 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.666 -0.697 . . . . 72.02 110.584 179.283 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 7.3 tmtt? -134.75 86.09 34.37 Favored Pre-proline 0 C--N 1.326 -0.453 0 N-CA-C 109.287 -0.635 . . . . 71.15 109.287 177.556 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 4.6 Cg_exo -79.14 -72.1 0.01 OUTLIER 'Trans proline' 0 N--CA 1.46 -0.48 0 C-N-CA 122.99 2.46 . . . . 65.24 112.119 178.486 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.072 0 CA-C-O 118.645 -0.693 . . . . 52.5 110.161 -179.115 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 41.4 m . . . . . 0 N--CA 1.475 0.786 0 CA-C-O 120.918 0.39 . . . . 74.42 111.209 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.475 ' OD2' ' HE3' ' A' ' 51' ' ' LYS . 8.7 p-10 -133.63 111.95 12.63 Favored Pre-proline 0 C--N 1.328 -0.359 0 CA-C-O 121.223 0.535 . . . . 72.11 109.734 176.067 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 91.5 Cg_endo -80.95 -8.64 13.17 Favored 'Trans proline' 0 N--CA 1.461 -0.429 0 C-N-CA 122.281 1.988 . . . . 74.42 111.906 179.496 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.947 ' HA ' ' HE2' ' A' ' 51' ' ' LYS . 10.2 mmpt? 68.2 -3.41 1.28 Allowed 'General case' 0 N--CA 1.468 0.459 0 CA-C-N 115.38 -0.827 . . . . 71.44 111.455 -177.487 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.438 ' HE2' ' HB2' ' A' ' 52' ' ' LYS . 11.2 tppt? -66.26 112.33 3.92 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.289 -0.414 . . . . 74.11 110.101 -178.604 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 72.8 mmtt 71.95 -15.72 0.44 Allowed 'General case' 0 N--CA 1.47 0.553 0 O-C-N 123.912 0.757 . . . . 71.5 111.536 179.543 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' MET . . . . . 0.421 ' H ' ' C ' ' A' ' 52' ' ' LYS . 95.7 mmm -86.59 64.39 8.5 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.436 0.636 . . . . 75.14 110.288 177.927 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 74.1 m -140.64 -177.09 4.9 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.186 -0.916 . . . . 72.34 110.173 -178.611 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 28.5 mtpp -117.31 30.15 7.47 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.115 0.484 . . . . 75.14 110.278 -177.246 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -84.9 25.07 0.97 Allowed 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.824 -0.625 . . . . 44.5 110.425 -175.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -76.04 -19.96 58.19 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.15 -0.477 . . . . 75.13 111.326 -176.186 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.469 ' HA ' ' HD3' ' A' ' 60' ' ' PRO . 5.5 pt -91.42 139.19 25.22 Favored Pre-proline 0 C--N 1.321 -0.646 0 CA-C-N 115.977 -0.556 . . . . 64.43 111.774 -173.088 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . 0.469 ' HD3' ' HA ' ' A' ' 59' ' ' ILE . 25.5 Cg_exo -63.87 -24.3 68.03 Favored 'Trans proline' 0 C--N 1.346 0.409 0 C-N-CA 123.169 2.58 . . . . 61.33 112.24 -179.904 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 3.7 pt20 -107.63 103.81 50.55 Favored Pre-proline 0 C--N 1.326 -0.428 0 CA-C-N 116.09 -0.504 . . . . 73.14 109.727 175.021 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . 0.664 ' HB3' ' HB3' ' A' ' 67' ' ' ALA . 46.0 Cg_exo -57.31 115.94 2.86 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 123.223 2.615 . . . . 73.43 113.482 -175.122 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.408 ' HD3' ' HA ' ' A' ' 63' ' ' LYS . 64.7 mmtt -92.39 1.14 57.41 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.951 -0.568 . . . . 72.14 110.969 175.709 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . 0.601 ' HB3' HG12 ' A' ' 115' ' ' ILE . 0.0 OUTLIER -122.87 145.51 48.38 Favored 'General case' 0 C--O 1.239 0.533 0 CA-C-O 121.684 0.754 . . . . 60.41 111.074 -178.821 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.417 HG22 HD12 ' A' ' 122' ' ' LEU . 12.4 p -67.42 -13.29 61.89 Favored 'General case' 0 C--N 1.316 -0.883 0 CA-C-N 114.498 -1.228 . . . . 72.41 110.734 177.421 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 86.3 t -67.52 -48.21 77.78 Favored 'Isoleucine or valine' 0 C--O 1.233 0.196 0 CA-C-N 115.994 -0.548 . . . . 65.25 110.503 179.777 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.664 ' HB3' ' HB3' ' A' ' 62' ' ' PRO . . . -63.19 -37.97 89.34 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.086 -0.507 . . . . 64.4 109.99 176.712 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 73.5 mmm -57.81 -40.58 80.29 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.619 -0.719 . . . . 72.1 110.879 175.428 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.568 ' HB3' HD13 ' A' ' 76' ' ' LEU . 4.4 mt -63.89 -34.36 77.78 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.02 -0.536 . . . . 75.51 111.427 179.308 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . 0.522 ' ND2' HD11 ' A' ' 76' ' ' LEU . 1.2 m-80 -70.7 -20.91 62.63 Favored 'General case' 0 N--CA 1.467 0.393 0 CA-C-O 121.337 0.589 . . . . 61.34 110.031 -178.545 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 21.2 mm-40 -78.31 -32.29 49.26 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.479 -0.782 . . . . 74.14 110.443 176.387 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 90.7 mt -90.15 -50.68 5.86 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.003 -0.544 . . . . 74.24 111.867 -174.818 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . 0.511 ' HG3' ' CZ ' ' A' ' 125' ' ' PHE . 1.8 mmp_? -137.84 164.06 29.88 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.133 0.492 . . . . 65.44 111.278 -175.016 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 1.7 p-80 -126.05 166.91 16.11 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.735 -0.666 . . . . 75.54 109.372 173.489 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 85.16 25.66 39.54 Favored Glycine 0 N--CA 1.448 -0.531 0 C-N-CA 120.215 -0.993 . . . . 51.31 111.236 -176.269 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.849 ' H ' HD23 ' A' ' 76' ' ' LEU . 1.7 pt? -95.24 118.62 32.34 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.107 0.48 . . . . 71.3 110.099 -179.778 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 4.3 mp -114.61 114.71 47.38 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 CA-C-N 115.863 -0.608 . . . . 63.11 110.527 -178.534 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 95.0 m-85 -88.85 124.0 33.77 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.281 -0.418 . . . . 74.45 110.187 177.605 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 17.3 ptpt -136.15 135.74 39.47 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 116.096 -0.502 . . . . 41.43 110.875 -178.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 45.0 tp -76.48 103.0 6.25 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 109.125 -0.694 . . . . 71.11 109.125 174.359 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -92.4 -22.98 19.35 Favored 'General case' 0 C--N 1.325 -0.466 0 C-N-CA 120.883 -0.327 . . . . 74.31 111.694 -175.732 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . 0.505 ' HB2' ' HB ' ' A' ' 93' ' ' THR . 48.5 m -150.13 144.6 25.8 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 120.863 0.363 . . . . 72.41 111.022 -179.316 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 19.5 tm0? -146.12 120.12 9.39 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 109.496 -0.557 . . . . 62.34 109.496 177.889 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 7.4 p -147.15 155.46 42.15 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.295 -0.412 . . . . 62.11 110.854 -179.048 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 120.23 175.71 15.62 Favored Glycine 0 N--CA 1.449 -0.466 0 C-N-CA 120.587 -0.816 . . . . 63.01 112.816 176.909 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo -73.02 153.68 52.39 Favored 'Trans proline' 0 C--O 1.222 -0.302 0 C-N-CA 123.213 2.609 . . . . 73.11 111.443 178.341 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 29.5 m -68.59 -21.49 26.12 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 N-CA-C 112.122 0.416 . . . . 75.24 112.122 -177.017 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 37.3 p-80 -78.12 -33.17 50.68 Favored 'General case' 0 C--O 1.232 0.155 0 C-N-CA 120.784 -0.366 . . . . 75.44 110.872 179.385 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -147.71 72.48 11.56 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.321 -0.4 . . . . 72.31 110.499 179.488 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . 0.508 ' O ' ' HA ' ' A' ' 108' ' ' ARG . 1.0 OUTLIER -81.71 164.04 18.48 Favored 'Trans proline' 0 N--CA 1.454 -0.832 0 C-N-CA 122.692 2.261 . . . . 53.43 112.662 -175.989 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -112.18 119.01 36.92 Favored 'General case' 0 C--N 1.32 -0.716 0 N-CA-C 108.896 -0.779 . . . . 74.21 108.896 175.725 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.443 ' O ' ' HA ' ' A' ' 106' ' ' GLN . 69.0 m-85 -106.0 135.25 47.79 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 115.474 -0.784 . . . . 72.15 109.842 179.732 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . 0.505 ' HB ' ' HB2' ' A' ' 82' ' ' SER . 38.7 m -117.58 101.72 8.59 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 121.129 0.49 . . . . 74.11 110.044 -178.493 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 0.52 HG21 ' HA ' ' A' ' 114' ' ' ARG . 6.3 mm -99.33 129.43 49.82 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 CA-C-N 115.591 -0.731 . . . . 74.25 109.628 179.454 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . 0.604 ' HB2' ' HD3' ' A' ' 102' ' ' LYS . 2.2 p -108.86 144.21 37.04 Favored 'General case' 0 C--N 1.314 -0.957 0 CA-C-N 116.362 -0.381 . . . . 42.04 110.115 174.311 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.455 HG12 ' HB1' ' A' ' 117' ' ' ALA . 7.6 p -136.89 126.07 36.75 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.829 0 CA-C-O 121.099 0.476 . . . . 71.53 110.298 175.67 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . 0.473 ' HA ' ' HA ' ' A' ' 102' ' ' LYS . 25.7 tt0 -94.36 114.46 26.51 Favored 'General case' 0 C--N 1.315 -0.908 0 N-CA-C 109.094 -0.706 . . . . 63.13 109.094 177.368 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 30.0 t -123.0 116.86 49.96 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.83 0 CA-C-N 115.75 -0.659 . . . . 64.24 110.149 -175.819 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 14.4 t70 62.57 21.61 12.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.607 -0.724 . . . . 60.44 110.683 178.755 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 107.44 -28.65 12.04 Favored Glycine 0 N--CA 1.449 -0.478 0 C-N-CA 120.81 -0.709 . . . . 63.44 112.37 179.36 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 12.5 mm-40 -86.24 129.18 34.94 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 120.984 0.421 . . . . 32.21 111.053 -179.151 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . 0.604 ' HD3' ' HB2' ' A' ' 95' ' ' SER . 0.7 OUTLIER -96.96 110.56 23.06 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.886 -0.597 . . . . 72.1 109.905 -177.767 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 70.8 m-85 -98.41 164.67 12.19 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.988 -0.551 . . . . 73.52 110.066 -178.719 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 12.0 tp -133.33 145.34 50.32 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.659 0.266 . . . . 71.2 110.777 -177.057 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . 0.459 ' HA3' ' N ' ' A' ' 117' ' ' ALA . . . -141.75 135.9 7.04 Favored Glycine 0 N--CA 1.447 -0.626 0 N-CA-C 111.538 -0.625 . . . . 71.14 111.538 176.279 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . 0.443 ' HA ' ' O ' ' A' ' 92' ' ' PHE . 23.5 mt-30 -122.14 119.59 31.74 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 120.746 0.307 . . . . 55.22 110.659 -176.78 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -136.63 174.78 21.4 Favored Glycine 0 N--CA 1.449 -0.49 0 C-N-CA 120.853 -0.689 . . . . 63.02 112.426 -177.587 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . 0.508 ' HA ' ' O ' ' A' ' 90' ' ' PRO . 28.9 mmt180 -84.12 5.64 25.42 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.177 0.513 . . . . 73.03 111.28 -178.182 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . 0.579 ' HB2' HG23 ' A' ' 112' ' ' VAL . 27.2 m -159.55 161.79 35.29 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 108.672 -0.862 . . . . 74.43 108.672 -179.667 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 95.9 mttt -59.96 -37.13 78.69 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.425 0.631 . . . . 73.24 109.937 178.38 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 9.7 tmtt? -63.57 -45.84 88.63 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.194 -0.912 . . . . 65.12 110.862 178.303 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . 0.579 HG23 ' HB2' ' A' ' 109' ' ' SER . 27.6 t -63.82 -53.35 45.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.148 -0.478 . . . . 73.14 110.536 -179.156 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -58.13 -38.84 77.29 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.597 -0.729 . . . . 71.1 111.806 -175.846 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 114' ' ' ARG . . . . . 0.52 ' HA ' HG21 ' A' ' 94' ' ' ILE . 9.1 ttp180 -58.1 -44.89 87.92 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 121.369 0.604 . . . . 73.35 110.39 178.006 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 115' ' ' ILE . . . . . 0.601 HG12 ' HB3' ' A' ' 64' ' ' ASN . 60.9 mt -69.37 -44.88 79.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-N 115.512 -0.767 . . . . 71.44 111.621 179.513 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . 0.483 ' HG2' ' O ' ' A' ' 112' ' ' VAL . 8.2 mm-40 -58.58 -36.2 73.58 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.956 0.407 . . . . 75.42 111.194 178.513 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . 0.459 ' N ' ' HA3' ' A' ' 105' ' ' GLY . . . -63.51 -43.75 96.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.116 -0.493 . . . . 72.31 110.619 176.836 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -69.61 -29.59 67.14 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.686 -0.688 . . . . 44.13 111.138 -179.404 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -62.83 -45.37 92.91 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.033 0.444 . . . . 75.53 110.612 178.303 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 28.5 m -59.95 -36.47 77.17 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.808 -0.633 . . . . 63.33 110.527 176.358 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -66.28 -47.5 73.45 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.712 -0.676 . . . . 61.4 111.333 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . 0.417 HD12 HG22 ' A' ' 65' ' ' THR . 30.4 mt -59.0 -46.72 87.47 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.607 -0.269 . . . . 74.33 111.451 -177.914 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 25.2 ptt180 -68.63 -19.29 64.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.069 0.461 . . . . 73.45 110.587 -177.385 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 34.6 t -72.96 -30.63 63.99 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.053 -0.521 . . . . 73.04 110.332 176.875 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 125' ' ' PHE . . . . . 0.511 ' CZ ' ' HG3' ' A' ' 73' ' ' ARG . 60.7 m-85 -85.88 -58.29 2.71 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.115 -0.493 . . . . 70.22 110.462 179.712 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 126' ' ' ILE . . . . . 0.509 HD13 ' H ' ' A' ' 126' ' ' ILE . 0.2 OUTLIER -126.78 137.23 58.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-O 121.282 0.563 . . . . 75.24 111.271 -177.276 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 127' ' ' GLN . . . . . 0.443 ' NE2' ' HA ' ' A' ' 127' ' ' GLN . 6.7 mm-40 -145.58 135.52 23.62 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.823 -0.626 . . . . 72.43 110.966 175.697 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 70.1 m-85 -119.27 19.25 12.85 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 115.1 -0.955 . . . . 70.2 108.795 176.798 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . 0.408 ' HG3' ' N ' ' A' ' 130' ' ' ASP . 14.8 tppt? -155.19 173.5 16.53 Favored 'General case' 0 N--CA 1.451 -0.425 0 CA-C-N 114.858 -1.064 . . . . 64.02 108.92 -174.427 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 130' ' ' ASP . . . . . 0.408 ' N ' ' HG3' ' A' ' 129' ' ' LYS . 3.7 m-20 -58.1 -45.61 86.92 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 109.246 -0.65 . . . . 61.43 109.246 172.519 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 72.89 7.7 71.06 Favored Glycine 0 C--N 1.333 0.376 0 CA-C-N 115.124 -0.944 . . . . 63.34 113.335 174.569 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -144.11 158.98 43.4 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 120.913 0.387 . . . . 73.11 111.044 -177.036 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 15.5 m -125.4 126.74 71.12 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 CA-C-N 115.631 -0.713 . . . . 71.02 109.275 173.815 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 89.0 mt -85.33 83.28 8.02 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.463 0.649 . . . . 74.5 111.417 -175.915 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 135' ' ' SER . . . . . 0.466 ' HB3' ' HD2' ' A' ' 136' ' ' PRO . 32.7 m -106.48 164.26 15.27 Favored Pre-proline 0 C--N 1.318 -0.802 0 CA-C-N 115.205 -0.907 . . . . 74.15 109.101 175.082 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 136' ' ' PRO . . . . . 0.466 ' HD2' ' HB3' ' A' ' 135' ' ' SER . 43.8 Cg_endo -69.55 70.78 1.45 Allowed 'Trans proline' 0 C--N 1.344 0.316 0 C-N-CA 122.391 2.061 . . . . 74.4 111.822 176.33 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 137' ' ' LEU . . . . . 0.735 HD12 ' HG3' ' A' ' 138' ' ' LYS . 3.2 pp -91.17 -20.09 22.36 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.797 -0.638 . . . . 74.23 110.355 -178.722 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 138' ' ' LYS . . . . . 0.735 ' HG3' HD12 ' A' ' 137' ' ' LEU . 68.6 mttm -102.42 103.28 30.38 Favored Pre-proline 0 C--N 1.329 -0.32 0 N-CA-C 108.939 -0.764 . . . . 63.51 108.939 172.539 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 139' ' ' PRO . . . . . 0.415 ' HD3' ' HA ' ' A' ' 138' ' ' LYS . 2.4 Cg_endo -80.52 100.63 1.25 Allowed 'Trans proline' 0 N--CA 1.452 -0.934 0 C-N-CA 122.771 2.314 . . . . 61.14 111.909 -176.444 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.898 0 CA-C-O 118.711 -0.662 . . . . 37.58 109.955 177.813 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 13.9 m . . . . . 0 N--CA 1.477 0.924 0 CA-C-O 120.936 0.398 . . . . 62.2 110.242 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 33.6 m-20 -110.98 164.13 15.64 Favored Pre-proline 0 C--N 1.322 -0.623 0 CA-C-N 116.282 -0.417 . . . . 72.42 109.913 -179.194 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 11.8 Cg_exo -71.97 38.44 0.36 Allowed 'Trans proline' 0 C--N 1.347 0.453 0 C-N-CA 123.267 2.645 . . . . 44.44 112.781 179.455 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 57.0 mtpt -78.63 76.69 5.13 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.931 0.396 . . . . 64.42 110.329 178.555 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 71.5 mmtt -72.48 120.86 18.68 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.931 -0.577 . . . . 74.52 109.815 -179.043 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 25.5 tptp -104.89 125.88 51.38 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.133 -0.485 . . . . 73.34 110.187 -178.15 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 11.7 tmm? -120.92 131.96 54.67 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 109.612 -0.514 . . . . 74.23 109.612 178.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 46.2 t -164.7 165.79 20.54 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 108.981 -0.748 . . . . 63.12 108.981 179.418 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.603 ' HD2' ' H ' ' A' ' 56' ' ' LYS . 0.0 OUTLIER -121.64 128.55 52.02 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.357 0.599 . . . . 64.15 110.838 179.906 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -132.29 177.75 7.34 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.571 -0.741 . . . . 73.34 109.455 175.447 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 88.4 mtm180 -91.31 128.15 37.03 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.0 0.429 . . . . 71.43 110.783 179.517 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 69.0 mt -113.64 93.96 30.46 Favored Pre-proline 0 C--N 1.323 -0.579 0 CA-C-N 115.903 -0.59 . . . . 71.04 109.688 177.422 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 96.1 Cg_endo -93.23 154.65 2.56 Favored 'Trans proline' 0 N--CA 1.455 -0.79 0 C-N-CA 122.814 2.343 . . . . 71.22 113.332 -177.546 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 25.7 mt-30 -138.03 87.95 15.99 Favored Pre-proline 0 C--N 1.325 -0.498 0 CA-C-N 115.911 -0.586 . . . . 74.21 110.361 174.275 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 13.3 Cg_exo -69.37 -70.49 0.02 OUTLIER 'Trans proline' 0 C--N 1.342 0.231 0 C-N-CA 122.723 2.282 . . . . 73.2 111.38 178.456 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.706 ' HA ' ' HE3' ' A' ' 63' ' ' LYS . 1.2 tpmt? -131.37 87.03 2.41 Favored 'General case' 0 N--CA 1.449 -0.499 0 N-CA-C 109.073 -0.714 . . . . 72.15 109.073 174.348 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . 0.468 ' ND2' ' HB ' ' A' ' 66' ' ' VAL . 16.8 p-10 -83.13 142.23 31.39 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.777 -0.647 . . . . 72.2 110.037 178.107 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 41.4 p -57.19 -27.33 61.85 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 115.028 -0.987 . . . . 74.54 111.051 -179.671 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.468 ' HB ' ' ND2' ' A' ' 64' ' ' ASN . 35.3 t -56.97 -46.88 84.09 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-N 115.453 -0.794 . . . . 71.14 110.49 175.615 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.605 ' O ' ' HG3' ' A' ' 71' ' ' GLU . . . -68.53 -39.83 80.98 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.976 -0.557 . . . . 73.23 109.981 178.148 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' MET . . . . . 0.434 ' HB2' HD11 ' A' ' 122' ' ' LEU . 80.6 mmm -56.27 -43.4 78.72 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 115.65 -0.705 . . . . 73.24 111.272 177.614 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.887 ' HB3' HD13 ' A' ' 76' ' ' LEU . 1.5 mt -63.14 -34.62 78.01 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.189 -0.46 . . . . 72.35 110.837 179.513 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . 0.4 ' ND2' HD11 ' A' ' 76' ' ' LEU . 26.9 m-80 -72.52 -16.89 61.77 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.152 0.501 . . . . 74.54 110.143 178.885 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.605 ' HG3' ' O ' ' A' ' 67' ' ' ALA . 40.1 mt-10 -91.02 -17.66 25.9 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.722 -0.672 . . . . 61.12 110.445 178.098 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 61.2 mt -101.41 -69.11 0.79 Allowed 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.925 -0.58 . . . . 72.44 111.405 -178.631 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 21.5 mmm180 -132.31 109.01 9.58 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.114 -0.494 . . . . 61.34 110.704 -172.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 9.5 p-80 -81.29 159.88 24.34 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 109.48 -0.563 . . . . 74.12 109.48 176.365 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 99.31 24.75 9.97 Favored Glycine 0 N--CA 1.446 -0.65 0 N-CA-C 110.16 -1.176 . . . . 25.41 110.16 -168.295 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.887 HD13 ' HB3' ' A' ' 69' ' ' LEU . 1.7 pt? -97.42 117.01 30.72 Favored 'General case' 0 N--CA 1.448 -0.542 0 CA-C-N 114.612 -0.794 . . . . 72.11 110.17 -179.396 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.438 ' O ' ' HA ' ' A' ' 96' ' ' VAL . 4.2 mp -111.71 106.07 20.04 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.681 0 CA-C-N 116.507 -0.315 . . . . 63.13 110.865 -179.803 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . 0.578 ' CD2' ' HB ' ' A' ' 96' ' ' VAL . 81.4 m-85 -83.4 140.85 32.15 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 109.28 -0.637 . . . . 71.14 109.28 174.332 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . 0.401 ' HE3' ' HB3' ' A' ' 79' ' ' LYS . 8.1 ptpp? -151.02 151.44 32.05 Favored 'General case' 0 C--N 1.317 -0.832 0 N-CA-C 109.807 -0.442 . . . . 61.44 109.807 176.797 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 41.0 tp -91.55 106.28 18.37 Favored 'General case' 0 C--N 1.318 -0.782 0 N-CA-C 108.978 -0.749 . . . . 52.22 108.978 179.002 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -89.26 -24.1 22.17 Favored 'General case' 0 C--N 1.324 -0.528 0 C-N-CA 120.095 -0.642 . . . . 64.23 111.391 -175.888 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 62.2 m -157.21 150.56 23.96 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.675 0.274 . . . . 41.42 111.327 179.704 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 21.8 tm0? -143.64 117.47 9.33 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 109.133 -0.692 . . . . 73.2 109.133 175.323 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 19.3 p -145.91 141.25 27.61 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.474 -0.33 . . . . 62.45 111.21 -176.359 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 141.84 176.03 15.76 Favored Glycine 0 N--CA 1.45 -0.42 0 C-N-CA 120.29 -0.957 . . . . 65.44 112.991 174.846 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 59.0 Cg_endo -71.46 171.06 16.97 Favored 'Trans proline' 0 C--N 1.343 0.25 0 C-N-CA 123.004 2.469 . . . . 74.11 111.814 176.221 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 23.7 m -81.12 -18.78 11.67 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 C-N-CA 120.784 -0.366 . . . . 62.35 111.937 -178.391 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 32.9 p-80 -84.33 -27.95 27.41 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.948 0.404 . . . . 72.44 110.522 179.241 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -150.9 75.25 8.35 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-N 116.119 -0.491 . . . . 63.44 110.554 177.652 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . 0.505 ' O ' ' HA ' ' A' ' 108' ' ' ARG . 63.9 Cg_endo -78.96 156.42 26.76 Favored 'Trans proline' 0 N--CA 1.456 -0.698 0 C-N-CA 122.214 1.943 . . . . 75.34 111.547 179.652 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.507 HD11 ' HB3' ' A' ' 106' ' ' GLN . 22.7 tp -111.78 133.37 54.05 Favored 'General case' 0 C--N 1.315 -0.899 0 CA-C-O 121.092 0.472 . . . . 73.13 109.863 176.685 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.455 ' O ' ' HA ' ' A' ' 106' ' ' GLN . 12.1 m-85 -117.28 138.72 51.56 Favored 'General case' 0 C--N 1.312 -1.037 0 N-CA-C 108.752 -0.832 . . . . 74.12 108.752 178.233 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . 0.457 HG22 HD11 ' A' ' 104' ' ' LEU . 26.9 m -120.08 103.4 9.25 Favored 'General case' 0 C--N 1.316 -0.884 0 CA-C-O 121.12 0.485 . . . . 65.34 110.26 -176.573 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 0.437 HG21 ' HA ' ' A' ' 114' ' ' ARG . 9.6 mm -101.37 131.42 49.18 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-N 115.356 -0.838 . . . . 73.42 110.202 -177.899 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . 0.585 ' CB ' ' HD3' ' A' ' 102' ' ' LYS . 1.6 p -112.95 113.93 26.19 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-N 115.661 -0.699 . . . . 54.53 110.731 178.608 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.578 ' HB ' ' CD2' ' A' ' 78' ' ' TYR . 7.1 p -107.72 127.35 63.81 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-O 121.144 0.497 . . . . 55.11 109.863 177.05 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 11.4 tt0 -104.16 113.37 26.87 Favored 'General case' 0 C--N 1.313 -0.993 0 CA-C-N 116.124 -0.489 . . . . 75.44 110.135 -178.387 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 22.1 t -125.68 126.25 69.89 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.633 0 CA-C-N 115.406 -0.816 . . . . 71.51 110.33 -177.82 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 56.85 31.1 19.01 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 114.884 -1.053 . . . . 70.24 111.705 179.334 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 80.27 16.51 76.14 Favored Glycine 0 N--CA 1.45 -0.409 0 C-N-CA 120.624 -0.798 . . . . 72.5 112.343 -179.831 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' GLN . . . . . 0.444 ' HA ' ' NE2' ' A' ' 101' ' ' GLN . 13.0 mm-40 -122.16 120.89 35.55 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.201 0.524 . . . . 74.31 110.468 176.662 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . 0.585 ' HD3' ' CB ' ' A' ' 95' ' ' SER . 0.7 OUTLIER -90.74 107.48 19.21 Favored 'General case' 0 C--N 1.316 -0.885 0 CA-C-N 115.514 -0.767 . . . . 51.53 110.378 -177.76 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' TYR . . . . . 0.455 ' HB3' ' HB ' ' A' ' 120' ' ' THR . 74.1 m-85 -96.1 133.47 40.32 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.445 -0.798 . . . . 72.11 109.701 -179.931 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.457 HD11 HG22 ' A' ' 93' ' ' THR . 12.2 tp -103.88 143.88 32.26 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 116.288 -0.415 . . . . 43.05 111.229 -176.619 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . 0.495 ' HA3' ' N ' ' A' ' 117' ' ' ALA . . . -140.29 130.1 4.48 Favored Glycine 0 N--CA 1.445 -0.72 0 N-CA-C 111.195 -0.762 . . . . 75.43 111.195 175.658 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . 0.507 ' HB3' HD11 ' A' ' 91' ' ' LEU . 23.0 mt-30 -119.29 117.01 27.43 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 120.945 0.402 . . . . 75.04 110.321 -176.285 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -134.11 -172.41 12.85 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 121.041 -0.6 . . . . 64.52 111.999 -175.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . 0.505 ' HA ' ' O ' ' A' ' 90' ' ' PRO . 10.8 mmt180 -89.14 -3.73 58.52 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.098 0.475 . . . . 70.5 110.821 -175.552 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 44.2 m -160.46 169.3 23.3 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 109.089 -0.708 . . . . 72.14 109.089 -176.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 93.7 mttt -57.06 -44.11 82.71 Favored 'General case' 0 N--CA 1.463 0.181 0 CA-C-O 121.194 0.521 . . . . 65.11 109.855 178.539 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 13.3 tmtt? -62.89 -48.12 80.36 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.053 -0.976 . . . . 55.25 110.321 -177.657 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . 0.611 ' O ' ' HG2' ' A' ' 116' ' ' GLU . 32.1 t -62.62 -50.62 79.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 116.014 -0.539 . . . . 73.23 110.617 179.453 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -62.0 -39.45 92.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.086 -0.506 . . . . 60.5 111.601 -176.621 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 114' ' ' ARG . . . . . 0.456 ' HG3' ' CD2' ' A' ' 78' ' ' TYR . 14.6 ttm180 -62.24 -41.94 98.88 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.076 -0.511 . . . . 73.03 110.335 179.435 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 68.5 mt -62.14 -49.43 84.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 115.835 -0.621 . . . . 72.54 110.781 174.68 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . 0.611 ' HG2' ' O ' ' A' ' 112' ' ' VAL . 55.7 mm-40 -57.85 -37.49 73.96 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.603 -0.271 . . . . 64.22 111.446 179.568 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . 0.549 ' HB1' HG12 ' A' ' 96' ' ' VAL . . . -63.51 -49.53 73.17 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.089 0.471 . . . . 64.14 110.9 177.179 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . 0.478 ' O ' ' HG ' ' A' ' 122' ' ' LEU . . . -65.56 -31.7 72.89 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.665 -0.698 . . . . 73.53 111.152 -179.415 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -61.72 -43.14 99.42 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.202 -0.454 . . . . 70.13 110.499 178.21 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 120' ' ' THR . . . . . 0.455 ' HB ' ' HB3' ' A' ' 103' ' ' TYR . 24.7 m -60.22 -39.83 88.05 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.929 -0.578 . . . . 75.04 110.416 176.863 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -63.31 -50.36 70.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.942 -0.572 . . . . 74.03 110.722 178.21 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . 0.478 ' HG ' ' O ' ' A' ' 118' ' ' ALA . 47.7 mt -57.86 -49.75 75.64 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.145 -0.48 . . . . 62.14 111.19 -177.909 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 13.8 ptm180 -70.18 -13.93 62.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.315 -0.402 . . . . 65.14 111.124 -175.336 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 3.1 t -85.66 -26.22 26.12 Favored 'General case' 0 N--CA 1.449 -0.499 0 N-CA-C 109.566 -0.531 . . . . 64.34 109.566 177.679 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 125' ' ' PHE . . . . . 0.406 ' HB2' HD13 ' A' ' 126' ' ' ILE . 25.2 m-85 -80.32 -57.08 3.77 Favored 'General case' 0 CA--C 1.52 -0.175 0 CA-C-O 121.233 0.54 . . . . 61.12 110.201 177.895 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 126' ' ' ILE . . . . . 0.413 HD13 ' H ' ' A' ' 126' ' ' ILE . 0.2 OUTLIER -133.23 147.03 31.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 115.526 -0.761 . . . . 73.43 111.324 -174.839 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 15.4 mm-40 -153.24 128.01 9.5 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.453 -0.794 . . . . 54.41 109.996 174.215 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 34.3 m-85 -88.38 -15.14 36.36 Favored 'General case' 0 C--N 1.319 -0.734 0 N-CA-C 108.647 -0.871 . . . . 73.23 108.647 177.7 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 51.2 mttp -109.52 -165.77 1.04 Allowed 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 114.513 -1.221 . . . . 65.32 108.952 173.507 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 -74.97 -33.75 61.92 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 121.383 0.611 . . . . 71.21 109.574 176.101 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 77.31 15.31 81.63 Favored Glycine 0 N--CA 1.446 -0.648 0 CA-C-N 115.387 -0.824 . . . . 64.01 111.518 -178.924 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -107.27 138.27 43.76 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 120.823 0.344 . . . . 63.13 110.419 -178.014 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 47.6 t -108.09 107.81 23.72 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.716 0 CA-C-N 116.091 -0.504 . . . . 61.44 109.999 178.754 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 42.3 tp -83.29 79.97 9.23 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.53 0.681 . . . . 73.45 110.101 -179.467 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 50.0 m -154.68 140.77 12.81 Favored Pre-proline 0 C--N 1.319 -0.727 0 CA-C-N 115.267 -0.878 . . . . 72.14 109.058 178.031 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 136' ' ' PRO . . . . . . . . . . . . . 32.9 Cg_exo -61.08 105.58 0.34 Allowed 'Trans proline' 0 C--O 1.234 0.296 0 C-N-CA 122.503 2.136 . . . . 72.03 111.483 177.197 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 91.8 mt -102.42 161.98 13.28 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 116.034 -0.53 . . . . 60.32 110.181 -177.855 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 138' ' ' LYS . . . . . 0.412 ' HD3' ' N ' ' A' ' 138' ' ' LYS . 0.0 OUTLIER -103.2 142.74 25.19 Favored Pre-proline 0 C--N 1.318 -0.785 0 CA-C-N 116.14 -0.482 . . . . 54.3 109.82 -178.582 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 85.2 Cg_endo -82.25 -173.51 1.77 Allowed 'Trans proline' 0 N--CA 1.459 -0.543 0 C-N-CA 122.38 2.053 . . . . 71.21 112.037 179.773 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.229 0 CA-C-O 118.601 -0.714 . . . . 61.31 109.801 177.006 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 49.3 m . . . . . 0 N--CA 1.478 0.933 0 CA-C-O 120.654 0.264 . . . . 63.54 110.638 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -174.05 102.46 0.29 Allowed Pre-proline 0 C--N 1.33 -0.249 0 CA-C-N 116.216 -0.447 . . . . 74.1 110.785 178.069 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 19.3 Cg_endo -90.92 119.85 0.66 Allowed 'Trans proline' 0 N--CA 1.455 -0.791 0 C-N-CA 123.368 2.712 . . . . 73.13 112.252 178.86 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 29.3 mmtp -122.34 147.27 46.47 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.33 -0.396 . . . . 71.34 110.519 -179.234 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.489 ' HB3' ' HB3' ' A' ' 55' ' ' CYS . 46.2 mtmt -86.54 85.56 7.31 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 109.664 -0.495 . . . . 72.0 109.664 177.012 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.553 ' HD2' ' O ' ' A' ' 53' ' ' LYS . 1.0 OUTLIER -76.8 125.98 30.2 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.146 -0.479 . . . . 64.4 110.468 -179.805 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' MET . . . . . 0.549 ' CE ' ' HA ' ' A' ' 54' ' ' MET . 1.2 tpt 69.88 -27.62 0.16 Allowed 'General case' 0 N--CA 1.47 0.549 0 C-N-CA 123.643 0.777 . . . . 73.31 111.497 -176.702 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . 0.489 ' HB3' ' HB3' ' A' ' 52' ' ' LYS . 49.6 t -81.73 52.84 2.0 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.55 0.69 . . . . 74.42 109.698 176.799 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 45.5 mtpt -109.99 99.71 8.77 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.446 -0.797 . . . . 75.13 109.934 -178.769 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.495 ' CD ' ' H ' ' A' ' 57' ' ' GLU . 5.8 pm0 -55.2 -43.04 74.07 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.486 -0.779 . . . . 75.53 110.938 179.018 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.424 ' O ' ' HD3' ' A' ' 60' ' ' PRO . 48.9 ttp180 54.91 84.39 0.07 Allowed 'General case' 0 C--O 1.233 0.214 0 O-C-N 123.803 0.69 . . . . 75.22 111.385 175.837 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.6 HG21 ' HB2' ' A' ' 67' ' ' ALA . 61.3 mt -114.34 92.58 28.2 Favored Pre-proline 0 C--N 1.323 -0.579 0 CA-C-O 120.78 0.324 . . . . 75.21 110.607 178.165 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . 0.424 ' HD3' ' O ' ' A' ' 58' ' ' ARG . 4.9 Cg_exo -79.07 134.15 11.48 Favored 'Trans proline' 0 N--CA 1.46 -0.492 0 C-N-CA 123.085 2.523 . . . . 73.44 111.3 174.205 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 15.6 mm-40 60.45 76.67 0.41 Allowed Pre-proline 0 N--CA 1.464 0.241 0 O-C-N 123.665 0.603 . . . . 71.31 110.668 -177.726 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 8.0 Cg_exo -73.31 65.44 4.43 Favored 'Trans proline' 0 C--N 1.344 0.299 0 C-N-CA 123.37 2.713 . . . . 62.15 113.048 -175.26 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 60.9 mttp -93.85 8.18 42.14 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.361 0.601 . . . . 72.45 110.319 176.766 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 21.1 p-10 -107.65 140.57 40.47 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.6 -0.727 . . . . 74.54 110.197 176.164 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 40.5 p -63.39 -22.79 67.09 Favored 'General case' 0 C--N 1.316 -0.86 0 CA-C-N 114.901 -1.045 . . . . 52.03 111.446 -177.293 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.405 HG13 ' CE2' ' A' ' 78' ' ' TYR . 47.8 t -58.91 -40.67 80.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 115.524 -0.762 . . . . 70.21 110.689 177.495 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.6 ' HB2' HG21 ' A' ' 59' ' ' ILE . . . -70.96 -39.31 72.62 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.898 -0.592 . . . . 60.15 110.038 177.786 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' MET . . . . . 0.483 ' HB2' HD11 ' A' ' 122' ' ' LEU . 80.3 mmm -59.03 -44.12 91.72 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.383 -0.826 . . . . 75.31 110.718 178.214 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.773 ' HB3' HD13 ' A' ' 76' ' ' LEU . 0.9 OUTLIER -59.94 -37.98 81.09 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.811 -0.631 . . . . 72.54 111.086 -179.901 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . 0.447 ' ND2' HD11 ' A' ' 76' ' ' LEU . 20.5 m-80 -65.35 -26.43 68.02 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.937 0.399 . . . . 75.11 110.8 179.035 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 23.0 mt-10 -80.37 -24.09 40.01 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.213 -0.449 . . . . 73.23 110.747 178.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 76.2 mt -97.35 -51.79 4.04 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.362 -0.381 . . . . 74.21 111.857 -175.402 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -130.09 174.33 9.89 Favored 'General case' 0 N--CA 1.448 -0.557 0 CA-C-O 120.729 0.3 . . . . 62.32 110.829 -173.142 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 12.7 p-80 -127.93 166.71 17.8 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.129 -0.487 . . . . 73.14 110.178 176.047 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 75.51 28.65 61.12 Favored Glycine 0 N--CA 1.453 -0.171 0 C-N-CA 120.909 -0.663 . . . . 73.22 112.575 179.157 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.795 ' H ' HD23 ' A' ' 76' ' ' LEU . 0.7 OUTLIER -85.9 98.94 11.07 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.479 0.657 . . . . 74.12 111.106 -179.138 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.503 ' O ' ' HA ' ' A' ' 96' ' ' VAL . 3.6 mt -98.6 114.98 37.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-N 115.659 -0.701 . . . . 62.11 110.771 -179.642 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . 0.462 ' CD1' ' HG3' ' A' ' 114' ' ' ARG . 91.4 m-85 -93.79 120.67 34.36 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.609 -0.269 . . . . 54.14 110.42 177.379 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 17.3 ptpt -133.88 140.95 47.17 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-O 120.922 0.391 . . . . 74.24 110.582 178.639 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.468 HD22 ' HE2' ' A' ' 110' ' ' LYS . 47.0 tp -79.55 98.77 7.0 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 109.405 -0.591 . . . . 72.01 109.405 175.475 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -83.95 -24.88 30.47 Favored 'General case' 0 C--N 1.328 -0.369 0 C-N-CA 120.521 -0.472 . . . . 73.35 111.49 -175.663 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 70.6 m -157.83 144.35 17.74 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.871 0.367 . . . . 74.21 111.181 178.493 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 23.1 tm0? -132.64 111.5 11.24 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 108.989 -0.745 . . . . 71.35 108.989 173.079 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . 0.568 ' O ' ' HB3' ' A' ' 91' ' ' LEU . 4.7 p -144.66 129.22 18.05 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.191 -0.459 . . . . 51.22 110.948 -175.416 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 164.05 177.05 36.49 Favored Glycine 0 N--CA 1.448 -0.533 0 C-N-CA 120.583 -0.818 . . . . 74.43 112.168 178.502 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 46.3 Cg_endo -70.12 166.14 29.05 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.59 2.193 . . . . 61.42 112.144 178.319 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 13.6 p -75.98 -26.07 17.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-O 120.783 0.325 . . . . 63.33 111.436 -178.388 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 39.6 p-80 -79.84 -28.33 40.1 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-O 120.839 0.352 . . . . 73.34 111.051 -179.137 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -148.78 71.57 10.48 Favored Pre-proline 0 C--N 1.328 -0.365 0 CA-C-N 116.301 -0.409 . . . . 51.13 110.705 178.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . 0.475 ' O ' ' HA ' ' A' ' 108' ' ' ARG . 37.9 Cg_endo -67.41 143.92 65.49 Favored 'Trans proline' 0 N--CA 1.464 -0.258 0 C-N-CA 122.602 2.201 . . . . 52.32 112.056 -177.14 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.568 ' HB3' ' O ' ' A' ' 84' ' ' THR . 26.4 tp -106.86 135.38 48.5 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.369 0.605 . . . . 75.22 110.651 179.625 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.49 ' O ' ' HA ' ' A' ' 106' ' ' GLN . 9.6 m-85 -113.85 142.01 46.62 Favored 'General case' 0 C--N 1.316 -0.879 0 CA-C-N 115.413 -0.812 . . . . 73.42 109.185 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . 0.431 HG22 HD11 ' A' ' 104' ' ' LEU . 11.5 m -121.11 101.97 8.01 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-O 121.001 0.429 . . . . 74.31 110.079 -178.264 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 0.487 HG21 ' HA ' ' A' ' 114' ' ' ARG . 7.4 mm -98.76 127.67 51.12 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.75 0 CA-C-N 115.467 -0.788 . . . . 75.05 109.81 -179.761 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . 0.566 ' HB2' ' HD3' ' A' ' 102' ' ' LYS . 5.0 p -106.65 131.88 53.28 Favored 'General case' 0 C--N 1.314 -0.953 0 CA-C-N 115.673 -0.694 . . . . 63.52 110.17 177.396 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.503 ' HA ' ' O ' ' A' ' 77' ' ' ILE . 7.2 p -127.15 123.34 62.01 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.793 0 CA-C-O 121.319 0.58 . . . . 61.03 110.026 175.515 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 16.7 tt0 -96.5 110.48 22.86 Favored 'General case' 0 C--N 1.314 -0.944 0 CA-C-N 115.909 -0.587 . . . . 71.02 109.707 -178.292 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . 0.42 ' HB ' ' CE2' ' A' ' 103' ' ' TYR . 39.6 t -120.68 124.93 73.45 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.841 0 CA-C-N 115.689 -0.687 . . . . 73.33 110.355 -175.533 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 14.8 t70 61.58 8.84 2.45 Favored 'General case' 0 N--CA 1.468 0.427 0 CA-C-N 115.439 -0.8 . . . . 71.21 111.291 -176.305 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 105.7 -13.55 46.34 Favored Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.93 -0.652 . . . . 40.21 111.769 -177.166 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' GLN . . . . . 0.525 ' HB3' ' CE2' ' A' ' 103' ' ' TYR . 11.9 tp60 -86.07 130.11 34.63 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 108.721 -0.844 . . . . 65.33 108.721 177.076 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . 0.566 ' HD3' ' HB2' ' A' ' 95' ' ' SER . 4.0 tmmm? -94.91 106.95 18.97 Favored 'General case' 0 C--N 1.318 -0.788 0 C-N-CA 120.09 -0.644 . . . . 61.44 110.046 -179.052 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' TYR . . . . . 0.525 ' CE2' ' HB3' ' A' ' 101' ' ' GLN . 89.4 m-85 -92.54 143.76 26.02 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 115.507 -0.769 . . . . 72.34 110.003 179.826 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.431 HD11 HG22 ' A' ' 93' ' ' THR . 12.5 tp -118.92 137.76 53.24 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 120.905 0.383 . . . . 72.25 110.731 -175.771 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . 0.458 ' HA3' ' N ' ' A' ' 117' ' ' ALA . . . -134.71 136.68 8.72 Favored Glycine 0 N--CA 1.443 -0.894 0 CA-C-N 115.743 -0.662 . . . . 52.43 111.48 178.253 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . 0.49 ' HA ' ' O ' ' A' ' 92' ' ' PHE . 29.4 mt-30 -124.99 133.28 53.06 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 110.313 -0.254 . . . . 71.23 110.313 -176.414 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -153.27 174.19 31.99 Favored Glycine 0 N--CA 1.446 -0.646 0 C-N-CA 120.952 -0.642 . . . . 73.54 111.729 -179.038 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . 0.475 ' HA ' ' O ' ' A' ' 90' ' ' PRO . 30.0 mmt180 -80.73 8.84 7.19 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 117.03 0.415 . . . . 75.35 111.8 -177.361 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 42.8 m -162.71 165.93 25.01 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 108.972 -0.751 . . . . 73.33 108.972 179.82 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . 0.468 ' HE2' HD22 ' A' ' 80' ' ' LEU . 97.8 mttt -58.22 -42.63 86.7 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 121.035 0.445 . . . . 53.12 110.168 176.878 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 51.3 tttt -58.23 -53.87 53.39 Favored 'General case' 0 N--CA 1.452 -0.332 0 CA-C-N 115.225 -0.898 . . . . 74.25 110.721 -179.384 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . 0.585 ' O ' ' HG2' ' A' ' 116' ' ' GLU . 22.0 t -59.43 -52.32 62.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 115.481 -0.781 . . . . 70.11 110.265 -178.243 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -58.2 -37.44 74.8 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.036 -0.529 . . . . 63.43 111.405 -177.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 114' ' ' ARG . . . . . 0.487 ' HA ' HG21 ' A' ' 94' ' ' ILE . 43.3 ttm180 -65.87 -46.17 79.41 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.074 -0.512 . . . . 71.24 110.649 179.057 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 63.2 mt -63.46 -45.12 98.76 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 116.029 -0.532 . . . . 75.35 111.004 176.411 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . 0.585 ' HG2' ' O ' ' A' ' 112' ' ' VAL . 49.9 mm-40 -61.58 -38.67 88.38 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 120.651 0.263 . . . . 61.42 110.821 177.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . 0.458 ' N ' ' HA3' ' A' ' 105' ' ' GLY . . . -61.33 -47.8 84.24 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-O 121.024 0.44 . . . . 72.11 110.585 176.928 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . 0.491 ' O ' ' HG ' ' A' ' 122' ' ' LEU . . . -63.6 -35.9 82.05 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.85 -0.614 . . . . 60.21 110.566 177.761 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -64.36 -35.97 82.6 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.828 -0.624 . . . . 62.23 110.59 178.008 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 120' ' ' THR . . . . . 0.529 ' HA ' ' NE ' ' A' ' 123' ' ' ARG . 50.5 m -63.6 -41.34 98.33 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.125 0.488 . . . . 72.42 110.277 176.355 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -64.59 -48.44 74.94 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.977 -0.556 . . . . 62.24 110.457 177.653 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . 0.574 ' O ' HD13 ' A' ' 126' ' ' ILE . 48.3 mt -55.54 -52.57 63.25 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.402 -0.363 . . . . 63.15 110.827 179.186 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 123' ' ' ARG . . . . . 0.529 ' NE ' ' HA ' ' A' ' 120' ' ' THR . 14.3 ptp180 -65.11 -13.6 58.45 Favored 'General case' 0 CA--C 1.534 0.336 0 CA-C-N 115.974 -0.557 . . . . 74.42 111.217 -175.162 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 64.0 m -84.19 -27.46 28.01 Favored 'General case' 0 N--CA 1.439 -1.002 0 CA-C-N 116.409 -0.36 . . . . 60.24 111.385 174.881 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 23.3 m-85 -83.48 -49.07 9.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.304 -0.407 . . . . 65.31 111.153 -176.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 126' ' ' ILE . . . . . 0.574 HD13 ' O ' ' A' ' 122' ' ' LEU . 0.2 OUTLIER -117.81 -165.94 0.37 Allowed 'Isoleucine or valine' 0 N--CA 1.45 -0.425 0 N-CA-C 109.732 -0.47 . . . . 74.23 109.732 -179.108 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 127' ' ' GLN . . . . . 0.606 ' HG2' ' H ' ' A' ' 128' ' ' PHE . 7.5 tt0 -82.51 -171.9 3.74 Favored 'General case' 0 C--N 1.315 -0.899 0 CA-C-N 116.339 -0.391 . . . . 74.25 111.232 -174.613 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 128' ' ' PHE . . . . . 0.606 ' H ' ' HG2' ' A' ' 127' ' ' GLN . 66.6 m-85 64.65 78.03 0.3 Allowed 'General case' 0 N--CA 1.466 0.326 0 C-N-CA 122.767 0.427 . . . . 65.3 110.499 -177.227 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . 0.483 ' HG2' ' O ' ' A' ' 129' ' ' LYS . 0.4 OUTLIER -146.21 77.31 1.48 Allowed 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 112.84 0.681 . . . . 73.54 112.84 -174.442 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 66.27 -63.88 0.23 Allowed 'General case' 0 N--CA 1.474 0.749 0 CA-C-N 115.755 -0.657 . . . . 51.4 112.714 172.933 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 104.53 0.22 43.17 Favored Glycine 0 N--CA 1.446 -0.672 0 N-CA-C 111.336 -0.705 . . . . 64.04 111.336 -173.766 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -117.8 129.78 55.88 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.671 0.272 . . . . 64.53 110.615 -179.573 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 60.0 t -115.59 107.51 22.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-N 116.355 -0.384 . . . . 65.42 110.331 -179.196 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -85.87 97.45 10.21 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 109.766 -0.457 . . . . 74.43 109.766 -179.158 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 66.9 m -156.19 153.3 25.11 Favored Pre-proline 0 C--N 1.321 -0.661 0 CA-C-N 115.537 -0.756 . . . . 70.12 109.306 176.888 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 136' ' ' PRO . . . . . . . . . . . . . 17.1 Cg_exo -67.36 89.99 0.33 Allowed 'Trans proline' 0 C--N 1.343 0.268 0 C-N-CA 122.576 2.184 . . . . 73.21 112.044 177.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 3.8 pp -160.48 149.06 16.71 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.951 -0.568 . . . . 74.51 110.504 178.252 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 5.1 mptp? -102.81 153.54 38.15 Favored Pre-proline 0 C--N 1.322 -0.603 0 CA-C-N 115.879 -0.6 . . . . 75.32 110.371 178.225 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 29.9 Cg_endo -63.95 151.91 83.17 Favored 'Trans proline' 0 C--O 1.235 0.366 0 C-N-CA 122.615 2.21 . . . . 64.31 112.331 178.209 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.034 0 CA-C-O 118.61 -0.71 . . . . 65.22 110.209 -179.86 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 23.0 p . . . . . 0 N--CA 1.478 0.953 0 CA-C-O 120.968 0.413 . . . . 72.23 110.767 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 34.6 m-20 -108.18 106.64 59.01 Favored Pre-proline 0 C--N 1.327 -0.38 0 CA-C-N 116.437 -0.347 . . . . 71.33 110.388 179.395 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 21.4 Cg_exo -65.77 -52.84 0.86 Allowed 'Trans proline' 0 C--N 1.343 0.271 0 C-N-CA 122.896 2.397 . . . . 64.24 112.215 -179.601 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.416 ' HD3' ' HA ' ' A' ' 51' ' ' LYS . 31.6 mmtm -140.28 89.85 2.32 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.209 0.528 . . . . 73.22 111.823 -178.794 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 43.4 mttp -125.45 103.29 7.81 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.393 -0.821 . . . . 73.43 109.601 171.395 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 38.5 ttmt -76.68 118.91 19.78 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 108.937 -0.764 . . . . 65.01 108.937 175.418 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 25.7 ttt -63.87 103.93 0.63 Allowed 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.131 -0.486 . . . . 74.11 111.308 -175.477 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 24.5 p -98.65 126.39 44.24 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.824 -0.625 . . . . 32.32 109.814 177.007 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.422 ' HD2' ' HA ' ' A' ' 56' ' ' LYS . 27.1 mmmt -87.11 151.81 22.89 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.301 -0.409 . . . . 64.52 111.297 -177.098 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.555 ' CD ' ' H ' ' A' ' 57' ' ' GLU . 1.9 mp0 -52.16 -59.61 4.18 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.265 -0.879 . . . . 72.14 110.767 -179.836 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.509 ' HE ' ' HA ' ' A' ' 58' ' ' ARG . 1.5 tpm_? -100.0 132.34 45.42 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.742 -0.663 . . . . 72.31 110.183 179.781 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 48.1 mm -115.38 91.07 27.15 Favored Pre-proline 0 C--N 1.325 -0.468 0 CA-C-O 120.972 0.415 . . . . 75.51 110.049 176.539 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 91.5 Cg_endo -95.35 -158.77 0.05 OUTLIER 'Trans proline' 0 N--CA 1.452 -0.946 0 C-N-CA 123.233 2.622 . . . . 73.24 112.466 179.526 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 25.2 mp0 -71.59 165.94 44.26 Favored Pre-proline 0 C--N 1.323 -0.562 0 CA-C-N 115.93 -0.577 . . . . 73.34 110.995 -179.006 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 12.6 Cg_exo -70.24 65.85 2.07 Favored 'Trans proline' 0 C--N 1.353 0.781 0 C-N-CA 123.211 2.607 . . . . 61.41 113.078 -179.097 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.415 ' HD2' ' N ' ' A' ' 64' ' ' ASN . 0.3 OUTLIER -79.41 -11.73 59.91 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.893 -0.594 . . . . 73.22 110.706 175.267 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . 0.415 ' N ' ' HD2' ' A' ' 63' ' ' LYS . 13.9 p-10 -116.36 136.89 52.6 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.546 0.689 . . . . 71.11 110.328 178.622 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 39.4 p -59.91 -24.79 64.6 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 114.593 -1.185 . . . . 71.52 111.605 -177.209 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 46.8 t -56.43 -44.8 81.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 115.592 -0.731 . . . . 41.11 110.881 177.823 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -68.42 -40.04 81.37 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.153 -0.476 . . . . 62.14 110.095 178.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 75.4 mmm -57.94 -40.48 80.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.376 -0.829 . . . . 74.12 111.101 179.053 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.812 ' HB3' HD13 ' A' ' 76' ' ' LEU . 1.3 mt -62.57 -41.52 98.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.956 -0.565 . . . . 63.21 111.127 -179.757 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 41.9 m-80 -61.08 -26.81 67.91 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-N 116.319 -0.4 . . . . 75.34 110.661 179.226 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 16.0 mt-10 -82.05 -26.89 33.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 63.24 111.217 179.567 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 49.6 mt -85.28 -59.67 2.26 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 111.999 0.37 . . . . 64.13 111.999 -176.114 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . 0.646 ' HG2' ' HB2' ' A' ' 99' ' ' ASP . 26.4 tpt180 -142.02 122.79 14.33 Favored 'General case' 0 N--CA 1.447 -0.613 0 C-N-CA 121.058 -0.257 . . . . 71.4 110.939 -173.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 3.3 p-80 -71.6 157.34 38.15 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.628 -0.508 . . . . 51.2 109.628 174.437 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 88.65 41.52 6.01 Favored Glycine 0 N--CA 1.444 -0.785 0 C-N-CA 120.216 -0.992 . . . . 44.15 110.885 -175.897 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.812 HD13 ' HB3' ' A' ' 69' ' ' LEU . 1.0 OUTLIER -105.11 96.91 6.86 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.398 0.618 . . . . 70.23 109.944 178.092 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.534 ' O ' ' HA ' ' A' ' 96' ' ' VAL . 5.0 mp -99.16 107.27 20.26 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 CA-C-N 115.935 -0.575 . . . . 72.11 110.962 -176.826 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . 0.531 ' CD2' ' HB ' ' A' ' 96' ' ' VAL . 88.9 m-85 -85.92 127.02 34.51 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 109.582 -0.525 . . . . 63.04 109.582 175.652 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . 0.473 ' HG2' ' O ' ' A' ' 95' ' ' SER . 15.5 ptpt -134.53 132.79 39.58 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-O 120.917 0.389 . . . . 53.33 110.397 178.895 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.484 HD22 ' HE2' ' A' ' 110' ' ' LYS . 54.2 tp -78.18 99.48 6.23 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 109.158 -0.682 . . . . 73.01 109.158 175.725 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -87.33 -34.39 18.86 Favored 'General case' 0 C--N 1.321 -0.637 0 C-N-CA 120.584 -0.446 . . . . 73.2 111.257 -175.224 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . 0.52 ' HB2' ' HB ' ' A' ' 93' ' ' THR . 21.8 m -139.36 142.04 37.59 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.414 -0.357 . . . . 74.44 111.071 -175.318 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 20.3 tm0? -143.83 119.37 10.37 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 109.2 -0.667 . . . . 74.54 109.2 175.406 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 9.2 p -144.12 140.06 29.21 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.528 -0.305 . . . . 73.23 111.281 -177.535 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 133.86 172.82 13.0 Favored Glycine 0 N--CA 1.445 -0.726 0 C-N-CA 120.545 -0.836 . . . . 74.32 112.75 175.685 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 57.6 Cg_endo -69.73 176.75 6.33 Favored 'Trans proline' 0 C--O 1.223 -0.226 0 C-N-CA 123.28 2.653 . . . . 70.42 111.737 176.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 27.4 m -86.01 -20.86 7.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 C-N-CA 120.78 -0.368 . . . . 75.31 111.116 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 38.6 p-80 -78.45 -24.52 46.0 Favored 'General case' 0 C--N 1.331 -0.231 0 C-N-CA 120.846 -0.341 . . . . 74.21 110.259 177.704 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -155.4 77.36 4.84 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-N 116.149 -0.478 . . . . 62.24 110.623 177.237 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . 0.496 ' O ' ' HA ' ' A' ' 108' ' ' ARG . 10.4 Cg_endo -88.07 141.85 5.28 Favored 'Trans proline' 0 N--CA 1.453 -0.859 0 C-N-CA 122.877 2.385 . . . . 72.11 112.19 -179.14 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 26.9 tp -96.63 135.05 39.08 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-O 121.483 0.658 . . . . 72.11 110.182 176.383 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 30.9 m-85 -119.18 135.77 54.51 Favored 'General case' 0 C--N 1.314 -0.959 0 CA-C-N 115.205 -0.907 . . . . 72.42 109.018 178.876 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . 0.533 HG23 ' HG2' ' A' ' 106' ' ' GLN . 16.4 m -119.24 104.04 10.05 Favored 'General case' 0 C--N 1.315 -0.9 0 CA-C-N 116.252 -0.431 . . . . 55.5 110.177 -178.055 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 6.1 mm -101.06 128.73 52.98 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.817 0 CA-C-N 115.589 -0.732 . . . . 72.41 109.881 -179.1 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . 0.473 ' O ' ' HG2' ' A' ' 79' ' ' LYS . 1.4 p -110.5 121.75 46.07 Favored 'General case' 0 C--N 1.312 -1.026 0 N-CA-C 109.85 -0.426 . . . . 42.53 109.85 174.749 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.59 HG12 ' HB1' ' A' ' 117' ' ' ALA . 7.4 p -111.84 122.71 66.68 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.784 0 CA-C-O 121.42 0.629 . . . . 72.1 110.046 176.815 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . 0.483 ' HA ' ' HA ' ' A' ' 102' ' ' LYS . 12.4 tt0 -101.12 109.78 21.71 Favored 'General case' 0 C--N 1.311 -1.084 0 N-CA-C 109.122 -0.696 . . . . 75.41 109.122 178.86 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 15.0 t -115.28 122.77 69.94 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.731 0 CA-C-N 115.576 -0.738 . . . . 44.44 110.103 -175.394 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . 0.646 ' HB2' ' HG2' ' A' ' 73' ' ' ARG . 33.9 t70 60.74 8.52 1.82 Allowed 'General case' 0 N--CA 1.47 0.54 0 CA-C-N 115.703 -0.68 . . . . 72.55 111.904 -179.004 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 111.43 -9.53 28.52 Favored Glycine 0 N--CA 1.449 -0.441 0 C-N-CA 121.07 -0.586 . . . . 52.31 112.337 -177.814 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 6.2 mm-40 -96.95 124.26 40.88 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 110.37 -0.233 . . . . 73.31 110.37 177.464 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . 0.483 ' HA ' ' HA ' ' A' ' 97' ' ' GLU . 0.0 OUTLIER -95.04 116.32 28.55 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 121.038 0.447 . . . . 74.54 110.8 -177.546 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 54.1 m-85 -106.88 132.63 52.62 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.718 -0.673 . . . . 71.31 109.898 178.568 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.429 HD11 HG22 ' A' ' 93' ' ' THR . 13.6 tp -102.92 141.71 35.26 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 120.759 0.314 . . . . 62.22 110.801 -176.875 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -136.39 133.08 6.37 Favored Glycine 0 N--CA 1.447 -0.591 0 C-N-CA 121.039 -0.6 . . . . 31.34 111.679 177.373 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . 0.533 ' HG2' HG23 ' A' ' 93' ' ' THR . 32.7 mt-30 -124.4 122.86 38.82 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 120.919 0.39 . . . . 74.03 111.081 -176.561 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -143.57 177.05 22.61 Favored Glycine 0 N--CA 1.449 -0.451 0 N-CA-C 111.259 -0.736 . . . . 71.33 111.259 -178.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . 0.496 ' HA ' ' O ' ' A' ' 90' ' ' PRO . 20.7 mmt180 -86.77 12.1 11.65 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 117.473 0.637 . . . . 74.1 110.712 -177.188 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . 0.509 ' HB2' HG23 ' A' ' 112' ' ' VAL . 25.3 m -161.5 159.7 28.23 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 109.101 -0.703 . . . . 41.45 109.101 -179.476 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . 0.484 ' HE2' HD22 ' A' ' 80' ' ' LEU . 99.5 mttt -58.45 -43.84 88.96 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-O 121.098 0.475 . . . . 73.11 110.068 178.159 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 59.1 tttt -55.43 -52.4 63.73 Favored 'General case' 0 N--CA 1.453 -0.318 0 CA-C-N 115.119 -0.946 . . . . 63.33 110.952 178.127 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . 0.509 HG23 ' HB2' ' A' ' 109' ' ' SER . 31.3 t -61.98 -49.92 82.2 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 115.527 -0.76 . . . . 52.12 110.721 -177.69 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -58.94 -38.04 78.1 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.966 -0.561 . . . . 61.34 111.324 -178.327 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 61.2 ttt180 -65.59 -41.99 92.21 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.931 -0.577 . . . . 75.43 110.526 179.228 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 73.3 mt -63.95 -47.37 90.83 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.342 0 CA-C-N 116.049 -0.523 . . . . 74.0 111.147 175.39 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . 0.444 ' HG2' ' O ' ' A' ' 112' ' ' VAL . 5.8 mm-40 -59.43 -38.94 81.97 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.024 0.44 . . . . 64.34 111.257 179.402 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . 0.59 ' HB1' HG12 ' A' ' 96' ' ' VAL . . . -63.97 -47.23 81.2 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.034 -0.53 . . . . 63.14 110.384 177.246 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . 0.545 ' O ' ' HG ' ' A' ' 122' ' ' LEU . . . -66.39 -34.12 77.25 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.647 -0.706 . . . . 75.45 111.464 -179.393 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -61.36 -43.53 98.72 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 121.108 0.48 . . . . 41.42 110.298 178.531 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 120' ' ' THR . . . . . 0.456 ' O ' ' HG2' ' A' ' 123' ' ' ARG . 25.7 m -62.51 -38.78 91.28 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.411 -0.813 . . . . 74.14 110.361 177.373 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -61.45 -51.59 68.07 Favored 'General case' 0 N--CA 1.45 -0.437 0 CA-C-N 115.745 -0.661 . . . . 33.3 110.652 178.069 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . 0.545 ' HG ' ' O ' ' A' ' 118' ' ' ALA . 44.3 mt -54.86 -49.14 71.86 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.889 0.376 . . . . 62.34 111.025 -177.888 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 123' ' ' ARG . . . . . 0.456 ' HG2' ' O ' ' A' ' 120' ' ' THR . 3.8 ptm180 -68.63 -12.05 60.86 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.913 -0.585 . . . . 71.3 111.336 -175.718 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 25.2 t -88.79 -26.06 21.91 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.692 -0.231 . . . . 73.21 111.01 175.591 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 68.7 m-85 -82.6 -55.76 4.27 Favored 'General case' 0 CA--C 1.518 -0.288 0 CA-C-O 120.814 0.34 . . . . 65.24 110.811 -178.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 126' ' ' ILE . . . . . 0.526 HD13 ' H ' ' A' ' 126' ' ' ILE . 0.2 OUTLIER -118.71 132.6 68.1 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.545 0 CA-C-O 121.529 0.68 . . . . 74.54 110.529 -178.359 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 127' ' ' GLN . . . . . 0.529 HE21 ' N ' ' A' ' 127' ' ' GLN . 0.0 OUTLIER -131.63 -30.6 1.64 Allowed 'General case' 0 C--N 1.315 -0.921 0 CA-C-N 115.391 -0.822 . . . . 74.24 109.864 178.798 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 67.0 m-85 61.17 60.37 1.78 Allowed 'General case' 0 C--O 1.233 0.2 0 CA-C-N 115.478 -0.783 . . . . 75.02 110.209 -178.055 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . 0.409 ' HG3' ' N ' ' A' ' 130' ' ' ASP . 57.2 tptt -84.68 169.68 14.06 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 114.608 -1.178 . . . . 70.14 109.506 179.885 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 130' ' ' ASP . . . . . 0.409 ' N ' ' HG3' ' A' ' 129' ' ' LYS . 7.5 m-20 -58.7 -41.11 85.51 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.937 0.398 . . . . 70.33 110.649 178.182 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 89.54 -39.77 3.09 Favored Glycine 0 N--CA 1.45 -0.412 0 N-CA-C 111.315 -0.714 . . . . 74.01 111.315 179.636 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -78.11 131.53 37.3 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.389 -0.406 . . . . 64.52 110.208 176.222 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 9.8 m -115.17 123.41 70.75 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-O 121.001 0.429 . . . . 72.33 110.719 -179.335 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 42.7 tp -90.96 87.94 6.82 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.05 -0.523 . . . . 71.41 110.573 -178.173 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 10.5 p -169.02 142.28 2.28 Favored Pre-proline 0 C--N 1.323 -0.575 0 CA-C-N 115.388 -0.824 . . . . 64.14 109.697 179.101 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 136' ' ' PRO . . . . . . . . . . . . . 35.9 Cg_endo -66.19 90.31 0.26 Allowed 'Trans proline' 0 C--O 1.235 0.335 0 C-N-CA 122.483 2.122 . . . . 74.43 112.262 179.863 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 3.9 pp -133.36 168.31 18.83 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.973 -0.558 . . . . 74.01 110.611 -179.751 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 48.9 tptt -111.1 103.43 54.87 Favored Pre-proline 0 C--N 1.323 -0.558 0 N-CA-C 109.457 -0.572 . . . . 60.41 109.457 177.305 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 65.6 Cg_endo -74.95 137.03 21.3 Favored 'Trans proline' 0 C--O 1.236 0.399 0 C-N-CA 122.56 2.173 . . . . 74.41 112.987 -175.703 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.031 0 CA-C-O 118.551 -0.738 . . . . 54.43 109.594 174.377 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 33.1 m . . . . . 0 N--CA 1.477 0.895 0 N-CA-C 109.51 -0.552 . . . . 63.25 109.51 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -122.33 116.89 29.47 Favored Pre-proline 0 C--N 1.321 -0.646 0 CA-C-N 115.671 -0.695 . . . . 75.05 110.355 -174.36 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 21.3 Cg_exo -65.69 138.8 55.33 Favored 'Trans proline' 0 C--O 1.233 0.253 0 C-N-CA 122.772 2.315 . . . . 73.35 111.752 177.321 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 37.6 ttpt -90.39 141.62 28.55 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.923 0.392 . . . . 63.41 110.193 -179.574 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.729 ' HD3' ' H ' ' A' ' 52' ' ' LYS . 0.2 OUTLIER -120.71 145.99 46.92 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 116.094 -0.503 . . . . 73.33 109.862 -178.96 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 18.3 ptpt -79.31 137.12 37.22 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 109.505 -0.554 . . . . 73.32 109.505 175.3 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 53.5 ttp -84.2 75.68 10.17 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 121.304 0.573 . . . . 72.43 109.978 -179.19 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 69.9 m -118.88 84.06 2.13 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 115.326 -0.852 . . . . 74.14 109.031 174.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 37.3 ttpt -75.39 -27.55 59.12 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.363 -0.835 . . . . 72.35 110.05 -177.586 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -95.01 109.68 21.69 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.77 -0.65 . . . . 74.24 109.523 178.134 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 85.5 mtt180 -106.48 165.29 11.38 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 121.337 0.589 . . . . 65.34 111.588 -173.398 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 25.8 pt -92.8 160.06 34.87 Favored Pre-proline 0 C--N 1.323 -0.552 0 CA-C-N 115.29 -0.868 . . . . 53.43 111.16 -176.387 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 39.5 Cg_exo -58.46 162.09 13.07 Favored 'Trans proline' 0 C--N 1.348 0.505 0 C-N-CA 122.899 2.399 . . . . 64.31 111.756 175.059 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . 0.513 ' HA ' ' HD3' ' A' ' 62' ' ' PRO . 19.5 mm-40 -129.79 127.58 22.86 Favored Pre-proline 0 C--N 1.321 -0.657 0 N-CA-C 112.432 0.53 . . . . 72.1 112.432 -172.938 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . 0.513 ' HD3' ' HA ' ' A' ' 61' ' ' GLN . 4.8 Cg_exo -75.42 46.18 1.57 Allowed 'Trans proline' 0 C--O 1.234 0.296 0 C-N-CA 123.581 2.854 . . . . 75.5 111.276 173.707 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 79.1 mttt 58.93 92.68 0.04 OUTLIER 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.089 -0.96 . . . . 51.43 112.345 -177.226 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . 0.596 ' ND2' ' HB ' ' A' ' 66' ' ' VAL . 12.7 p-10 -77.35 147.7 36.0 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.097 -0.956 . . . . 54.25 110.263 175.865 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.525 ' HA ' ' HG3' ' A' ' 68' ' ' MET . 30.7 p -59.42 -27.38 65.99 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 115.176 -0.92 . . . . 60.52 111.009 -179.915 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.596 ' HB ' ' ND2' ' A' ' 64' ' ' ASN . 33.4 t -57.76 -39.21 69.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 115.262 -0.881 . . . . 71.13 110.557 176.105 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -69.5 -38.28 77.56 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.962 -0.563 . . . . 70.4 110.339 178.786 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' MET . . . . . 0.525 ' HG3' ' HA ' ' A' ' 65' ' ' THR . 15.7 mtp -65.36 -36.37 83.79 Favored 'General case' 0 CA--C 1.521 -0.154 0 CA-C-N 115.991 -0.55 . . . . 74.34 109.823 179.169 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.848 ' HB3' HD13 ' A' ' 76' ' ' LEU . 1.8 mt -62.78 -35.27 79.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.897 -0.592 . . . . 71.03 111.067 178.88 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 20.6 m-80 -69.92 -24.49 63.38 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.309 0.576 . . . . 73.53 110.232 179.384 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -82.49 -25.93 33.04 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.303 -0.862 . . . . 60.43 110.723 177.716 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 85.6 mt -90.2 -65.57 1.0 Allowed 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.304 -0.407 . . . . 71.13 111.637 -177.589 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . 0.634 ' HG2' ' HB2' ' A' ' 99' ' ' ASP . 10.7 tpt180 -143.1 117.5 9.66 Favored 'General case' 0 N--CA 1.449 -0.481 0 CA-C-O 120.498 0.19 . . . . 74.43 110.66 -172.587 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 4.8 p-80 -72.15 161.33 31.03 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 109.706 -0.479 . . . . 75.34 109.706 173.833 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . 0.447 ' O ' ' HA ' ' A' ' 98' ' ' VAL . . . 90.41 44.12 4.73 Favored Glycine 0 N--CA 1.438 -1.178 0 C-N-CA 120.0 -1.095 . . . . 71.31 110.474 -174.025 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.848 HD13 ' HB3' ' A' ' 69' ' ' LEU . 0.9 OUTLIER -110.1 94.57 5.08 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.424 0.63 . . . . 75.13 109.919 179.548 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.425 ' O ' ' HA ' ' A' ' 96' ' ' VAL . 5.0 mp -95.25 110.02 23.38 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.761 0 CA-C-N 116.006 -0.543 . . . . 55.32 110.731 -176.062 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . 0.51 ' CD1' ' HB ' ' A' ' 96' ' ' VAL . 86.9 m-85 -89.54 129.36 36.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.137 -0.483 . . . . 64.22 110.214 176.32 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 17.4 ptpt -139.74 143.68 37.11 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 116.386 -0.37 . . . . 45.33 110.23 175.758 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.519 HD22 ' HE2' ' A' ' 110' ' ' LYS . 40.4 tp -82.66 118.75 23.56 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 109.379 -0.6 . . . . 72.13 109.379 177.758 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . 0.402 ' OE1' ' HB3' ' A' ' 95' ' ' SER . 7.6 pt-20 -106.22 -30.44 9.2 Favored 'General case' 0 C--N 1.323 -0.549 0 C-N-CA 119.999 -0.68 . . . . 73.23 111.97 -178.767 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . 0.543 ' HB2' ' HB ' ' A' ' 93' ' ' THR . 50.5 m -139.72 146.1 39.17 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 120.735 0.303 . . . . 74.55 110.592 -179.918 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 22.0 tm0? -148.24 124.1 10.61 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 109.751 -0.463 . . . . 73.23 109.751 178.385 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 19.4 p -143.89 -168.16 2.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.262 -0.426 . . . . 51.34 110.529 -179.149 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 92.41 179.96 40.73 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.947 -0.644 . . . . 60.24 113.047 175.286 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -71.15 -163.48 0.13 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 123.515 2.81 . . . . 64.03 112.348 177.146 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 35.4 m -104.42 -23.98 4.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 C-N-CA 120.705 -0.398 . . . . 72.51 110.794 176.915 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 50.3 p-80 -83.38 -26.34 30.55 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.13 -0.486 . . . . 62.32 110.538 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -156.1 70.57 5.11 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 120.839 0.352 . . . . 73.25 110.655 179.24 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . 0.538 ' O ' ' HA ' ' A' ' 108' ' ' ARG . 3.2 Cg_exo -77.47 178.41 7.66 Favored 'Trans proline' 0 N--CA 1.457 -0.653 0 C-N-CA 122.732 2.288 . . . . 63.01 112.213 -176.727 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 19.2 tp -121.47 130.7 53.72 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 115.826 -0.625 . . . . 72.0 110.035 175.363 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.497 ' O ' ' HA ' ' A' ' 106' ' ' GLN . 25.4 m-85 -118.38 137.55 53.05 Favored 'General case' 0 C--N 1.31 -1.111 0 CA-C-N 115.274 -0.875 . . . . 73.2 109.186 -178.742 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . 0.543 ' HB ' ' HB2' ' A' ' 82' ' ' SER . 6.7 m -117.13 103.24 10.01 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-O 121.179 0.514 . . . . 45.45 110.149 -178.594 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 7.1 mm -98.87 127.63 51.29 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.857 0 CA-C-N 115.407 -0.815 . . . . 73.42 109.801 -178.343 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . 0.567 ' CB ' ' HD3' ' A' ' 102' ' ' LYS . 0.3 OUTLIER -101.97 120.18 39.98 Favored 'General case' 0 C--N 1.311 -1.096 0 CA-C-N 115.812 -0.631 . . . . 63.34 109.832 174.106 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.537 HG12 ' HB1' ' A' ' 117' ' ' ALA . 9.4 p -108.61 124.98 65.5 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.828 0 CA-C-O 121.361 0.6 . . . . 74.11 110.091 176.941 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 20.9 tt0 -101.3 110.73 22.78 Favored 'General case' 0 C--N 1.309 -1.175 0 CA-C-N 115.505 -0.771 . . . . 72.21 109.047 177.462 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . 0.447 ' HA ' ' O ' ' A' ' 75' ' ' GLY . 13.9 t -123.0 129.41 75.11 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 CA-C-N 115.898 -0.592 . . . . 62.31 109.999 -176.093 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . 0.634 ' HB2' ' HG2' ' A' ' 73' ' ' ARG . 28.4 t70 66.81 -11.61 0.25 Allowed 'General case' 0 N--CA 1.471 0.587 0 CA-C-O 121.36 0.6 . . . . 54.55 111.928 179.515 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . 0.441 ' H ' ' C ' ' A' ' 98' ' ' VAL . . . 119.19 3.42 13.08 Favored Glycine 0 N--CA 1.446 -0.672 0 N-CA-C 111.499 -0.64 . . . . 74.33 111.499 -173.802 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' GLN . . . . . 0.481 ' HA ' ' NE2' ' A' ' 101' ' ' GLN . 13.2 mm-40 -110.68 136.94 49.01 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.805 0.336 . . . . 74.51 110.702 176.023 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . 0.567 ' HD3' ' CB ' ' A' ' 95' ' ' SER . 1.8 tmmm? -102.22 117.55 35.01 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-O 121.185 0.517 . . . . 73.13 110.106 -176.148 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' TYR . . . . . 0.484 ' HB3' ' HB ' ' A' ' 120' ' ' THR . 48.8 m-85 -108.55 148.92 29.58 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 115.445 -0.798 . . . . 74.13 109.544 178.378 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.433 HD11 HG22 ' A' ' 93' ' ' THR . 13.3 tp -114.59 147.75 39.04 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 120.758 0.313 . . . . 54.54 110.73 -175.779 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . 0.455 ' HA3' ' N ' ' A' ' 117' ' ' ALA . . . -147.91 137.33 6.45 Favored Glycine 0 N--CA 1.445 -0.709 0 N-CA-C 111.533 -0.627 . . . . 75.23 111.533 176.864 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . 0.517 ' HG2' HG23 ' A' ' 93' ' ' THR . 21.7 mt-30 -121.74 122.78 40.32 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 120.805 0.336 . . . . 75.4 110.19 -177.867 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -136.9 177.86 19.38 Favored Glycine 0 N--CA 1.448 -0.554 0 C-N-CA 120.881 -0.676 . . . . 71.34 111.739 -177.011 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . 0.538 ' HA ' ' O ' ' A' ' 90' ' ' PRO . 5.9 mmt180 -83.76 3.02 35.16 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.243 0.544 . . . . 65.14 111.062 -176.441 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 70.8 m -163.56 164.38 24.25 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 108.672 -0.862 . . . . 64.43 108.672 -178.574 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . 0.519 ' HE2' HD22 ' A' ' 80' ' ' LEU . 84.5 mttt -58.96 -39.93 83.19 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 121.04 0.448 . . . . 74.14 110.113 179.296 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 52.7 tttp -62.18 -50.9 69.97 Favored 'General case' 0 N--CA 1.449 -0.476 0 CA-C-N 115.37 -0.832 . . . . 74.41 110.856 179.675 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 46.7 t -61.74 -47.1 94.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 115.86 -0.609 . . . . 64.45 111.11 179.498 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -63.67 -34.87 78.81 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.908 0.385 . . . . 63.5 111.122 -178.824 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 63.5 ttt180 -61.54 -41.55 97.52 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.893 -0.594 . . . . 75.51 109.614 176.471 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 115' ' ' ILE . . . . . 0.427 HG12 ' HB2' ' A' ' 64' ' ' ASN . 74.5 mt -65.08 -49.26 80.33 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.304 0 CA-C-N 115.474 -0.784 . . . . 74.25 111.067 174.693 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 47.4 mm-40 -55.41 -43.76 75.56 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.656 0.265 . . . . 71.12 111.485 179.022 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . 0.537 ' HB1' HG12 ' A' ' 96' ' ' VAL . . . -63.17 -43.21 98.88 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.13 0.491 . . . . 73.13 110.991 179.33 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . 0.572 ' O ' ' HG ' ' A' ' 122' ' ' LEU . . . -65.4 -32.61 74.33 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.632 -0.713 . . . . 72.41 111.002 -179.404 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -59.29 -42.48 91.41 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.263 -0.426 . . . . 73.45 110.955 178.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 120' ' ' THR . . . . . 0.484 ' HB ' ' HB3' ' A' ' 103' ' ' TYR . 19.4 m -65.18 -40.79 94.75 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.863 -0.608 . . . . 34.21 110.735 178.037 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -60.23 -51.42 69.65 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.14 -0.482 . . . . 53.14 110.42 177.781 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . 0.572 ' HG ' ' O ' ' A' ' 118' ' ' ALA . 52.4 mt -50.14 -53.06 30.21 Favored 'General case' 0 CA--C 1.521 -0.146 0 CA-C-N 115.718 -0.674 . . . . 75.33 111.391 -178.677 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 13.7 ptm180 -68.13 -17.76 64.45 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.95 -0.568 . . . . 73.35 111.826 -173.733 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 24.7 t -75.24 -30.36 60.51 Favored 'General case' 0 C--N 1.325 -0.463 0 C-N-CA 120.728 -0.389 . . . . 75.32 110.168 176.462 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 70.8 m-85 -79.42 -56.71 4.12 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.071 -0.513 . . . . 73.3 111.175 -178.487 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 126' ' ' ILE . . . . . 0.57 HD13 ' H ' ' A' ' 126' ' ' ILE . 0.3 OUTLIER -111.71 131.5 62.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-O 121.301 0.572 . . . . 73.42 109.855 179.079 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 7.9 mm-40 -117.84 100.09 7.35 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 115.69 -0.687 . . . . 65.11 111.729 -176.302 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 9.8 p90 -106.12 -176.67 3.14 Favored 'General case' 0 C--N 1.314 -0.96 0 CA-C-N 115.061 -0.972 . . . . 75.34 108.584 173.492 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 81.3 tttt -91.68 82.37 5.26 Favored 'General case' 0 C--N 1.322 -0.618 0 C-N-CA 119.864 -0.734 . . . . 64.21 110.256 -179.098 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 13.3 p-10 -73.55 -36.93 65.7 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.304 -0.862 . . . . 63.11 109.72 178.693 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 62.27 27.42 69.17 Favored Glycine 0 N--CA 1.45 -0.43 0 CA-C-N 115.565 -0.743 . . . . 30.22 112.53 176.201 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -84.19 160.63 20.79 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.924 0.392 . . . . 73.34 110.695 -179.24 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 57.7 t -81.73 112.55 19.77 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.747 0 CA-C-N 115.907 -0.588 . . . . 65.34 109.781 177.23 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 1.2 tt -63.29 101.82 0.34 Allowed 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 109.033 -0.729 . . . . 73.31 109.033 176.271 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 135' ' ' SER . . . . . 0.429 ' HA ' ' HD3' ' A' ' 136' ' ' PRO . 20.0 m -56.34 138.01 75.01 Favored Pre-proline 0 C--N 1.324 -0.533 0 CA-C-N 115.803 -0.635 . . . . 71.33 111.42 -176.18 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 136' ' ' PRO . . . . . 0.429 ' HD3' ' HA ' ' A' ' 135' ' ' SER . 12.6 Cg_exo -71.7 46.14 0.78 Allowed 'Trans proline' 0 C--N 1.346 0.409 0 C-N-CA 123.738 2.959 . . . . 75.14 112.934 -177.769 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 2.8 pp -99.16 161.54 13.57 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 109.7 -0.482 . . . . 64.33 109.7 175.414 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 17.2 pttp -132.23 154.2 81.55 Favored Pre-proline 0 C--N 1.318 -0.793 0 N-CA-C 109.997 -0.371 . . . . 64.1 109.997 -178.486 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -73.71 -176.37 2.53 Favored 'Trans proline' 0 N--CA 1.459 -0.51 0 C-N-CA 122.492 2.128 . . . . 74.41 111.301 176.384 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.931 0 CA-C-O 118.219 -0.895 . . . . 38.14 110.277 179.615 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 12.1 m . . . . . 0 N--CA 1.478 0.971 0 CA-C-O 121.131 0.491 . . . . 63.33 109.711 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.453 ' HA ' ' HD3' ' A' ' 50' ' ' PRO . 4.6 p-10 -162.28 143.95 8.23 Favored Pre-proline 0 C--N 1.325 -0.496 0 CA-C-N 115.673 -0.694 . . . . 71.31 111.056 -165.623 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.453 ' HD3' ' HA ' ' A' ' 49' ' ' ASP . 16.8 Cg_exo -69.05 117.87 5.32 Favored 'Trans proline' 0 N--CA 1.462 -0.354 0 C-N-CA 122.7 2.267 . . . . 71.25 110.938 172.161 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -62.7 113.92 3.29 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.993 -0.549 . . . . 75.41 110.115 -176.039 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 32.4 tptt -77.67 160.86 28.2 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 109.131 -0.692 . . . . 72.42 109.131 -179.61 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 18.7 ptpt -57.6 140.73 50.26 Favored 'General case' 0 C--O 1.235 0.313 0 CA-C-O 121.269 0.557 . . . . 71.11 111.069 -177.442 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 43.7 ttp -63.84 -53.86 43.99 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.211 -0.904 . . . . 73.24 112.209 -174.566 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 42.2 t -88.95 122.02 31.89 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.329 0.585 . . . . 54.11 112.121 -169.874 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 66.0 mmtt -112.01 147.56 35.7 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.204 -0.907 . . . . 70.21 108.596 170.311 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -71.25 151.51 44.2 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 121.064 0.459 . . . . 62.32 111.506 -174.844 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 38.3 ttm105 -93.63 -56.14 3.01 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.713 -0.676 . . . . 74.12 109.961 177.395 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.454 HD12 ' NZ ' ' A' ' 111' ' ' LYS . 54.6 mt 64.61 101.88 0.04 OUTLIER Pre-proline 0 CA--C 1.533 0.295 0 CA-C-N 115.41 -0.814 . . . . 63.54 111.343 179.781 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . 0.453 ' HD3' ' HA ' ' A' ' 59' ' ' ILE . 3.0 Cg_exo -82.06 45.04 1.84 Allowed 'Trans proline' 0 N--CA 1.463 -0.319 0 C-N-CA 123.472 2.781 . . . . 75.55 112.607 -178.65 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 16.1 mm100 -96.59 145.78 30.18 Favored Pre-proline 0 C--N 1.325 -0.476 0 CA-C-N 116.449 -0.341 . . . . 73.13 110.275 178.008 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 43.2 Cg_endo -68.33 -0.16 5.41 Favored 'Trans proline' 0 C--N 1.344 0.307 0 C-N-CA 122.894 2.396 . . . . 73.14 112.736 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 40.7 ttmt -74.03 -36.59 64.44 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.291 -0.413 . . . . 71.3 110.445 177.212 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . 0.608 HD22 HG22 ' A' ' 66' ' ' VAL . 3.1 p-10 -103.27 139.26 38.94 Favored 'General case' 0 C--O 1.239 0.537 0 CA-C-O 122.379 1.085 . . . . 65.15 111.5 -177.582 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.42 HG22 HD12 ' A' ' 122' ' ' LEU . 19.6 p -62.09 -22.17 65.57 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 113.871 -1.513 . . . . 64.45 113.269 -170.372 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.608 HG22 HD22 ' A' ' 64' ' ' ASN . 1.1 m -67.28 -31.48 53.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 121.004 0.43 . . . . 74.13 110.338 -176.717 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -75.32 -40.38 58.47 Favored 'General case' 0 N--CA 1.452 -0.362 0 N-CA-C 109.061 -0.718 . . . . 73.43 109.061 175.584 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' MET . . . . . 0.4 ' HB2' HD11 ' A' ' 122' ' ' LEU . 81.3 mmm -56.65 -45.43 81.62 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 114.969 -1.014 . . . . 74.23 110.864 176.57 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.756 ' HB3' HD13 ' A' ' 76' ' ' LEU . 0.7 OUTLIER -61.4 -36.61 80.76 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.13 -0.486 . . . . 73.14 111.601 179.697 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . 0.451 ' ND2' HD11 ' A' ' 76' ' ' LEU . 10.7 m-80 -66.1 -25.54 67.05 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-O 120.93 0.395 . . . . 63.43 110.52 -178.392 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -81.76 -26.51 34.43 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.605 -0.725 . . . . 74.52 110.998 178.841 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 59.2 mt -89.59 -58.19 2.61 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 112.098 0.407 . . . . 71.51 112.098 -176.393 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . 0.654 ' HG3' ' CZ ' ' A' ' 125' ' ' PHE . 2.6 mmp_? -135.4 167.77 20.44 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.122 0.487 . . . . 74.42 111.686 -174.003 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 1.8 p-80 -115.75 169.52 9.15 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.537 -0.756 . . . . 75.55 110.087 177.53 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 74.58 21.81 78.18 Favored Glycine 0 N--CA 1.446 -0.685 0 C-N-CA 120.55 -0.833 . . . . 75.42 111.939 -176.844 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.877 ' H ' HD23 ' A' ' 76' ' ' LEU . 1.1 pt? -76.88 79.69 3.45 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.597 0.713 . . . . 72.41 110.081 178.697 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.428 ' O ' ' HA ' ' A' ' 96' ' ' VAL . 3.7 mt -82.46 106.52 13.43 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.7 0 CA-C-N 115.391 -0.822 . . . . 72.4 110.814 -176.269 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 93.2 m-85 -84.84 109.82 18.38 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 109.503 -0.555 . . . . 73.4 109.503 174.262 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . 0.507 ' HG2' ' O ' ' A' ' 95' ' ' SER . 17.1 ptpt -121.07 124.44 44.8 Favored 'General case' 0 C--N 1.315 -0.915 0 CA-C-N 115.743 -0.662 . . . . 74.21 109.905 -177.005 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 44.9 tp -73.78 111.68 9.16 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 108.717 -0.845 . . . . 60.3 108.717 177.768 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -93.31 -29.26 15.74 Favored 'General case' 0 C--N 1.323 -0.555 0 C-N-CA 120.154 -0.618 . . . . 62.45 111.691 -176.027 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 47.0 m -156.77 151.98 26.39 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.555 -0.293 . . . . 71.52 110.56 179.385 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 24.3 tm0? -151.6 116.96 5.32 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.261 -0.427 . . . . 74.22 109.872 177.209 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 2.3 p -152.98 164.65 37.56 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.139 -0.482 . . . . 72.31 110.258 179.577 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 137.38 -173.95 22.0 Favored Glycine 0 N--CA 1.448 -0.53 0 C-N-CA 120.813 -0.708 . . . . 61.55 112.2 177.865 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 65.5 Cg_endo -72.04 173.8 12.31 Favored 'Trans proline' 0 C--N 1.344 0.296 0 C-N-CA 123.073 2.515 . . . . 71.34 111.432 177.588 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 9.5 p -87.49 -27.25 5.72 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 C-N-CA 120.517 -0.473 . . . . 73.11 110.601 -179.794 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 34.5 p-80 -72.55 -27.33 62.16 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.893 0.378 . . . . 74.22 110.405 179.549 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -156.57 73.25 4.83 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-N 116.112 -0.495 . . . . 74.24 110.755 179.128 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . 0.402 ' HG2' ' HE1' ' A' ' 92' ' ' PHE . 37.4 Cg_endo -70.55 146.04 54.24 Favored 'Trans proline' 0 N--CA 1.461 -0.424 0 C-N-CA 122.277 1.984 . . . . 74.44 111.856 179.435 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 15.3 tp -98.8 133.08 43.61 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-O 121.456 0.646 . . . . 54.42 110.397 179.633 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.558 ' O ' ' HA ' ' A' ' 106' ' ' GLN . 18.4 m-85 -114.77 132.99 56.27 Favored 'General case' 0 C--N 1.312 -1.025 0 CA-C-N 115.048 -0.978 . . . . 71.21 108.781 178.066 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . 0.548 HG23 ' HG2' ' A' ' 106' ' ' GLN . 11.8 m -113.38 98.69 7.25 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-O 121.218 0.532 . . . . 64.52 110.219 -177.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 0.505 HG21 ' HA ' ' A' ' 114' ' ' ARG . 4.8 mm -97.27 128.82 48.16 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.76 0 CA-C-N 115.382 -0.827 . . . . 74.42 110.037 -179.357 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . 0.531 ' HB2' ' HD3' ' A' ' 102' ' ' LYS . 3.9 p -109.05 120.16 41.72 Favored 'General case' 0 C--N 1.308 -1.218 0 CA-C-N 115.517 -0.765 . . . . 65.52 109.642 175.668 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.571 HG12 ' HB1' ' A' ' 117' ' ' ALA . 14.4 p -103.23 126.42 57.58 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.777 0 C-N-CA 120.166 -0.613 . . . . 74.11 109.355 175.472 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 13.9 tt0 -107.05 107.68 18.79 Favored 'General case' 0 C--N 1.31 -1.145 0 N-CA-C 109.437 -0.579 . . . . 62.44 109.437 -179.1 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . 0.455 HG22 ' HA ' ' A' ' 76' ' ' LEU . 26.1 t -121.7 124.94 72.67 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.875 0 CA-C-N 115.846 -0.616 . . . . 55.2 110.225 -174.418 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 4.1 t70 56.77 20.98 5.55 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.756 -0.656 . . . . 71.01 110.992 -177.488 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 97.85 -9.65 63.98 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.813 -0.708 . . . . 64.43 112.416 -179.064 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' GLN . . . . . 0.455 ' HA ' ' NE2' ' A' ' 101' ' ' GLN . 16.2 mm-40 -95.0 129.83 41.91 Favored 'General case' 0 CA--C 1.511 -0.548 0 CA-C-O 121.011 0.434 . . . . 52.41 110.756 -179.874 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . 0.531 ' HD3' ' HB2' ' A' ' 95' ' ' SER . 2.8 tmmm? -99.92 117.19 33.7 Favored 'General case' 0 C--N 1.316 -0.857 0 CA-C-N 115.9 -0.591 . . . . 74.12 110.164 -176.922 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' TYR . . . . . 0.562 ' HB3' ' HB ' ' A' ' 120' ' ' THR . 32.4 m-85 -108.39 134.62 50.95 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 108.878 -0.786 . . . . 73.2 108.878 178.792 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.485 HD11 HG22 ' A' ' 93' ' ' THR . 13.1 tp -107.41 139.33 42.06 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 121.057 0.456 . . . . 62.34 111.728 -173.5 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . 0.417 ' HA3' ' HB2' ' A' ' 116' ' ' GLU . . . -134.93 140.61 11.87 Favored Glycine 0 N--CA 1.445 -0.744 0 N-CA-C 110.99 -0.844 . . . . 74.43 110.99 175.743 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . 0.558 ' HA ' ' O ' ' A' ' 92' ' ' PHE . 30.0 mt-30 -131.1 100.77 5.33 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 121.005 0.431 . . . . 74.24 110.72 -175.137 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -117.03 -178.48 17.79 Favored Glycine 0 N--CA 1.442 -0.914 0 C-N-CA 120.671 -0.776 . . . . 64.24 112.173 -170.864 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 38.2 mmt-85 -87.14 2.53 49.55 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.5 0.667 . . . . 64.43 109.682 -179.71 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 58.8 m -162.66 162.77 27.12 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.308 -0.86 . . . . 75.31 109.083 -178.678 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 99.8 mttt -56.2 -39.95 73.23 Favored 'General case' 0 C--N 1.33 -0.272 0 O-C-N 123.324 0.39 . . . . 72.23 110.728 179.236 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . 0.454 ' NZ ' HD12 ' A' ' 59' ' ' ILE . 79.4 tttt -64.54 -50.99 65.15 Favored 'General case' 0 N--CA 1.453 -0.32 0 CA-C-N 116.273 -0.421 . . . . 71.12 111.139 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 61.1 t -58.64 -46.29 90.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.291 -0.413 . . . . 75.32 110.873 179.872 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -61.77 -37.63 85.04 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.046 0.451 . . . . 72.31 110.691 179.061 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 114' ' ' ARG . . . . . 0.505 ' HA ' HG21 ' A' ' 94' ' ' ILE . 20.7 ttm180 -62.63 -40.2 96.25 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.441 -0.8 . . . . 70.44 110.092 176.632 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 90.6 mt -66.89 -46.19 85.73 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.215 0 CA-C-N 116.041 -0.527 . . . . 63.53 111.27 177.396 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . 0.417 ' HB2' ' HA3' ' A' ' 105' ' ' GLY . 27.7 mt-10 -58.6 -42.99 89.38 Favored 'General case' 0 C--O 1.236 0.351 0 CA-C-O 121.097 0.475 . . . . 71.43 110.601 179.138 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . 0.571 ' HB1' HG12 ' A' ' 96' ' ' VAL . . . -62.18 -47.98 82.08 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.74 -0.664 . . . . 73.42 110.648 178.941 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . 0.515 ' O ' ' HG ' ' A' ' 122' ' ' LEU . . . -64.7 -35.46 81.13 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.933 -0.576 . . . . 72.0 111.444 -179.072 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -60.91 -34.76 75.17 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.14 0.495 . . . . 53.22 110.724 178.658 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 120' ' ' THR . . . . . 0.634 ' O ' ' HG2' ' A' ' 123' ' ' ARG . 21.3 m -74.41 -37.01 63.48 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.732 -0.667 . . . . 62.21 110.334 178.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -62.91 -45.17 93.77 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.204 -0.453 . . . . 74.01 110.341 176.583 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . 0.515 ' HG ' ' O ' ' A' ' 118' ' ' ALA . 36.2 mt -57.24 -49.95 74.43 Favored 'General case' 0 C--N 1.334 -0.105 0 CA-C-N 116.172 -0.467 . . . . 54.24 111.28 -179.916 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 123' ' ' ARG . . . . . 0.634 ' HG2' ' O ' ' A' ' 120' ' ' THR . 2.8 ptm180 -66.57 -14.4 62.31 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-N 116.114 -0.494 . . . . 73.41 111.048 -176.672 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 16.4 t -81.73 -29.12 33.03 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.324 -0.398 . . . . 63.04 110.352 175.767 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 125' ' ' PHE . . . . . 0.654 ' CZ ' ' HG3' ' A' ' 73' ' ' ARG . 43.0 m-85 -86.44 -58.53 2.58 Favored 'General case' 0 CA--C 1.518 -0.278 0 CA-C-O 121.01 0.433 . . . . 75.53 110.265 -179.468 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 126' ' ' ILE . . . . . 0.513 HD13 ' H ' ' A' ' 126' ' ' ILE . 0.2 OUTLIER -113.37 130.86 66.58 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 CA-C-O 121.352 0.596 . . . . 64.32 109.584 177.722 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -127.93 162.79 25.92 Favored 'General case' 0 C--N 1.311 -1.069 0 CA-C-N 115.646 -0.706 . . . . 71.1 110.226 -177.825 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 96.0 m-85 -133.59 130.71 38.75 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 116.179 -0.464 . . . . 73.44 110.288 179.347 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 94.8 mttt -118.59 -7.15 10.63 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.824 -0.625 . . . . 65.23 109.879 178.428 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -75.13 87.48 2.42 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.608 -0.724 . . . . 74.41 110.44 178.733 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 66.15 26.16 72.41 Favored Glycine 0 N--CA 1.45 -0.422 0 CA-C-N 115.377 -0.829 . . . . 65.34 112.076 179.262 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -124.98 145.9 49.66 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 120.774 0.321 . . . . 75.3 110.619 -176.771 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 18.8 m -114.99 151.01 16.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-N 116.159 -0.473 . . . . 61.23 110.728 179.504 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -103.76 36.79 2.21 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 115.848 -0.615 . . . . 53.03 110.127 -178.168 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 135' ' ' SER . . . . . 0.465 ' HA ' ' HD3' ' A' ' 136' ' ' PRO . 21.4 m -68.1 136.24 91.7 Favored Pre-proline 0 C--N 1.319 -0.742 0 CA-C-N 115.544 -0.753 . . . . 75.34 110.677 177.79 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 136' ' ' PRO . . . . . 0.465 ' HD3' ' HA ' ' A' ' 135' ' ' SER . 13.8 Cg_exo -69.01 79.28 0.72 Allowed 'Trans proline' 0 C--O 1.235 0.357 0 C-N-CA 122.679 2.253 . . . . 75.31 111.611 175.841 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 96.3 mt -125.12 128.14 47.96 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.872 -0.604 . . . . 74.13 109.868 179.901 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 138' ' ' LYS . . . . . 0.438 ' HA ' ' HD3' ' A' ' 139' ' ' PRO . 94.4 mttt -105.47 156.18 36.78 Favored Pre-proline 0 C--N 1.319 -0.717 0 CA-C-N 115.862 -0.608 . . . . 64.03 110.96 -173.435 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 139' ' ' PRO . . . . . 0.438 ' HD3' ' HA ' ' A' ' 138' ' ' LYS . 3.7 Cg_exo -79.65 52.16 4.18 Favored 'Trans proline' 0 C--N 1.344 0.323 0 C-N-CA 123.314 2.676 . . . . 41.05 112.038 -178.618 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.935 0 CA-C-O 118.642 -0.694 . . . . 63.53 110.741 -178.906 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 38.8 m . . . . . 0 N--CA 1.477 0.905 0 CA-C-O 121.046 0.451 . . . . 43.41 110.554 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -163.35 89.43 1.22 Allowed Pre-proline 0 C--N 1.325 -0.461 0 N-CA-C 109.056 -0.72 . . . . 52.13 109.056 -179.367 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 8.4 Cg_exo -71.71 114.22 3.88 Favored 'Trans proline' 0 C--O 1.234 0.275 0 C-N-CA 123.148 2.565 . . . . 72.33 113.298 -171.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -88.95 110.59 21.24 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.124 -0.489 . . . . 75.34 110.627 176.189 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.66 ' HD3' ' H ' ' A' ' 52' ' ' LYS . 0.0 OUTLIER -67.49 -26.46 66.37 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.233 0.539 . . . . 71.34 109.678 172.117 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 82.9 tttt -98.37 96.43 8.03 Favored 'General case' 0 N--CA 1.45 -0.439 0 CA-C-N 115.377 -0.829 . . . . 75.33 108.814 170.494 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 25.7 ptm -82.59 -11.86 58.11 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.364 -0.38 . . . . 75.33 111.659 -175.174 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 52.4 t 74.22 -35.98 0.32 Allowed 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 123.461 0.704 . . . . 73.32 111.631 177.786 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 91.7 mttt -78.9 1.95 21.83 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.836 0.35 . . . . 65.55 111.445 179.328 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -108.04 93.33 4.48 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 109.802 -0.444 . . . . 72.11 109.802 175.6 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 54.7 ttp180 -96.58 101.35 12.95 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 109.355 -0.609 . . . . 73.42 109.355 177.884 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.445 HD13 ' HB2' ' A' ' 111' ' ' LYS . 28.3 mt -87.57 124.35 67.87 Favored Pre-proline 0 C--N 1.322 -0.595 0 CA-C-N 115.83 -0.623 . . . . 71.03 110.614 -176.127 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 20.4 Cg_endo -60.44 137.76 76.2 Favored 'Trans proline' 0 C--O 1.236 0.401 0 C-N-CA 123.0 2.466 . . . . 62.34 112.029 178.594 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . 0.482 ' HB3' ' ND2' ' A' ' 64' ' ' ASN . 78.2 mm-40 -128.04 88.07 53.93 Favored Pre-proline 0 C--N 1.326 -0.437 0 CA-C-N 116.207 -0.451 . . . . 74.22 110.435 -177.668 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 9.9 Cg_exo -71.75 -63.35 0.04 OUTLIER 'Trans proline' 0 C--N 1.345 0.349 0 C-N-CA 122.765 2.31 . . . . 74.53 112.067 -179.536 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 61.8 tttp -131.72 107.3 8.69 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 109.187 -0.671 . . . . 73.12 109.187 178.762 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . 0.695 ' ND2' HG22 ' A' ' 66' ' ' VAL . 27.2 p-10 -149.08 150.22 32.4 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 122.064 0.935 . . . . 55.02 112.178 -173.744 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 26.4 p -70.84 -24.16 62.47 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 114.521 -1.218 . . . . 75.13 111.955 -176.565 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.695 HG22 ' ND2' ' A' ' 64' ' ' ASN . 1.0 OUTLIER -68.02 -30.54 48.49 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.164 0 CA-C-O 120.944 0.402 . . . . 75.42 110.118 -177.684 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -71.6 -42.69 67.41 Favored 'General case' 0 N--CA 1.452 -0.358 0 N-CA-C 109.09 -0.707 . . . . 60.32 109.09 175.092 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 74.3 mmm -54.62 -41.5 70.06 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.179 -0.919 . . . . 63.05 110.412 175.847 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.76 ' HB3' HD13 ' A' ' 76' ' ' LEU . 1.2 mt -64.18 -35.76 81.83 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.764 -0.653 . . . . 62.52 111.757 -178.934 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 22.1 m-80 -68.23 -24.81 64.96 Favored 'General case' 0 CA--C 1.516 -0.348 0 CA-C-O 121.451 0.643 . . . . 71.31 110.094 -177.909 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 23.9 mm-40 -79.78 -26.26 40.68 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.244 -0.889 . . . . 63.04 110.542 178.402 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 88.7 mt -88.44 -60.35 1.98 Allowed 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.838 -0.619 . . . . 74.3 111.325 -179.52 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 4.8 tpt180 -144.88 123.09 12.19 Favored 'General case' 0 N--CA 1.443 -0.776 0 CA-C-N 116.411 -0.358 . . . . 61.03 110.413 -172.27 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 7.6 p-80 -84.83 173.22 10.8 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 110.055 -0.35 . . . . 75.42 110.055 176.512 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 81.66 29.94 37.68 Favored Glycine 0 N--CA 1.444 -0.767 0 C-N-CA 120.276 -0.964 . . . . 42.13 110.812 -174.375 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.872 ' H ' HD23 ' A' ' 76' ' ' LEU . 1.6 pt? -97.71 92.04 5.68 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.454 0.645 . . . . 73.3 110.19 -178.753 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.447 ' O ' ' HA ' ' A' ' 96' ' ' VAL . 4.5 mp -89.39 114.43 27.39 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.681 0 CA-C-N 116.104 -0.498 . . . . 74.54 110.722 -177.406 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . 0.461 ' CD1' ' HB ' ' A' ' 96' ' ' VAL . 93.3 m-85 -91.53 123.54 35.02 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.028 -0.533 . . . . 71.22 109.936 175.54 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 13.6 ptpt -133.47 138.75 46.31 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-O 120.906 0.384 . . . . 73.11 110.449 179.382 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 41.2 tp -79.3 104.22 9.77 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 109.198 -0.667 . . . . 74.44 109.198 176.068 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -92.23 -28.35 17.07 Favored 'General case' 0 C--N 1.325 -0.467 0 C-N-CA 120.507 -0.477 . . . . 71.51 111.483 -175.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 50.1 m -151.95 157.93 42.44 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 120.754 0.312 . . . . 75.22 110.914 -178.815 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . 0.516 ' NE2' ' HB2' ' A' ' 90' ' ' PRO . 23.2 tm0? -150.75 112.64 4.52 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 109.064 -0.717 . . . . 74.4 109.064 179.51 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . 0.488 ' O ' ' HB3' ' A' ' 91' ' ' LEU . 40.9 p -141.68 151.49 43.06 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.37 -0.377 . . . . 72.21 110.688 -175.132 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 138.92 -171.21 23.7 Favored Glycine 0 N--CA 1.449 -0.473 0 C-N-CA 120.085 -1.055 . . . . 75.33 112.944 173.381 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -73.77 169.23 22.86 Favored 'Trans proline' 0 N--CA 1.465 -0.187 0 C-N-CA 123.103 2.536 . . . . 71.15 112.094 179.048 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 10.0 p -81.4 -25.17 10.17 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-N 116.609 -0.269 . . . . 71.53 110.817 -179.134 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 41.1 p-80 -76.64 -35.26 58.12 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-O 120.8 0.334 . . . . 74.35 110.756 -179.425 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.416 ' HB1' ' HD2' ' A' ' 108' ' ' ARG . . . -147.45 70.85 11.75 Favored Pre-proline 0 C--N 1.325 -0.46 0 CA-C-N 116.297 -0.41 . . . . 74.14 110.673 -179.355 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . 0.516 ' HB2' ' NE2' ' A' ' 83' ' ' GLN . 33.4 Cg_endo -67.27 146.23 74.9 Favored 'Trans proline' 0 N--CA 1.458 -0.577 0 C-N-CA 122.304 2.003 . . . . 62.24 112.021 -177.56 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.488 ' HB3' ' O ' ' A' ' 84' ' ' THR . 17.7 tp -98.19 134.07 41.75 Favored 'General case' 0 C--N 1.316 -0.864 0 CA-C-O 121.295 0.569 . . . . 41.44 110.149 -179.03 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.581 ' O ' ' HA ' ' A' ' 106' ' ' GLN . 15.0 m-85 -112.82 140.0 47.98 Favored 'General case' 0 C--N 1.312 -1.048 0 CA-C-N 115.491 -0.777 . . . . 74.23 109.05 -178.918 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . 0.475 HG22 HD11 ' A' ' 104' ' ' LEU . 15.5 m -118.66 98.99 6.51 Favored 'General case' 0 N--CA 1.444 -0.764 0 CA-C-O 121.225 0.536 . . . . 74.22 110.372 -175.468 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 6.4 mm -97.32 126.05 50.24 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.722 0 CA-C-N 115.244 -0.889 . . . . 75.12 109.928 -179.765 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . 0.541 ' HB2' ' HD3' ' A' ' 102' ' ' LYS . 0.3 OUTLIER -101.4 128.11 47.74 Favored 'General case' 0 C--N 1.313 -1.008 0 CA-C-N 115.951 -0.568 . . . . 33.53 109.845 174.664 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.513 HG12 ' HB1' ' A' ' 117' ' ' ALA . 7.5 p -118.97 124.68 73.59 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.869 0 CA-C-O 121.363 0.601 . . . . 72.23 109.966 177.651 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 24.2 tt0 -97.66 118.79 34.97 Favored 'General case' 0 C--N 1.311 -1.077 0 CA-C-N 115.634 -0.712 . . . . 74.42 109.346 177.909 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 15.5 t -121.63 116.02 48.23 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.671 0 CA-C-N 115.915 -0.584 . . . . 71.24 110.079 -177.288 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 21.7 t70 60.51 4.42 0.71 Allowed 'General case' 0 N--CA 1.469 0.501 0 CA-C-N 115.11 -0.95 . . . . 74.4 112.274 -176.659 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 122.35 -22.27 7.5 Favored Glycine 0 N--CA 1.447 -0.608 0 C-N-CA 120.894 -0.669 . . . . 71.34 112.044 -177.235 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' GLN . . . . . 0.502 ' HB3' ' CE1' ' A' ' 103' ' ' TYR . 9.7 tp60 -80.86 131.05 35.34 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 109.211 -0.662 . . . . 51.34 109.211 178.109 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . 0.541 ' HD3' ' HB2' ' A' ' 95' ' ' SER . 0.6 OUTLIER -100.63 112.13 24.47 Favored 'General case' 0 C--N 1.321 -0.667 0 C-N-CA 120.526 -0.47 . . . . 44.41 110.135 -178.098 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' TYR . . . . . 0.502 ' CE1' ' HB3' ' A' ' 101' ' ' GLN . 62.8 m-85 -101.04 158.32 16.1 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.66 -0.7 . . . . 75.25 109.695 179.688 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.475 HD11 HG22 ' A' ' 93' ' ' THR . 12.2 tp -123.21 147.61 46.7 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 120.891 0.377 . . . . 61.55 110.801 -178.111 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . 0.527 ' HA3' ' N ' ' A' ' 117' ' ' ALA . . . -144.48 132.93 5.0 Favored Glycine 0 N--CA 1.445 -0.702 0 C-N-CA 121.087 -0.577 . . . . 61.4 111.748 176.212 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . 0.581 ' HA ' ' O ' ' A' ' 92' ' ' PHE . 29.9 mt-30 -123.01 118.05 26.88 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.004 0.43 . . . . 73.23 110.955 -176.408 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -132.81 -174.99 13.78 Favored Glycine 0 C--O 1.223 -0.57 0 N-CA-C 111.674 -0.57 . . . . 63.15 111.674 -178.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . 0.416 ' HD2' ' HB1' ' A' ' 89' ' ' ALA . 23.9 mmt180 -89.33 6.07 42.17 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 117.206 0.503 . . . . 75.44 111.333 -176.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 74.0 m -164.76 169.3 16.93 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 108.762 -0.829 . . . . 73.3 108.762 179.482 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 93.8 mttt -60.08 -38.54 83.19 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 121.38 0.61 . . . . 73.53 109.804 178.899 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . 0.445 ' HB2' HD13 ' A' ' 59' ' ' ILE . 33.7 tttp -59.63 -54.44 46.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.024 -0.989 . . . . 72.34 111.17 177.688 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 39.5 t -65.69 -42.92 93.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 115.809 -0.632 . . . . 75.34 110.875 -176.225 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -62.31 -39.38 92.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.243 -0.435 . . . . 44.45 111.065 -179.008 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 44.2 ttt180 -61.49 -41.34 97.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.772 -0.649 . . . . 62.42 110.063 178.202 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 115' ' ' ILE . . . . . 0.447 HG12 ' HB2' ' A' ' 64' ' ' ASN . 87.1 mt -67.02 -49.41 73.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 115.694 -0.684 . . . . 70.43 111.133 177.215 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -57.36 -35.12 69.54 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.767 0.318 . . . . 72.13 111.207 178.575 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . 0.527 ' N ' ' HA3' ' A' ' 105' ' ' GLY . . . -65.17 -46.37 81.1 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.126 0.489 . . . . 51.21 110.775 177.788 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . 0.536 ' O ' ' HG ' ' A' ' 122' ' ' LEU . . . -67.98 -29.79 68.9 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.783 -0.644 . . . . 42.31 111.287 -179.604 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -60.82 -42.19 97.2 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.111 0.481 . . . . 73.42 110.38 178.124 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 120' ' ' THR . . . . . 0.437 ' O ' ' HG2' ' A' ' 123' ' ' ARG . 18.7 m -63.63 -42.52 98.16 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.585 -0.734 . . . . 74.54 110.248 177.479 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -61.72 -48.92 78.58 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.731 -0.668 . . . . 54.52 111.058 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . 0.536 ' HG ' ' O ' ' A' ' 118' ' ' ALA . 55.9 mt -54.58 -48.81 71.65 Favored 'General case' 0 N--CA 1.462 0.142 0 CA-C-N 116.42 -0.355 . . . . 71.0 111.35 -177.829 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 123' ' ' ARG . . . . . 0.437 ' HG2' ' O ' ' A' ' 120' ' ' THR . 37.0 ptt180 -70.66 -14.48 62.48 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.241 -0.436 . . . . 64.31 111.118 -175.746 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 29.9 t -81.31 -26.41 35.69 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.282 -0.417 . . . . 62.23 110.299 175.868 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 78.6 m-85 -87.38 -55.41 3.81 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.742 0.305 . . . . 71.32 110.342 177.836 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 126' ' ' ILE . . . . . 0.617 HG13 ' HE1' ' A' ' 128' ' ' PHE . 0.2 OUTLIER -128.02 171.98 15.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.16 -0.473 . . . . 74.32 110.148 -179.518 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 127' ' ' GLN . . . . . 0.572 ' OE1' ' HG3' ' A' ' 129' ' ' LYS . 0.0 OUTLIER -133.02 122.11 23.72 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.964 0.411 . . . . 72.23 110.705 -175.463 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 128' ' ' PHE . . . . . 0.617 ' HE1' HG13 ' A' ' 126' ' ' ILE . 49.5 m-85 -122.03 108.54 13.5 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.294 -0.412 . . . . 55.51 111.039 177.94 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . 0.572 ' HG3' ' OE1' ' A' ' 127' ' ' GLN . 29.3 mtmm -98.21 93.06 6.03 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.981 0.42 . . . . 74.32 110.512 174.924 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 7.9 p-10 -90.01 -45.69 9.01 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.738 -0.664 . . . . 75.25 109.881 175.557 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 68.1 22.83 74.49 Favored Glycine 0 C--N 1.332 0.329 0 CA-C-N 115.973 -0.558 . . . . 71.22 112.69 179.039 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -96.88 130.0 44.24 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.628 0.251 . . . . 65.33 110.916 -177.832 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 133' ' ' VAL . . . . . 0.404 ' O ' HG12 ' A' ' 133' ' ' VAL . 7.2 t 60.47 29.61 0.12 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.352 0 CA-C-O 121.934 0.874 . . . . 73.51 109.965 179.527 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 27.8 tp -93.08 5.18 52.41 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 122.091 0.948 . . . . 64.03 109.784 179.725 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 135' ' ' SER . . . . . 0.499 ' HA ' ' HD3' ' A' ' 136' ' ' PRO . 40.5 p -126.22 135.78 27.63 Favored Pre-proline 0 C--N 1.315 -0.932 0 CA-C-N 114.435 -1.257 . . . . 52.31 109.418 178.172 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 136' ' ' PRO . . . . . 0.499 ' HD3' ' HA ' ' A' ' 135' ' ' SER . 7.9 Cg_exo -71.73 77.68 1.8 Allowed 'Trans proline' 0 N--CA 1.463 -0.318 0 C-N-CA 122.678 2.252 . . . . 73.32 112.552 -178.361 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 61.6 mt -88.27 -57.42 2.93 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 108.407 -0.96 . . . . 73.54 108.407 172.84 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 138' ' ' LYS . . . . . 0.453 ' HE3' ' HB3' ' A' ' 138' ' ' LYS . 1.4 tmmt? -137.45 93.6 12.61 Favored Pre-proline 0 C--N 1.322 -0.615 0 CA-C-N 114.812 -1.085 . . . . 75.53 108.146 171.025 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 1.0 OUTLIER -83.7 178.38 5.57 Favored 'Trans proline' 0 N--CA 1.458 -0.604 0 C-N-CA 123.196 2.597 . . . . 43.52 112.372 -176.4 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.081 0 CA-C-O 118.423 -0.799 . . . . 51.21 109.921 177.803 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 41.0 m . . . . . 0 N--CA 1.478 0.952 0 CA-C-O 120.857 0.361 . . . . 54.41 110.13 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.435 ' HA ' ' HD3' ' A' ' 50' ' ' PRO . 15.6 t70 -126.72 110.17 22.61 Favored Pre-proline 0 C--N 1.324 -0.504 0 CA-C-N 116.388 -0.369 . . . . 60.13 110.748 -176.88 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.435 ' HD3' ' HA ' ' A' ' 49' ' ' ASP . 4.8 Cg_exo -77.37 107.48 2.41 Favored 'Trans proline' 0 N--CA 1.46 -0.462 0 C-N-CA 123.223 2.615 . . . . 73.42 111.623 177.642 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 5.9 ptpp? -126.73 163.89 22.52 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.303 -0.408 . . . . 73.33 110.926 -178.104 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 70.8 mmtt -82.01 145.7 30.1 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.729 -0.669 . . . . 72.44 109.247 177.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 37.0 mtmm -83.06 121.86 27.58 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 109.909 -0.404 . . . . 74.3 109.909 177.325 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 51.6 ttm -70.31 111.7 6.09 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.112 -0.495 . . . . 71.14 110.651 -177.769 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 37.8 m -88.74 118.31 28.34 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.847 -0.615 . . . . 72.14 109.542 176.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 26.2 tptp -79.52 97.67 6.53 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.164 0.506 . . . . 73.52 110.281 -178.882 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 12.1 tp10 -80.28 150.8 29.87 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.832 -0.622 . . . . 72.04 109.71 179.586 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 15.2 ptt180 -68.89 131.17 44.68 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 109.971 -0.381 . . . . 74.52 109.971 178.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 56.3 mt -120.4 86.46 38.97 Favored Pre-proline 0 C--N 1.323 -0.56 0 CA-C-O 120.757 0.313 . . . . 64.34 111.137 -179.15 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . 0.442 ' O ' ' HD3' ' A' ' 62' ' ' PRO . 5.3 Cg_exo -81.53 -23.48 4.92 Favored 'Trans proline' 0 N--CA 1.461 -0.413 0 C-N-CA 123.112 2.541 . . . . 71.12 110.473 171.191 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 34.9 tt0 -110.8 91.91 13.52 Favored Pre-proline 0 C--N 1.325 -0.478 0 CA-C-N 114.718 -1.128 . . . . 74.24 109.267 178.442 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . 0.442 ' HD3' ' O ' ' A' ' 60' ' ' PRO . 83.8 Cg_endo -95.41 -159.81 0.06 OUTLIER 'Trans proline' 0 N--CA 1.45 -1.034 0 C-N-CA 123.308 2.672 . . . . 72.44 112.56 -176.457 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 23.7 tptp 58.58 62.8 1.85 Allowed 'General case' 0 C--O 1.234 0.251 0 CA-C-N 115.58 -0.737 . . . . 75.22 110.001 -179.545 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . 0.538 ' ND2' ' HB ' ' A' ' 66' ' ' VAL . 27.2 p-10 -102.13 146.29 28.16 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 121.825 0.821 . . . . 62.13 111.307 -178.44 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 39.2 p -69.23 -21.15 63.95 Favored 'General case' 0 C--N 1.315 -0.929 0 CA-C-N 114.527 -1.215 . . . . 64.42 110.811 -178.861 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.538 ' HB ' ' ND2' ' A' ' 64' ' ' ASN . 50.0 t -59.85 -44.05 93.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 115.296 -0.865 . . . . 73.03 110.283 177.305 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.575 ' O ' ' HG2' ' A' ' 71' ' ' GLU . . . -65.99 -40.47 91.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.044 -0.525 . . . . 63.1 110.149 176.174 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' MET . . . . . 0.404 ' HB2' HD11 ' A' ' 122' ' ' LEU . 80.0 mmm -57.9 -42.17 84.14 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.666 -0.697 . . . . 71.11 111.382 178.622 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.853 ' HB3' HD13 ' A' ' 76' ' ' LEU . 1.2 mt -62.17 -35.92 80.29 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.279 -0.419 . . . . 71.23 110.993 -179.78 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . 0.404 ' ND2' HD11 ' A' ' 76' ' ' LEU . 25.3 m-80 -67.39 -24.27 65.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.127 0.489 . . . . 72.43 110.466 178.838 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.575 ' HG2' ' O ' ' A' ' 67' ' ' ALA . 4.2 mm-40 -80.18 -22.71 41.63 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.686 -0.688 . . . . 44.31 110.504 178.806 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 72.6 mt -99.38 -67.14 0.86 Allowed 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.939 -0.573 . . . . 70.03 112.075 -176.294 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 1.1 tpp180 -132.46 125.44 30.71 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.583 -0.281 . . . . 75.23 110.994 -170.172 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 20.0 p-80 -77.99 167.36 21.6 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.309 -0.405 . . . . 71.54 110.16 174.817 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 82.88 36.03 16.95 Favored Glycine 0 N--CA 1.445 -0.739 0 C-N-CA 120.238 -0.982 . . . . 70.43 110.99 -178.08 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.853 HD13 ' HB3' ' A' ' 69' ' ' LEU . 1.2 pt? -100.76 100.82 11.55 Favored 'General case' 0 N--CA 1.45 -0.432 0 CA-C-O 121.323 0.582 . . . . 74.1 110.072 179.023 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.518 ' O ' ' HA ' ' A' ' 96' ' ' VAL . 4.8 mp -102.96 115.35 44.77 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 CA-C-N 115.879 -0.601 . . . . 73.32 110.552 -178.797 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . 0.417 ' CE2' HD12 ' A' ' 76' ' ' LEU . 86.9 m-85 -94.65 124.43 38.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.283 -0.417 . . . . 75.41 110.101 177.421 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 17.7 ptpt -135.72 143.29 45.28 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 116.293 -0.412 . . . . 75.2 110.611 179.015 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 49.3 tp -84.26 106.0 15.54 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 109.229 -0.656 . . . . 65.52 109.229 177.673 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -89.14 -29.7 19.15 Favored 'General case' 0 C--N 1.325 -0.494 0 C-N-CA 120.294 -0.562 . . . . 75.31 111.666 -175.865 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 57.7 m -153.5 146.66 24.66 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.89 0.376 . . . . 54.51 110.981 178.739 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 22.1 tm0? -143.57 116.62 8.89 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 109.279 -0.637 . . . . 71.34 109.279 176.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 23.3 p -142.37 144.7 33.27 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.4 -0.364 . . . . 61.21 110.852 -177.301 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 135.58 179.96 17.13 Favored Glycine 0 N--CA 1.448 -0.51 0 C-N-CA 120.043 -1.075 . . . . 61.54 113.389 173.361 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 58.7 Cg_endo -71.58 -176.95 2.2 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 123.565 2.843 . . . . 65.51 112.466 -179.455 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 33.8 m -93.66 -20.81 6.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-O 120.76 0.314 . . . . 73.34 111.005 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 35.2 p-80 -81.74 -23.01 36.95 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.354 -0.384 . . . . 55.44 110.25 178.812 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -158.89 76.35 3.29 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-N 116.156 -0.475 . . . . 74.44 110.769 178.767 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . 0.634 ' O ' ' HA ' ' A' ' 108' ' ' ARG . 5.8 Cg_exo -75.67 155.03 39.8 Favored 'Trans proline' 0 N--CA 1.458 -0.587 0 C-N-CA 122.482 2.121 . . . . 61.42 111.595 179.884 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.504 HD11 ' NE2' ' A' ' 106' ' ' GLN . 3.2 tm? -109.63 116.43 31.72 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-O 121.456 0.646 . . . . 72.02 109.723 176.226 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.428 ' O ' ' HA ' ' A' ' 106' ' ' GLN . 48.2 m-85 -103.04 134.5 46.38 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 115.065 -0.97 . . . . 74.5 109.317 177.631 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 18.6 m -118.19 101.63 8.37 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-O 121.023 0.439 . . . . 74.23 110.032 -179.263 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 0.472 HG21 ' HA ' ' A' ' 114' ' ' ARG . 7.4 mm -99.29 129.2 50.12 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.755 0 CA-C-N 115.685 -0.689 . . . . 74.04 109.788 -179.52 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . 0.556 ' HB2' ' HD3' ' A' ' 102' ' ' LYS . 1.7 p -108.07 131.55 54.48 Favored 'General case' 0 C--N 1.312 -1.046 0 CA-C-N 116.126 -0.488 . . . . 74.44 110.143 175.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.612 HG12 ' HB1' ' A' ' 117' ' ' ALA . 7.9 p -123.68 124.12 68.68 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.897 0 CA-C-O 121.273 0.559 . . . . 62.42 109.73 176.202 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 14.0 tt0 -97.98 108.22 20.87 Favored 'General case' 0 N--CA 1.437 -1.088 0 N-CA-C 109.311 -0.625 . . . . 72.1 109.311 179.228 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . 0.55 ' C ' ' H ' ' A' ' 100' ' ' GLY . 21.3 t -112.42 125.01 69.65 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.001 0 CA-C-N 115.538 -0.755 . . . . 61.34 109.78 -175.596 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 14.0 t70 69.49 -31.19 0.2 Allowed 'General case' 0 N--CA 1.472 0.657 0 O-C-N 123.992 0.807 . . . . 63.44 111.567 -174.805 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . 0.55 ' H ' ' C ' ' A' ' 98' ' ' VAL . . . 146.68 -12.13 1.51 Allowed Glycine 0 C--N 1.304 -1.201 0 N-CA-C 110.871 -0.892 . . . . 73.42 110.871 -175.275 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' GLN . . . . . 0.508 ' HB3' ' CE1' ' A' ' 103' ' ' TYR . 13.5 tp60 -87.89 133.45 33.91 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 109.005 -0.739 . . . . 73.04 109.005 176.566 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . 0.556 ' HD3' ' HB2' ' A' ' 95' ' ' SER . 0.5 OUTLIER -96.5 109.65 22.18 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 121.101 0.477 . . . . 61.04 110.241 -178.179 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' TYR . . . . . 0.508 ' CE1' ' HB3' ' A' ' 101' ' ' GLN . 76.2 m-85 -97.11 156.65 16.29 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.647 -0.706 . . . . 74.01 109.564 -179.629 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 12.0 tp -124.81 141.93 51.78 Favored 'General case' 0 C--N 1.321 -0.632 0 C-N-CA 120.847 -0.341 . . . . 74.22 111.003 -176.294 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . 0.445 ' HA3' ' N ' ' A' ' 117' ' ' ALA . . . -135.43 130.49 5.42 Favored Glycine 0 N--CA 1.444 -0.803 0 N-CA-C 111.279 -0.729 . . . . 54.33 111.279 175.881 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . 0.504 ' NE2' HD11 ' A' ' 91' ' ' LEU . 29.0 mt-30 -121.77 123.85 42.8 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-O 120.811 0.339 . . . . 71.45 110.423 -176.858 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -145.86 -179.5 22.13 Favored Glycine 0 N--CA 1.448 -0.564 0 C-N-CA 120.956 -0.64 . . . . 65.22 112.062 -177.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . 0.634 ' HA ' ' O ' ' A' ' 90' ' ' PRO . 25.2 mmt180 -83.91 -3.38 57.89 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.748 0.309 . . . . 71.25 111.709 -177.848 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . 0.472 ' HB2' HG23 ' A' ' 112' ' ' VAL . 16.0 m -151.32 164.21 37.17 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 109.029 -0.73 . . . . 61.13 109.029 -178.244 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -59.66 -37.34 78.45 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.845 0.355 . . . . 74.23 110.334 179.203 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 79.7 tttt -66.75 -51.47 55.52 Favored 'General case' 0 N--CA 1.452 -0.335 0 CA-C-N 115.935 -0.575 . . . . 63.52 110.684 179.872 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . 0.472 HG23 ' HB2' ' A' ' 109' ' ' SER . 21.8 t -55.64 -51.26 60.5 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 CA-C-N 116.131 -0.486 . . . . 73.12 110.321 179.599 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -60.35 -38.73 84.75 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.779 -0.646 . . . . 51.01 111.235 -178.718 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 114' ' ' ARG . . . . . 0.472 ' HA ' HG21 ' A' ' 94' ' ' ILE . 17.7 ttm180 -63.43 -45.81 89.21 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.014 -0.539 . . . . 71.2 110.443 178.845 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 71.7 mt -62.76 -46.54 96.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-N 115.742 -0.663 . . . . 75.32 111.402 176.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -59.58 -37.93 79.82 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.824 0.345 . . . . 54.42 111.429 178.684 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . 0.612 ' HB1' HG12 ' A' ' 96' ' ' VAL . . . -62.62 -47.16 84.97 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.044 0.449 . . . . 41.44 110.733 176.858 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . 0.499 ' O ' ' HG ' ' A' ' 122' ' ' LEU . . . -66.45 -33.52 75.88 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.587 -0.733 . . . . 51.25 111.098 179.65 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -61.68 -42.11 98.48 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.296 -0.411 . . . . 53.33 110.882 179.386 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 120' ' ' THR . . . . . 0.936 ' HA ' ' HE ' ' A' ' 123' ' ' ARG . 62.7 m -66.94 -35.3 79.67 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.106 -0.497 . . . . 64.15 110.6 178.111 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -63.9 -45.83 87.55 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.149 -0.478 . . . . 74.34 110.467 176.48 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . 0.499 ' HG ' ' O ' ' A' ' 118' ' ' ALA . 62.4 mt -58.23 -51.72 68.56 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-N 116.33 -0.395 . . . . 51.5 111.253 -179.902 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 123' ' ' ARG . . . . . 0.936 ' HE ' ' HA ' ' A' ' 120' ' ' THR . 20.0 ptt180 -70.26 -9.43 55.9 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.207 -0.451 . . . . 71.12 111.595 -176.568 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 13.2 t -82.15 -28.82 31.94 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 109.252 -0.648 . . . . 74.43 109.252 174.255 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 29.6 m-85 -84.44 -55.17 4.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.722 -0.672 . . . . 73.43 110.073 179.731 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 126' ' ' ILE . . . . . 0.502 HD13 ' H ' ' A' ' 126' ' ' ILE . 0.2 OUTLIER -126.14 135.75 62.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-O 121.258 0.551 . . . . 74.21 110.653 -179.862 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 127' ' ' GLN . . . . . 0.468 ' H ' ' NE2' ' A' ' 127' ' ' GLN . 0.3 OUTLIER -94.27 164.24 13.11 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.572 -0.74 . . . . 75.33 109.555 177.152 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 62.5 m-85 -123.9 -28.82 3.74 Favored 'General case' 0 C--N 1.316 -0.862 0 C-N-CA 120.812 -0.355 . . . . 73.4 110.834 -177.52 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 34.7 mmtp -103.31 -179.12 3.86 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.252 -0.431 . . . . 62.24 110.651 179.167 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -90.87 26.38 2.1 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.258 0.551 . . . . 62.52 111.093 -178.795 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . -80.17 56.74 4.63 Favored Glycine 0 N--CA 1.45 -0.426 0 CA-C-N 115.937 -0.574 . . . . 63.4 111.817 177.531 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -72.3 -177.79 2.27 Favored 'General case' 0 C--N 1.326 -0.441 0 C-N-CA 122.499 0.32 . . . . 74.31 111.137 -178.899 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 92.4 t -54.51 121.09 2.64 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 116.39 -0.368 . . . . 54.41 111.205 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 56.0 tp -63.52 101.67 0.36 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.743 -0.662 . . . . 71.31 110.018 176.12 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 135' ' ' SER . . . . . 0.419 ' OG ' ' HD2' ' A' ' 136' ' ' PRO . 10.4 t -143.9 151.16 52.1 Favored Pre-proline 0 C--N 1.318 -0.773 0 N-CA-C 108.97 -0.752 . . . . 75.22 108.97 -176.406 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 136' ' ' PRO . . . . . 0.419 ' HD2' ' OG ' ' A' ' 135' ' ' SER . 77.5 Cg_endo -77.41 24.73 0.49 Allowed 'Trans proline' 0 C--O 1.234 0.289 0 C-N-CA 122.389 2.059 . . . . 74.22 113.454 -177.554 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 15.7 mt -77.59 99.97 5.95 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 115.701 -0.681 . . . . 74.52 109.379 179.269 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 138' ' ' LYS . . . . . 0.409 ' HA ' ' HD3' ' A' ' 139' ' ' PRO . 23.6 pttm -132.58 119.79 16.39 Favored Pre-proline 0 C--N 1.321 -0.641 0 CA-C-N 115.861 -0.609 . . . . 74.01 111.009 -173.089 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 139' ' ' PRO . . . . . 0.409 ' HD3' ' HA ' ' A' ' 138' ' ' LYS . 5.5 Cg_endo -86.94 136.3 4.2 Favored 'Trans proline' 0 N--CA 1.455 -0.754 0 C-N-CA 123.143 2.562 . . . . 74.15 111.709 175.216 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.081 0 CA-C-O 118.313 -0.851 . . . . 73.12 110.233 179.913 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 49.8 m . . . . . 0 N--CA 1.472 0.669 0 CA-C-O 120.942 0.401 . . . . 64.53 110.187 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 12.4 p-10 -140.25 80.48 19.66 Favored Pre-proline 0 C--N 1.324 -0.522 0 CA-C-O 121.523 0.678 . . . . 75.12 111.004 -179.621 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 88.1 Cg_endo -81.86 -8.11 12.25 Favored 'Trans proline' 0 N--CA 1.462 -0.346 0 C-N-CA 122.611 2.207 . . . . 65.34 112.166 178.887 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 10.1 ptpp? -86.43 138.6 31.64 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.104 -0.498 . . . . 45.32 110.837 -177.707 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 66.6 mttm -97.57 89.04 4.53 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 109.506 -0.553 . . . . 72.34 109.506 175.789 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 22.0 pttp -60.05 148.01 37.21 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.574 -0.739 . . . . 65.21 111.463 -175.391 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 9.4 tpt -65.03 118.28 8.9 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.435 -0.802 . . . . 75.12 111.376 -175.454 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 45.4 t -93.8 -53.91 3.83 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 109.244 -0.65 . . . . 72.52 109.244 176.512 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 16.6 ptpt -155.6 156.89 35.87 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.763 -0.653 . . . . 73.22 110.236 174.803 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -87.96 159.81 18.17 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 116.114 -0.494 . . . . 74.03 111.718 -175.69 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.407 HH11 ' HD2' ' A' ' 58' ' ' ARG . 22.0 mtp180 -113.83 135.12 54.31 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.663 -0.699 . . . . 74.43 109.138 173.694 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.425 ' HA ' ' HD3' ' A' ' 60' ' ' PRO . 72.5 mt -56.96 118.02 21.23 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 123.461 0.475 . . . . 73.54 112.083 -173.795 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . 0.425 ' HD3' ' HA ' ' A' ' 59' ' ' ILE . 10.4 Cg_exo -71.24 164.53 35.41 Favored 'Trans proline' 0 C--N 1.345 0.39 0 C-N-CA 123.222 2.614 . . . . 72.02 111.58 178.161 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 27.4 mm-40 -107.01 152.91 41.16 Favored Pre-proline 0 C--N 1.321 -0.66 0 CA-C-N 116.204 -0.453 . . . . 72.23 110.359 -177.82 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 28.5 Cg_exo -62.86 167.33 12.21 Favored 'Trans proline' 0 C--N 1.344 0.333 0 C-N-CA 123.136 2.557 . . . . 64.43 112.755 -179.081 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 78.4 tttt 65.07 21.83 12.28 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-N 115.423 -0.808 . . . . 73.04 110.435 -177.582 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . 0.514 ' ND2' ' HB ' ' A' ' 66' ' ' VAL . 21.0 p-10 -81.56 143.9 31.67 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.793 0.806 . . . . 72.12 110.672 178.624 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.415 ' OG1' ' HB3' ' A' ' 118' ' ' ALA . 36.0 p -63.07 -21.81 66.42 Favored 'General case' 0 C--N 1.316 -0.855 0 CA-C-N 114.522 -1.217 . . . . 61.32 111.1 -179.125 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.514 ' HB ' ' ND2' ' A' ' 64' ' ' ASN . 48.3 t -61.86 -44.03 98.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 115.33 -0.85 . . . . 63.11 110.888 178.644 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -66.55 -38.99 88.32 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.203 0.525 . . . . 53.13 109.961 177.582 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 78.4 mmm -59.19 -42.46 90.92 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.336 -0.847 . . . . 72.41 110.662 178.35 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.733 ' HB3' HD13 ' A' ' 76' ' ' LEU . 3.2 mt -62.39 -36.95 83.91 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.768 -0.651 . . . . 71.31 111.384 179.179 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 25.5 m-80 -67.31 -21.63 65.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.33 -0.395 . . . . 62.42 110.999 -179.619 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 27.4 mt-10 -81.93 -27.09 33.52 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.867 0.365 . . . . 62.33 110.607 176.835 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 98.3 mt -87.01 -55.89 3.62 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.195 -0.457 . . . . 71.24 111.433 -176.734 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 30.7 mmt180 -137.39 177.38 7.91 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.96 0.41 . . . . 74.4 111.032 -175.579 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 29.0 p-80 -126.8 169.95 12.69 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.78 -0.645 . . . . 73.1 109.492 175.713 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 79.9 20.43 68.0 Favored Glycine 0 N--CA 1.449 -0.483 0 C-N-CA 120.791 -0.719 . . . . 75.23 111.902 -179.855 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.909 ' H ' HD23 ' A' ' 76' ' ' LEU . 0.9 OUTLIER -78.92 95.42 5.44 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.353 0.597 . . . . 71.3 110.596 -179.216 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.58 ' O ' ' HA ' ' A' ' 96' ' ' VAL . 4.7 mt -88.14 111.83 22.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 115.702 -0.681 . . . . 75.35 111.138 -178.261 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . 0.464 ' CE2' HD12 ' A' ' 76' ' ' LEU . 97.1 m-85 -91.96 116.0 28.55 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 109.842 -0.429 . . . . 71.34 109.842 173.527 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 27.2 pttt -132.79 142.49 49.02 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 115.974 -0.557 . . . . 70.31 110.291 -179.066 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.525 HD22 ' HE2' ' A' ' 110' ' ' LYS . 36.9 tp -83.52 104.63 13.81 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 109.419 -0.586 . . . . 61.44 109.419 177.787 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -88.21 -36.78 16.59 Favored 'General case' 0 C--N 1.321 -0.643 0 C-N-CA 120.414 -0.514 . . . . 53.14 111.163 -176.762 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . 0.514 ' HB2' ' HB ' ' A' ' 93' ' ' THR . 19.4 m -139.26 152.09 47.01 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.394 -0.366 . . . . 71.32 110.865 -175.568 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 19.1 tm0? -157.06 125.75 5.77 Favored 'General case' 0 C--O 1.235 0.295 0 N-CA-C 110.072 -0.344 . . . . 71.33 110.072 179.162 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 3.3 p -150.03 -163.93 1.9 Allowed 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.905 -0.589 . . . . 62.14 109.903 178.896 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 105.45 174.67 24.11 Favored Glycine 0 N--CA 1.453 -0.197 0 C-N-CA 120.653 -0.784 . . . . 60.25 113.385 170.422 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo -70.98 173.64 11.76 Favored 'Trans proline' 0 C--N 1.345 0.358 0 C-N-CA 123.318 2.679 . . . . 74.54 112.024 178.182 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 33.8 m -85.48 -19.78 8.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 C-N-CA 120.878 -0.329 . . . . 63.44 111.558 -178.824 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 39.5 p-80 -80.88 -29.26 35.72 Favored 'General case' 0 C--N 1.331 -0.234 0 C-N-CA 120.884 -0.327 . . . . 62.32 110.257 178.014 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.5 ' HB1' ' HD2' ' A' ' 108' ' ' ARG . . . -156.61 77.82 4.13 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 116.441 -0.345 . . . . 72.52 110.634 -179.151 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . 0.607 ' O ' ' HA ' ' A' ' 108' ' ' ARG . 3.3 Cg_exo -70.49 160.28 50.04 Favored 'Trans proline' 0 N--CA 1.455 -0.778 0 C-N-CA 121.866 1.71 . . . . 71.31 111.938 -178.271 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.482 HD21 ' HB3' ' A' ' 106' ' ' GLN . 3.2 tm? -106.01 118.28 36.2 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-N 115.891 -0.595 . . . . 50.33 109.628 -179.631 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 52.7 m-85 -105.67 137.11 44.07 Favored 'General case' 0 C--N 1.315 -0.893 0 CA-C-N 115.417 -0.81 . . . . 72.33 109.454 179.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . 0.514 ' HB ' ' HB2' ' A' ' 82' ' ' SER . 18.5 m -119.81 99.89 6.91 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 121.189 0.518 . . . . 73.41 110.164 -177.653 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 0.559 HG21 ' HA ' ' A' ' 114' ' ' ARG . 5.3 mm -96.23 130.42 44.93 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.739 0 CA-C-N 115.413 -0.812 . . . . 72.23 109.816 179.609 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . 0.629 ' HB2' ' HD3' ' A' ' 102' ' ' LYS . 2.6 p -107.28 133.69 51.46 Favored 'General case' 0 C--N 1.312 -1.044 0 CA-C-N 115.908 -0.587 . . . . 41.52 109.531 175.646 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.58 ' HA ' ' O ' ' A' ' 77' ' ' ILE . 7.2 p -120.48 125.16 73.83 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.816 0 CA-C-O 121.368 0.604 . . . . 72.35 109.794 178.217 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 21.4 tt0 -99.8 115.57 29.86 Favored 'General case' 0 C--N 1.311 -1.077 0 CA-C-N 115.541 -0.754 . . . . 70.32 109.585 -178.84 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 21.9 t -132.59 121.48 45.22 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.841 0 CA-C-N 116.039 -0.528 . . . . 72.21 110.342 -175.854 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 34.1 t70 61.69 14.44 6.1 Favored 'General case' 0 N--CA 1.469 0.514 0 CA-C-O 121.524 0.678 . . . . 72.11 111.031 179.311 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 103.7 -12.65 53.7 Favored Glycine 0 N--CA 1.449 -0.496 0 C-N-CA 120.735 -0.745 . . . . 62.32 112.144 -178.545 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 17.4 mm-40 -90.79 131.23 36.57 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.914 0.387 . . . . 74.21 110.554 178.838 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . 0.629 ' HD3' ' HB2' ' A' ' 95' ' ' SER . 0.7 OUTLIER -101.41 105.04 16.02 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-N 115.868 -0.606 . . . . 72.02 110.135 -178.108 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 72.3 m-85 -95.42 156.89 16.13 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.559 -0.746 . . . . 74.13 110.006 -178.544 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.404 HD11 HG22 ' A' ' 93' ' ' THR . 11.4 tp -124.51 142.67 51.16 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.039 0.447 . . . . 73.44 111.44 -175.921 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . 0.501 ' HA3' ' N ' ' A' ' 117' ' ' ALA . . . -138.21 130.88 5.17 Favored Glycine 0 N--CA 1.447 -0.615 0 CA-C-N 115.835 -0.62 . . . . 44.05 111.648 175.825 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . 0.482 ' HB3' HD21 ' A' ' 91' ' ' LEU . 30.3 mt-30 -115.64 130.78 56.99 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 120.812 0.339 . . . . 74.22 110.927 -178.374 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -150.63 177.03 28.94 Favored Glycine 0 N--CA 1.449 -0.469 0 C-N-CA 121.02 -0.61 . . . . 72.41 111.985 -178.199 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . 0.607 ' HA ' ' O ' ' A' ' 90' ' ' PRO . 31.6 mmt180 -88.48 6.44 37.71 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.954 0.407 . . . . 53.33 111.494 -177.492 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 50.9 m -160.21 164.56 32.7 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 108.707 -0.849 . . . . 71.53 108.707 177.821 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . 0.525 ' HE2' HD22 ' A' ' 80' ' ' LEU . 94.8 mttt -62.08 -30.97 71.37 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 121.284 0.564 . . . . 64.42 109.826 178.18 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 69.3 tttt -60.89 -55.8 28.74 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.2 -0.909 . . . . 71.24 110.881 176.796 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . 0.495 ' O ' ' HG2' ' A' ' 116' ' ' GLU . 21.4 t -61.6 -49.21 85.3 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 115.903 -0.589 . . . . 61.52 110.476 -177.651 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -58.95 -36.63 75.12 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.696 -0.684 . . . . 65.11 111.836 -175.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 114' ' ' ARG . . . . . 0.559 ' HA ' HG21 ' A' ' 94' ' ' ILE . 18.0 ttm180 -63.42 -45.3 91.6 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 121.047 0.451 . . . . 72.21 110.389 178.488 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 61.6 mt -65.94 -45.71 90.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.032 -0.531 . . . . 72.53 110.98 178.205 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . 0.495 ' HG2' ' O ' ' A' ' 112' ' ' VAL . 39.0 mm-40 -58.88 -36.87 75.36 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.493 -0.321 . . . . 75.32 111.597 178.366 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . 0.501 ' N ' ' HA3' ' A' ' 105' ' ' GLY . . . -63.81 -46.72 83.84 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.01 0.433 . . . . 72.32 110.75 177.928 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . 0.494 ' O ' ' HG ' ' A' ' 122' ' ' LEU . . . -66.4 -30.17 70.48 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.765 -0.652 . . . . 74.22 111.103 -179.837 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -59.76 -46.34 89.47 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.289 -0.414 . . . . 51.43 110.79 176.653 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 120' ' ' THR . . . . . 0.473 ' O ' ' HG2' ' A' ' 123' ' ' ARG . 37.2 m -61.35 -38.83 88.35 Favored 'General case' 0 C--O 1.234 0.237 0 CA-C-O 121.296 0.57 . . . . 74.21 110.548 176.876 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -62.39 -51.39 67.78 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.793 -0.639 . . . . 73.1 110.915 179.179 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . 0.494 ' HG ' ' O ' ' A' ' 118' ' ' ALA . 58.7 mt -53.73 -47.65 70.39 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.299 -0.41 . . . . 73.53 111.618 -177.526 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 123' ' ' ARG . . . . . 0.473 ' HG2' ' O ' ' A' ' 120' ' ' THR . 4.9 ptp180 -68.41 -19.87 64.63 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.759 0.314 . . . . 73.25 111.401 -175.946 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 26.2 t -78.68 -24.31 45.14 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.652 0.263 . . . . 71.52 110.375 176.465 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 82.3 m-85 -85.96 -55.87 3.74 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 109.828 -0.434 . . . . 60.12 109.828 176.085 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 126' ' ' ILE . . . . . 0.444 HD13 ' H ' ' A' ' 126' ' ' ILE . 0.2 OUTLIER -132.54 143.67 39.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-O 121.175 0.512 . . . . 64.2 110.629 178.532 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 1.1 pp0? -123.24 174.39 7.32 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 109.323 -0.621 . . . . 72.13 109.323 175.298 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 52.4 m-85 -125.55 8.38 7.68 Favored 'General case' 0 C--N 1.322 -0.621 0 C-N-CA 120.379 -0.528 . . . . 61.33 111.499 -176.234 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 9.8 mtpm? 55.81 42.77 28.68 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-O 121.456 0.646 . . . . 64.11 109.626 -175.201 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -53.83 -49.28 68.74 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 114.632 -1.167 . . . . 64.25 111.852 -174.517 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 68.63 37.53 84.94 Favored Glycine 0 N--CA 1.449 -0.464 0 C-N-CA 120.719 -0.753 . . . . 60.13 112.048 -177.793 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -106.47 164.62 11.9 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 110.197 -0.298 . . . . 52.03 110.197 179.501 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 23.9 m -114.72 137.96 46.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-O 121.259 0.552 . . . . 65.12 110.723 -179.427 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 7.3 mp -81.22 83.31 6.87 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.977 -0.556 . . . . 65.0 109.941 178.686 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 135' ' ' SER . . . . . 0.587 ' HB2' ' HD3' ' A' ' 136' ' ' PRO . 38.0 m -65.45 -46.76 69.87 Favored Pre-proline 0 C--N 1.324 -0.508 0 CA-C-N 115.522 -0.763 . . . . 74.54 111.96 179.302 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 136' ' ' PRO . . . . . 0.587 ' HD3' ' HB2' ' A' ' 135' ' ' SER . 2.6 Cg_endo -82.76 58.46 6.43 Favored 'Trans proline' 0 C--N 1.351 0.69 0 C-N-CA 122.231 1.954 . . . . 43.02 111.377 173.854 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 137' ' ' LEU . . . . . 0.466 ' H ' HD23 ' A' ' 137' ' ' LEU . 0.6 OUTLIER -62.69 147.57 49.16 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.661 -0.7 . . . . 64.44 110.791 -179.825 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 138' ' ' LYS . . . . . 0.52 ' HD2' ' HD2' ' A' ' 139' ' ' PRO . 27.4 tptp -120.59 113.36 33.46 Favored Pre-proline 0 C--N 1.321 -0.664 0 CA-C-N 115.883 -0.599 . . . . 75.55 110.627 -178.184 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 139' ' ' PRO . . . . . 0.52 ' HD2' ' HD2' ' A' ' 138' ' ' LYS . 32.9 Cg_endo -65.99 140.76 61.54 Favored 'Trans proline' 0 C--O 1.235 0.352 0 C-N-CA 122.29 1.994 . . . . 61.4 111.02 173.444 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.245 0.861 0 CA-C-O 118.535 -0.745 . . . . 73.12 110.609 -176.791 . . . . . . . . 0 0 . 1 stop_ save_