data_6c44_residue ############################ # Computer software used # ############################ 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 6c44 _Structure_validation_residue.Date_analyzed 2019-01-11 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 ' 42' ' ' GLY . . . . . 0.732 ' HA3' ' SD ' ' A' ' 46' ' ' MET . . . . . . . . 0 N--CA 1.45 -0.391 0 N-CA-C 111.803 -0.519 . . . . 0.0 111.803 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.426 ' O ' HG23 ' A' ' 47' ' ' VAL . 62.8 Cg_endo -74.24 -176.19 2.57 Favored 'Trans proline' 0 N--CA 1.462 -0.325 0 C-N-CA 122.239 1.959 . . . . 0.0 112.145 178.143 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 19.2 pt -57.29 -28.78 31.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-O 120.821 0.343 . . . . 0.0 111.763 -178.349 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 97.0 mtt180 -62.45 -43.46 98.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.091 0.472 . . . . 0.0 110.653 176.635 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' MET . . . . . 0.732 ' SD ' ' HA3' ' A' ' 42' ' ' GLY . 54.5 mtt -73.79 -28.2 61.52 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.712 178.798 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.426 HG23 ' O ' ' A' ' 43' ' ' PRO . 86.0 t -58.55 -48.97 84.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.765 0.317 . . . . 0.0 110.434 176.573 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 62.0 mt -65.99 -35.49 80.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.679 178.427 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -60.95 -47.53 86.02 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.009 176.008 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.561 HG13 ' O ' ' A' ' 46' ' ' MET . 66.4 mt -65.32 -33.83 66.34 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.177 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.156 178.375 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.536 ' O ' ' HG2' ' A' ' 55' ' ' ARG . 14.4 tp -62.31 -52.71 62.57 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.423 178.162 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.54 -38.6 81.47 Favored 'General case' 0 CA--C 1.518 -0.277 0 CA-C-O 120.873 0.368 . . . . 0.0 110.456 178.882 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . 0.441 ' HB3' ' O ' ' A' ' 50' ' ' ILE . 75.2 t80 -52.34 -57.67 9.06 Favored 'General case' 0 N--CA 1.451 -0.414 0 CA-C-N 115.631 -0.713 . . . . 0.0 109.27 172.817 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.439 HD12 ' H ' ' A' ' 62' ' ' SER . 93.2 mt -69.53 -6.57 31.67 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.111 -0.495 . . . . 0.0 112.301 -178.608 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.536 ' HG2' ' O ' ' A' ' 51' ' ' LEU . 36.0 mmt180 -85.81 -42.57 14.05 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.925 0.393 . . . . 0.0 110.897 175.355 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 40.6 m-85 -100.82 -8.18 22.89 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.931 -176.345 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' THR . . . . . 0.515 ' HA ' ' HG2' ' B' ' 46' ' ' MET . 43.7 p -107.34 -12.37 15.35 Favored 'General case' 0 C--N 1.327 -0.396 0 C-N-CA 120.566 -0.454 . . . . 0.0 110.993 174.862 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -146.26 170.15 17.33 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.979 -173.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 70.4 mt -105.04 -18.16 7.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-O 121.943 0.878 . . . . 0.0 110.338 -179.276 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 59.4 tptt -141.9 109.64 6.02 Favored Pre-proline 0 C--N 1.306 -1.292 0 CA-C-N 114.5 -1.227 . . . . 0.0 110.657 -178.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 17.1 Cg_exo -68.24 154.57 71.92 Favored 'Trans proline' 0 C--O 1.234 0.304 0 C-N-CA 122.665 2.243 . . . . 0.0 111.679 175.715 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' SER . . . . . 0.439 ' H ' HD12 ' A' ' 54' ' ' LEU . 12.8 m -69.7 139.78 53.47 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.629 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 84.5 mt -63.46 -21.94 66.6 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.38 -0.827 . . . . 0.0 112.076 -173.088 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -62.68 -45.8 95.02 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.576 -0.821 . . . . 0.0 111.556 175.69 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -66.19 -39.58 89.81 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 109.713 -0.477 . . . . 0.0 109.713 176.79 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 50.4 mm -65.01 -34.07 68.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.044 179.681 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 8.7 t30 -73.35 -33.86 65.31 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.883 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 65.6 ttt180 -90.85 -8.46 49.48 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.386 0.613 . . . . 0.0 110.152 -179.229 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' TRP . . . . . 0.584 ' NE1' HD13 ' B' ' 95' ' ' ILE . 11.3 t90 -60.95 -47.9 84.31 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.144 -0.935 . . . . 0.0 110.892 -178.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -73.71 -5.05 67.79 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.832 -0.699 . . . . 0.0 112.421 178.492 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 33.4 t -89.24 -8.47 53.41 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.038 0.447 . . . . 0.0 109.906 179.091 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 70.0 t -72.08 127.26 33.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.092 -0.504 . . . . 0.0 109.873 176.368 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -62.83 119.41 17.32 Favored Glycine 0 N--CA 1.442 -0.96 0 N-CA-C 110.292 -1.123 . . . . 0.0 110.292 174.563 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . 0.495 ' O ' ' HG3' ' A' ' 78' ' ' MET . 8.5 ptpp? -63.53 -23.41 67.38 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 120.584 0.231 . . . . 0.0 111.146 -172.949 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 21.6 tptm -66.01 -49.96 65.93 Favored 'General case' 0 C--N 1.331 -0.233 0 N-CA-C 109.654 -0.498 . . . . 0.0 109.654 173.102 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . 0.511 ' O ' HG13 ' A' ' 80' ' ' ILE . 18.5 tp10 -61.59 -40.63 95.45 Favored 'General case' 0 N--CA 1.453 -0.308 0 CA-C-N 115.648 -0.706 . . . . 0.0 109.442 176.605 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . 0.403 ' O ' HG12 ' A' ' 81' ' ' ILE . . . -55.82 -45.42 78.34 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.824 177.377 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' MET . . . . . 0.495 ' HG3' ' O ' ' A' ' 74' ' ' LYS . 66.5 mtt -57.56 -41.91 81.99 Favored 'General case' 0 C--O 1.236 0.364 0 CA-C-O 121.209 0.528 . . . . 0.0 110.481 177.578 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -69.02 -46.41 68.05 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.687 179.288 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . 0.511 HG13 ' O ' ' A' ' 76' ' ' GLU . 86.3 mt -58.26 -53.84 40.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.98 179.194 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . 0.42 HG13 ' HB2' ' B' ' 92' ' ' LEU . 44.6 mm -58.42 -38.77 71.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.025 -178.046 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . 0.43 ' HZ3' ' HB2' ' A' ' 82' ' ' LYS . 3.6 ttmp? -61.11 -51.87 67.29 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.707 177.892 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 53.0 mtmt -69.23 -28.57 66.47 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.961 -179.114 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . 0.444 ' O ' ' HG ' ' A' ' 88' ' ' LEU . 0.9 OUTLIER -65.5 -49.72 67.95 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.878 -0.601 . . . . 0.0 109.729 178.498 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -62.4 -32.57 73.42 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.673 178.098 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . 0.419 ' HB3' ' HZ3' ' A' ' 86' ' ' LYS . 3.8 mmmp? -65.57 -42.66 91.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.896 176.793 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -67.05 -39.16 86.85 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 109.608 -0.516 . . . . 0.0 109.608 179.354 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.444 ' HG ' ' O ' ' A' ' 84' ' ' PHE . 97.0 mt -63.77 -40.69 97.3 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.93 177.422 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -62.85 -42.29 99.68 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.593 178.555 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . 0.544 ' O ' HG13 ' A' ' 94' ' ' ILE . . . -67.15 -43.32 82.6 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.094 176.231 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' MET . . . . . 0.565 ' O ' HG12 ' A' ' 95' ' ' ILE . 37.7 ttm -53.01 -54.58 33.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.394 177.876 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.412 ' HB2' HG13 ' B' ' 81' ' ' ILE . 63.9 tp -52.32 -50.78 61.56 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.485 -0.78 . . . . 0.0 111.082 178.131 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 79.7 ttt180 -56.52 -43.27 79.62 Favored 'General case' 0 N--CA 1.445 -0.701 0 CA-C-N 115.253 -0.885 . . . . 0.0 111.265 -178.404 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . 0.612 ' O ' ' HG2' ' A' ' 98' ' ' ARG . 52.3 mt -73.2 -35.26 46.8 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.487 0 CA-C-N 116.473 -0.33 . . . . 0.0 111.226 -178.026 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . 0.607 HD13 ' NE1' ' B' ' 69' ' ' TRP . 25.2 mm -57.84 -42.91 83.25 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.338 0 CA-C-O 121.289 0.566 . . . . 0.0 109.575 175.023 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 94.6 m-20 -60.98 -38.83 87.36 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.334 -0.848 . . . . 0.0 110.518 176.799 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -80.29 -17.47 52.01 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.751 -178.479 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . 0.612 ' HG2' ' O ' ' A' ' 94' ' ' ILE . 3.7 mmp_? . . . . . 0 CA--C 1.519 -0.235 0 CA-C-O 121.103 0.478 . . . . 0.0 110.095 178.675 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 42' ' ' GLY . . . . . 0.724 ' HA3' ' SD ' ' B' ' 46' ' ' MET . . . . . . . . 0 N--CA 1.449 -0.459 0 N-CA-C 111.914 -0.474 . . . . 0.0 111.914 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 43' ' ' PRO . . . . . 0.44 ' O ' HG23 ' B' ' 47' ' ' VAL . 61.7 Cg_endo -74.37 -176.19 2.6 Favored 'Trans proline' 0 N--CA 1.461 -0.405 0 C-N-CA 122.268 1.979 . . . . 0.0 112.127 178.108 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 19.3 pt -57.38 -28.66 31.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-O 120.811 0.339 . . . . 0.0 111.785 -178.372 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 45' ' ' ARG . . . . . 0.407 ' HA ' HD12 ' B' ' 80' ' ' ILE . 96.8 mtt180 -62.52 -43.42 98.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.139 0.495 . . . . 0.0 110.614 176.643 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 46' ' ' MET . . . . . 0.724 ' SD ' ' HA3' ' B' ' 42' ' ' GLY . 55.1 mtt -73.74 -28.37 61.65 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.738 178.838 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 47' ' ' VAL . . . . . 0.44 HG23 ' O ' ' B' ' 43' ' ' PRO . 86.9 t -58.37 -49.07 83.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.733 0.301 . . . . 0.0 110.454 176.587 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 61.9 mt -65.8 -35.59 81.12 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.693 178.395 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -60.91 -47.74 85.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.976 175.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 50' ' ' ILE . . . . . 0.54 HG13 ' O ' ' B' ' 46' ' ' MET . 66.0 mt -65.07 -33.89 66.84 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.262 178.209 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 51' ' ' LEU . . . . . 0.549 ' O ' ' HG2' ' B' ' 55' ' ' ARG . 14.4 tp -62.31 -52.58 63.12 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.485 178.188 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.68 -38.69 82.24 Favored 'General case' 0 CA--C 1.518 -0.261 0 CA-C-O 120.895 0.379 . . . . 0.0 110.41 178.897 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 53' ' ' PHE . . . . . 0.441 ' HB3' ' O ' ' B' ' 50' ' ' ILE . 75.5 t80 -52.16 -57.64 9.01 Favored 'General case' 0 N--CA 1.451 -0.389 0 CA-C-N 115.591 -0.731 . . . . 0.0 109.319 172.686 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 54' ' ' LEU . . . . . 0.433 HD12 ' H ' ' B' ' 62' ' ' SER . 94.2 mt -69.6 -6.74 33.13 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.104 -0.498 . . . . 0.0 112.213 -178.439 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 55' ' ' ARG . . . . . 0.549 ' HG2' ' O ' ' B' ' 51' ' ' LEU . 36.3 mmt180 -85.57 -42.87 13.99 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.915 0.388 . . . . 0.0 110.928 175.534 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 56' ' ' PHE . . . . . . . . . . . . . 41.0 m-85 -100.39 -8.63 23.07 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 116.081 -0.508 . . . . 0.0 112.006 -176.383 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 57' ' ' THR . . . . . 0.494 ' HA ' ' HG2' ' A' ' 46' ' ' MET . 44.2 p -106.89 -12.48 15.46 Favored 'General case' 0 C--N 1.328 -0.347 0 C-N-CA 120.547 -0.461 . . . . 0.0 111.014 174.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -146.64 169.71 18.43 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.945 -173.766 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 59' ' ' ILE . . . . . . . . . . . . . 70.1 mt -104.37 -18.39 6.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-O 122.015 0.912 . . . . 0.0 110.482 -179.115 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 59.5 tptt -141.85 109.25 6.0 Favored Pre-proline 0 C--N 1.307 -1.263 0 CA-C-N 114.485 -1.234 . . . . 0.0 110.647 -178.622 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 61' ' ' PRO . . . . . . . . . . . . . 17.0 Cg_exo -67.94 154.06 73.75 Favored 'Trans proline' 0 C--O 1.233 0.248 0 C-N-CA 122.738 2.292 . . . . 0.0 111.772 175.703 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 62' ' ' SER . . . . . 0.433 ' H ' HD12 ' B' ' 54' ' ' LEU . 12.7 m -69.44 139.58 54.02 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.757 -179.746 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 84.8 mt -63.05 -21.96 66.52 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 115.413 -0.812 . . . . 0.0 112.242 -173.071 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -62.82 -45.52 95.54 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.656 -0.783 . . . . 0.0 111.607 175.837 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -66.39 -39.55 89.11 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 109.747 -0.464 . . . . 0.0 109.747 176.614 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 66' ' ' ILE . . . . . . . . . . . . . 50.4 mm -65.03 -34.32 69.76 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 115.805 -0.634 . . . . 0.0 111.023 179.643 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 67' ' ' ASN . . . . . . . . . . . . . 8.7 t30 -72.83 -34.47 66.85 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.904 179.882 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 68' ' ' ARG . . . . . . . . . . . . . 65.5 ttt180 -90.33 -8.49 50.66 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.416 0.626 . . . . 0.0 110.153 -179.026 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 69' ' ' TRP . . . . . 0.607 ' NE1' HD13 ' A' ' 95' ' ' ILE . 11.3 t90 -60.87 -47.93 84.13 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.204 -0.907 . . . . 0.0 110.978 -178.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . -74.39 -4.2 68.51 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.352 178.54 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 71' ' ' SER . . . . . . . . . . . . . 33.1 t -89.46 -8.66 52.48 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 120.915 0.388 . . . . 0.0 109.965 178.538 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 72' ' ' VAL . . . . . . . . . . . . . 74.2 t -71.66 127.76 33.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.13 -0.486 . . . . 0.0 109.786 176.523 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 73' ' ' GLY . . . . . . . . . . . . . . . -63.44 119.85 18.37 Favored Glycine 0 N--CA 1.443 -0.859 0 N-CA-C 110.225 -1.15 . . . . 0.0 110.225 174.69 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 74' ' ' LYS . . . . . 0.49 ' O ' ' HG3' ' B' ' 78' ' ' MET . 8.4 ptpp? -63.78 -23.29 67.3 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.69 0.245 . . . . 0.0 111.14 -173.01 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 75' ' ' LYS . . . . . . . . . . . . . 21.6 tptm -65.92 -50.23 65.16 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 109.664 -0.495 . . . . 0.0 109.664 173.007 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 76' ' ' GLU . . . . . 0.51 ' O ' HG13 ' B' ' 80' ' ' ILE . 19.5 tp10 -61.35 -40.67 95.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.692 -0.685 . . . . 0.0 109.458 176.475 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 77' ' ' ALA . . . . . . . . . . . . . . . -55.71 -45.43 77.9 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.771 177.509 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 78' ' ' MET . . . . . 0.49 ' HG3' ' O ' ' B' ' 74' ' ' LYS . 66.6 mtt -57.53 -42.08 82.17 Favored 'General case' 0 C--O 1.237 0.396 0 CA-C-O 121.149 0.5 . . . . 0.0 110.597 177.55 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 79' ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 -68.78 -46.68 68.09 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.683 -0.69 . . . . 0.0 110.634 179.19 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 80' ' ' ILE . . . . . 0.51 HG13 ' O ' ' B' ' 76' ' ' GLU . 86.3 mt -58.02 -54.07 37.11 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.006 179.216 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 81' ' ' ILE . . . . . 0.412 HG13 ' HB2' ' A' ' 92' ' ' LEU . 44.7 mm -58.29 -38.73 70.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.951 -178.105 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 82' ' ' LYS . . . . . 0.429 ' HZ3' ' HB2' ' B' ' 82' ' ' LYS . 3.7 ttmp? -61.22 -51.95 66.82 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.576 178.074 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 83' ' ' LYS . . . . . . . . . . . . . 53.0 mtmt -69.2 -28.35 66.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.015 -179.107 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 84' ' ' PHE . . . . . 0.465 ' O ' ' HG ' ' B' ' 88' ' ' LEU . 0.9 OUTLIER -65.68 -49.46 68.47 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.913 -0.585 . . . . 0.0 109.702 178.421 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 85' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -62.68 -32.4 73.46 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.651 178.223 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 86' ' ' LYS . . . . . 0.431 ' HB3' ' HZ3' ' B' ' 86' ' ' LYS . 3.8 mmmp? -65.97 -41.97 90.47 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.917 176.865 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 87' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -67.69 -38.88 84.28 Favored 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 109.637 -0.505 . . . . 0.0 109.637 179.239 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 88' ' ' LEU . . . . . 0.465 ' HG ' ' O ' ' B' ' 84' ' ' PHE . 97.3 mt -64.1 -40.53 96.43 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.961 177.336 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -62.85 -42.56 99.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.575 178.572 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 90' ' ' ALA . . . . . 0.543 ' O ' HG13 ' B' ' 94' ' ' ILE . . . -66.83 -43.6 83.34 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.162 176.194 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 91' ' ' MET . . . . . 0.577 ' O ' HG12 ' B' ' 95' ' ' ILE . 37.5 ttm -52.81 -54.49 33.53 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.606 -0.724 . . . . 0.0 110.359 177.894 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 92' ' ' LEU . . . . . 0.42 ' HB2' HG13 ' A' ' 81' ' ' ILE . 63.7 tp -52.55 -50.4 62.99 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.486 -0.779 . . . . 0.0 111.087 178.193 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 93' ' ' ARG . . . . . . . . . . . . . 79.7 ttt180 -56.94 -43.27 81.33 Favored 'General case' 0 N--CA 1.446 -0.674 0 CA-C-N 115.28 -0.873 . . . . 0.0 111.191 -178.313 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 94' ' ' ILE . . . . . 0.595 ' O ' ' HG2' ' B' ' 98' ' ' ARG . 51.5 mt -73.05 -35.54 48.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-N 116.456 -0.338 . . . . 0.0 111.224 -178.215 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 95' ' ' ILE . . . . . 0.584 HD13 ' NE1' ' A' ' 69' ' ' TRP . 25.1 mm -57.62 -43.29 83.15 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.368 0 CA-C-O 121.372 0.605 . . . . 0.0 109.512 175.019 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 96' ' ' ASN . . . . . . . . . . . . . 94.5 m-20 -60.59 -38.88 86.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.436 -0.802 . . . . 0.0 110.545 176.843 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 97' ' ' ALA . . . . . . . . . . . . . . . -80.17 -17.4 52.54 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.719 -178.461 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 98' ' ' ARG . . . . . 0.595 ' HG2' ' O ' ' B' ' 94' ' ' ILE . 3.7 mmp_? . . . . . 0 CA--C 1.518 -0.256 0 CA-C-O 121.18 0.514 . . . . 0.0 110.13 178.675 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.5 0 N-CA-C 112.304 -0.318 . . . . 0.0 112.304 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.447 ' O ' HG22 ' A' ' 47' ' ' VAL . 50.7 Cg_endo -69.48 -171.56 0.46 Allowed 'Trans proline' 0 CA--C 1.531 0.335 0 C-N-CA 122.825 2.35 . . . . 0.0 113.017 -179.844 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.477 HD12 ' OE1' ' A' ' 76' ' ' GLU . 2.6 pt -43.54 -50.91 1.39 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.554 0 N-CA-C 113.553 0.945 . . . . 0.0 113.553 -176.806 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . 0.585 ' HG3' ' SD ' ' A' ' 46' ' ' MET . 12.2 ptt180 -59.63 -42.81 93.54 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.864 0.364 . . . . 0.0 111.879 179.892 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' MET . . . . . 0.631 ' O ' HG13 ' A' ' 50' ' ' ILE . 1.6 mpt? -68.97 -28.22 66.42 Favored 'General case' 0 C--N 1.324 -0.533 0 C-N-CA 121.045 -0.262 . . . . 0.0 110.981 178.394 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.447 HG22 ' O ' ' A' ' 43' ' ' PRO . 94.6 t -60.91 -42.01 91.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 121.433 0.635 . . . . 0.0 109.339 176.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 5.6 tp -65.27 -38.77 91.33 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 114.958 -1.019 . . . . 0.0 110.467 178.389 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -68.17 -44.99 74.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.249 178.068 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.631 HG13 ' O ' ' A' ' 46' ' ' MET . 67.0 mt -63.9 -32.7 58.14 Favored 'Isoleucine or valine' 0 C--O 1.233 0.213 0 CA-C-O 121.135 0.493 . . . . 0.0 109.927 178.374 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.505 ' O ' ' HG2' ' A' ' 55' ' ' ARG . 12.5 tp -57.3 -58.56 7.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.693 -0.685 . . . . 0.0 110.195 175.847 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -57.2 -39.48 75.49 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.995 -179.551 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 84.8 t80 -52.85 -58.99 5.09 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.623 -0.717 . . . . 0.0 109.873 174.471 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.424 HD13 ' H ' ' A' ' 62' ' ' SER . 91.8 mt -68.19 -11.87 59.99 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.933 -177.95 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.505 ' HG2' ' O ' ' A' ' 51' ' ' LEU . 26.3 mmm180 -82.18 -40.25 22.01 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.724 0.297 . . . . 0.0 111.379 178.427 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . 0.525 ' CZ ' ' HA ' ' B' ' 84' ' ' PHE . 61.2 m-85 -105.88 -8.45 17.68 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.292 -0.413 . . . . 0.0 112.067 -175.616 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' THR . . . . . 0.438 ' HA ' ' HG3' ' B' ' 46' ' ' MET . 48.9 p -102.41 -32.06 10.17 Favored 'General case' 0 C--N 1.325 -0.499 0 C-N-CA 120.215 -0.594 . . . . 0.0 110.897 174.592 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -131.9 -179.41 5.38 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.107 -173.223 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 49.3 mm -115.64 120.72 65.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 N-CA-C 109.245 -0.65 . . . . 0.0 109.245 176.227 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 87.9 tttt 66.88 103.42 0.03 OUTLIER Pre-proline 0 C--O 1.232 0.176 0 O-C-N 123.994 0.808 . . . . 0.0 111.048 -177.515 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 33.2 Cg_exo -61.53 152.01 76.18 Favored 'Trans proline' 0 C--O 1.234 0.308 0 C-N-CA 122.844 2.362 . . . . 0.0 112.08 178.122 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' SER . . . . . 0.425 ' HB3' HD22 ' A' ' 65' ' ' LEU . 33.4 t -58.81 138.37 57.25 Favored 'General case' 0 C--O 1.236 0.39 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.495 178.838 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 82.9 mt -60.96 -23.59 65.45 Favored 'General case' 0 C--O 1.224 -0.258 0 CA-C-N 115.307 -0.861 . . . . 0.0 112.207 -172.462 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -61.73 -43.27 99.46 Favored Glycine 0 C--O 1.237 0.339 0 C-N-CA 120.305 -0.95 . . . . 0.0 111.624 176.118 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.425 HD22 ' HB3' ' A' ' 62' ' ' SER . 3.3 mm? -68.52 -38.79 81.18 Favored 'General case' 0 C--O 1.221 -0.434 0 N-CA-C 109.696 -0.483 . . . . 0.0 109.696 176.211 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 48.8 mm -64.47 -36.14 76.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 115.989 -0.55 . . . . 0.0 111.197 179.592 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 86.1 m-20 -71.19 -38.67 72.1 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.289 179.702 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 70.6 ttt180 -87.76 -8.4 56.06 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.547 0.689 . . . . 0.0 110.151 -179.582 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' TRP . . . . . 0.67 ' NE1' HD11 ' B' ' 95' ' ' ILE . 18.0 t90 -57.16 -41.71 79.7 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 114.935 -1.03 . . . . 0.0 110.898 -179.837 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -81.63 -1.34 90.13 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.65 -0.786 . . . . 0.0 112.629 -178.899 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 26.2 t -88.75 -12.89 40.91 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.758 0.313 . . . . 0.0 110.28 -179.379 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 30.3 t -63.33 143.42 15.61 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.433 0 N-CA-C 108.798 -0.815 . . . . 0.0 108.798 174.47 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . 0.476 ' C ' ' HG2' ' A' ' 74' ' ' LYS . . . -72.55 17.62 1.49 Allowed Glycine 0 C--O 1.223 -0.575 0 CA-C-O 118.908 -0.94 . . . . 0.0 114.565 -170.334 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . 0.476 ' HG2' ' C ' ' A' ' 73' ' ' GLY . 2.0 ptpp? 51.01 -65.68 0.0 OUTLIER 'General case' 0 N--CA 1.485 1.322 0 C-N-CA 125.114 1.366 . . . . 0.0 113.808 178.773 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . 0.471 ' N ' ' O ' ' A' ' 73' ' ' GLY . 1.3 tmtp? -54.94 -51.21 66.81 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 108.852 -0.796 . . . . 0.0 108.852 169.803 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . 0.477 ' OE1' HD12 ' A' ' 44' ' ' ILE . 9.9 tt0 -48.2 -47.08 35.61 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 114.291 -1.322 . . . . 0.0 110.73 171.733 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -61.49 -35.54 77.95 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.182 -179.198 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' MET . . . . . 0.428 ' HG3' ' O ' ' A' ' 74' ' ' LYS . 65.2 mtt -58.03 -44.8 87.55 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 109.82 -0.437 . . . . 0.0 109.82 176.861 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 27.5 mm-40 -64.51 -43.85 92.79 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.488 -0.778 . . . . 0.0 111.091 177.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . 0.445 HD11 ' HA ' ' A' ' 45' ' ' ARG . 73.3 mt -62.24 -52.21 63.03 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.851 179.218 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 40.8 mm -60.96 -35.01 62.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.782 -179.446 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . 0.483 ' HZ2' ' HB2' ' A' ' 82' ' ' LYS . 0.1 OUTLIER -60.71 -51.9 67.42 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.137 177.192 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 59.6 mtpt -65.42 -34.15 77.63 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.777 178.894 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . 0.526 ' O ' ' HG ' ' A' ' 88' ' ' LEU . 1.7 t80 -60.53 -52.18 66.28 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.738 -0.664 . . . . 0.0 110.029 179.248 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . 0.402 ' HZ3' ' HB2' ' B' ' 89' ' ' ALA . 98.2 mttt -63.61 -35.21 79.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.116 179.219 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -64.43 -45.17 88.69 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.896 178.367 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -67.63 -38.65 84.2 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.309 -0.405 . . . . 0.0 109.938 -178.237 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.526 ' HG ' ' O ' ' A' ' 84' ' ' PHE . 91.6 mt -60.46 -40.3 90.7 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.731 176.607 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . 0.486 ' O ' ' HG3' ' A' ' 93' ' ' ARG . . . -62.1 -46.83 87.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.925 -179.567 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . 0.468 ' O ' HG13 ' A' ' 94' ' ' ILE . . . -63.36 -47.47 82.0 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.816 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' MET . . . . . 0.541 ' O ' HG12 ' A' ' 95' ' ' ILE . 0.0 OUTLIER -61.15 -38.49 86.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.923 -0.58 . . . . 0.0 111.308 -179.622 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 51.5 tp -58.94 -46.44 87.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.132 0.491 . . . . 0.0 110.894 177.143 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . 0.486 ' HG3' ' O ' ' A' ' 89' ' ' ALA . 90.2 mtt180 -61.22 -36.0 78.74 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.635 -179.724 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . 0.583 ' O ' ' HG3' ' A' ' 98' ' ' ARG . 60.5 mt -69.03 -37.06 76.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.847 179.106 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . 0.665 HD11 ' NE1' ' B' ' 69' ' ' TRP . 25.9 mm -57.11 -45.57 84.29 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.214 0 CA-C-O 121.243 0.544 . . . . 0.0 109.962 176.608 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' ASN . . . . . 0.422 ' OD1' ' HB2' ' B' ' 74' ' ' LYS . 80.1 m-20 -60.34 -38.91 85.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.306 -0.861 . . . . 0.0 110.469 178.155 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -74.68 -2.62 27.07 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.746 -178.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . 0.583 ' HG3' ' O ' ' A' ' 94' ' ' ILE . 58.8 mtp180 . . . . . 0 C--N 1.328 -0.341 0 N-CA-C 111.807 0.299 . . . . 0.0 111.807 -179.616 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 42' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.535 0 CA-C-O 119.978 -0.346 . . . . 0.0 112.287 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 43' ' ' PRO . . . . . 0.44 ' O ' HG22 ' B' ' 47' ' ' VAL . 50.8 Cg_endo -69.79 -171.61 0.49 Allowed 'Trans proline' 0 CA--C 1.53 0.307 0 C-N-CA 122.911 2.407 . . . . 0.0 113.02 179.869 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 44' ' ' ILE . . . . . 0.453 HD12 ' OE1' ' B' ' 76' ' ' GLU . 2.6 pt -43.53 -51.22 1.35 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.544 0 N-CA-C 113.513 0.931 . . . . 0.0 113.513 -176.784 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 45' ' ' ARG . . . . . 0.579 ' HG3' ' SD ' ' B' ' 46' ' ' MET . 12.2 ptt180 -59.32 -42.93 92.55 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.859 0.362 . . . . 0.0 111.916 179.802 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 46' ' ' MET . . . . . 0.626 ' O ' HG13 ' B' ' 50' ' ' ILE . 1.5 mpt? -68.9 -28.28 66.54 Favored 'General case' 0 C--N 1.324 -0.542 0 C-N-CA 120.99 -0.284 . . . . 0.0 110.956 178.446 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 47' ' ' VAL . . . . . 0.44 HG22 ' O ' ' B' ' 43' ' ' PRO . 94.8 t -60.83 -41.98 90.71 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.23 0 CA-C-O 121.443 0.64 . . . . 0.0 109.363 177.049 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 5.6 tp -65.23 -38.85 91.7 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.007 -0.997 . . . . 0.0 110.453 178.39 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -68.13 -45.05 74.71 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.245 178.094 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 50' ' ' ILE . . . . . 0.626 HG13 ' O ' ' B' ' 46' ' ' MET . 66.8 mt -63.76 -32.78 58.29 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-O 121.064 0.459 . . . . 0.0 109.936 178.299 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 51' ' ' LEU . . . . . 0.503 ' O ' ' HG2' ' B' ' 55' ' ' ARG . 12.5 tp -57.28 -58.45 8.18 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.238 175.888 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -57.15 -39.56 75.48 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.019 -179.681 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 53' ' ' PHE . . . . . . . . . . . . . 84.9 t80 -52.78 -58.94 5.24 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.662 -0.699 . . . . 0.0 109.917 174.461 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 54' ' ' LEU . . . . . 0.426 HD13 ' H ' ' B' ' 62' ' ' SER . 92.1 mt -68.33 -11.6 59.77 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.997 -177.944 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 55' ' ' ARG . . . . . 0.503 ' HG2' ' O ' ' B' ' 51' ' ' LEU . 26.4 mmm180 -82.42 -40.3 21.41 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.868 0.366 . . . . 0.0 111.374 178.249 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 56' ' ' PHE . . . . . 0.516 ' CZ ' ' HA ' ' A' ' 84' ' ' PHE . 60.6 m-85 -105.57 -8.81 17.76 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 112.055 0.391 . . . . 0.0 112.055 -175.589 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 57' ' ' THR . . . . . 0.431 ' HA ' ' HG3' ' A' ' 46' ' ' MET . 47.8 p -102.15 -32.13 10.25 Favored 'General case' 0 C--N 1.325 -0.459 0 C-N-CA 120.252 -0.579 . . . . 0.0 110.979 174.773 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -131.88 -179.0 5.13 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.106 -173.377 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 59' ' ' ILE . . . . . . . . . . . . . 49.2 mm -115.8 120.97 66.34 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 N-CA-C 109.339 -0.615 . . . . 0.0 109.339 176.201 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 88.1 tttt 66.62 103.67 0.03 OUTLIER Pre-proline 0 N--CA 1.462 0.174 0 O-C-N 123.923 0.764 . . . . 0.0 111.082 -177.242 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 61' ' ' PRO . . . . . . . . . . . . . 31.4 Cg_exo -61.9 151.7 79.52 Favored 'Trans proline' 0 C--O 1.233 0.271 0 C-N-CA 122.83 2.353 . . . . 0.0 112.08 177.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 62' ' ' SER . . . . . 0.426 ' H ' HD13 ' B' ' 54' ' ' LEU . 33.0 t -58.68 139.03 56.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.487 178.896 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 83.9 mt -61.75 -23.36 66.11 Favored 'General case' 0 C--O 1.224 -0.257 0 CA-C-N 115.275 -0.875 . . . . 0.0 112.145 -172.157 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -61.77 -43.16 99.6 Favored Glycine 0 C--O 1.237 0.286 0 C-N-CA 120.368 -0.92 . . . . 0.0 111.633 175.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 65' ' ' LEU . . . . . 0.419 ' O ' ' HB2' ' B' ' 69' ' ' TRP . 3.3 mm? -68.68 -38.87 80.68 Favored 'General case' 0 C--O 1.221 -0.431 0 N-CA-C 109.689 -0.486 . . . . 0.0 109.689 176.157 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 66' ' ' ILE . . . . . . . . . . . . . 48.5 mm -64.24 -36.3 76.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.159 179.499 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 67' ' ' ASN . . . . . . . . . . . . . 86.2 m-20 -71.14 -38.69 72.25 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.272 179.801 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 68' ' ' ARG . . . . . . . . . . . . . 70.8 ttt180 -87.71 -8.34 56.22 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.475 0.655 . . . . 0.0 110.095 -179.559 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 69' ' ' TRP . . . . . 0.665 ' NE1' HD11 ' A' ' 95' ' ' ILE . 18.0 t90 -57.36 -41.6 80.43 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 114.971 -1.013 . . . . 0.0 110.863 -179.722 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . -81.82 -1.21 90.16 Favored Glycine 0 N--CA 1.45 -0.4 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.595 -178.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 71' ' ' SER . . . . . . . . . . . . . 22.8 t -89.03 -12.35 41.59 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.745 0.307 . . . . 0.0 110.343 -179.682 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 72' ' ' VAL . . . . . 0.404 ' C ' ' H ' ' B' ' 74' ' ' LYS . 30.9 t -63.5 143.65 15.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 N-CA-C 108.785 -0.821 . . . . 0.0 108.785 174.302 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 73' ' ' GLY . . . . . 0.468 ' C ' ' HG2' ' B' ' 74' ' ' LYS . . . -72.7 17.77 1.51 Allowed Glycine 0 C--O 1.225 -0.466 0 CA-C-O 118.765 -1.02 . . . . 0.0 114.52 -170.427 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 74' ' ' LYS . . . . . 0.468 ' HG2' ' C ' ' B' ' 73' ' ' GLY . 2.1 ptpp? 50.92 -65.76 0.0 OUTLIER 'General case' 0 N--CA 1.485 1.315 0 C-N-CA 125.23 1.412 . . . . 0.0 113.763 178.726 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 75' ' ' LYS . . . . . 0.462 ' N ' ' O ' ' B' ' 73' ' ' GLY . 1.3 tmtp? -54.76 -51.36 65.94 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 121.679 0.752 . . . . 0.0 108.986 169.655 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 76' ' ' GLU . . . . . 0.453 ' OE1' HD12 ' B' ' 44' ' ' ILE . 9.8 tt0 -47.84 -47.32 31.44 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 114.372 -1.285 . . . . 0.0 110.796 171.457 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 77' ' ' ALA . . . . . . . . . . . . . . . -61.32 -35.56 77.72 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.873 -0.603 . . . . 0.0 111.157 -179.186 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 78' ' ' MET . . . . . 0.423 ' HG3' ' O ' ' B' ' 74' ' ' LYS . 65.3 mtt -58.11 -44.88 87.94 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 109.868 -0.419 . . . . 0.0 109.868 176.885 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 79' ' ' GLU . . . . . . . . . . . . . 34.8 mm-40 -64.42 -43.99 92.63 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.529 -0.759 . . . . 0.0 111.044 177.842 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 80' ' ' ILE . . . . . 0.448 HD11 ' HA ' ' B' ' 45' ' ' ARG . 73.5 mt -61.96 -52.22 63.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.031 -0.532 . . . . 0.0 110.87 179.206 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 81' ' ' ILE . . . . . . . . . . . . . 40.7 mm -61.1 -34.84 61.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 115.976 -0.557 . . . . 0.0 110.791 -179.415 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 82' ' ' LYS . . . . . 0.468 ' HB2' ' HZ2' ' B' ' 82' ' ' LYS . 0.1 OUTLIER -60.96 -51.85 67.49 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.102 177.311 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 83' ' ' LYS . . . . . . . . . . . . . 60.2 mtpt -65.29 -34.39 78.23 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.711 178.755 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 84' ' ' PHE . . . . . 0.525 ' HA ' ' CZ ' ' A' ' 56' ' ' PHE . 1.6 t80 -60.31 -52.23 66.13 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.007 179.345 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 85' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -63.67 -35.25 79.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.925 -0.58 . . . . 0.0 111.153 179.295 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 86' ' ' LYS . . . . . . . . . . . . . 97.2 mttt -64.34 -45.09 89.37 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.995 178.285 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 87' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -67.64 -38.76 84.32 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.986 0.422 . . . . 0.0 110.071 -178.502 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 88' ' ' LEU . . . . . 0.52 ' HG ' ' O ' ' B' ' 84' ' ' PHE . 91.6 mt -60.35 -40.33 90.34 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.705 176.45 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 89' ' ' ALA . . . . . 0.478 ' O ' ' HG3' ' B' ' 93' ' ' ARG . . . -62.03 -46.8 87.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.896 -179.653 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 90' ' ' ALA . . . . . 0.476 ' O ' HG13 ' B' ' 94' ' ' ILE . . . -63.39 -47.28 82.66 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.884 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 91' ' ' MET . . . . . 0.533 ' O ' HG12 ' B' ' 95' ' ' ILE . 0.0 OUTLIER -61.34 -38.68 87.81 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.262 -179.556 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 92' ' ' LEU . . . . . . . . . . . . . 51.4 tp -58.82 -46.65 87.17 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.121 0.486 . . . . 0.0 110.847 177.217 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 93' ' ' ARG . . . . . 0.478 ' HG3' ' O ' ' B' ' 89' ' ' ALA . 90.4 mtt180 -61.03 -35.99 78.36 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.68 -179.765 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 94' ' ' ILE . . . . . 0.577 ' O ' ' HG3' ' B' ' 98' ' ' ARG . 60.5 mt -69.02 -36.93 76.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.805 179.124 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 95' ' ' ILE . . . . . 0.67 HD11 ' NE1' ' A' ' 69' ' ' TRP . 26.2 mm -57.32 -45.35 85.15 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.193 0 CA-C-O 121.24 0.543 . . . . 0.0 109.831 176.767 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 96' ' ' ASN . . . . . 0.417 ' OD1' ' HB2' ' A' ' 74' ' ' LYS . 78.9 m-20 -60.69 -38.63 85.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.291 -0.868 . . . . 0.0 110.506 178.248 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 97' ' ' ALA . . . . . . . . . . . . . . . -74.63 -3.22 29.89 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.888 -0.596 . . . . 0.0 111.648 -178.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 98' ' ' ARG . . . . . 0.577 ' HG3' ' O ' ' B' ' 94' ' ' ILE . 59.5 mtp180 . . . . . 0 C--N 1.329 -0.31 0 N-CA-C 111.761 0.282 . . . . 0.0 111.761 -179.521 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.402 0 N-CA-C 111.653 -0.579 . . . . 0.0 111.653 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.403 ' O ' HG21 ' A' ' 47' ' ' VAL . 51.5 Cg_exo -55.6 168.91 1.37 Allowed 'Trans proline' 0 CA--C 1.532 0.413 0 C-N-CA 123.147 2.565 . . . . 0.0 113.111 -179.606 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.54 ' HB ' HG13 ' A' ' 72' ' ' VAL . 24.9 pt -54.31 -41.48 52.89 Favored 'Isoleucine or valine' 0 C--O 1.243 0.724 0 N-CA-C 112.649 0.611 . . . . 0.0 112.649 -171.203 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . 0.487 ' HA ' ' CD1' ' A' ' 80' ' ' ILE . 55.9 mtp180 -61.93 -40.79 96.72 Favored 'General case' 0 C--O 1.236 0.364 0 CA-C-O 121.366 0.603 . . . . 0.0 110.17 177.647 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' MET . . . . . 0.641 ' O ' HG13 ' A' ' 50' ' ' ILE . 1.8 mpt? -68.21 -30.56 69.66 Favored 'General case' 0 C--O 1.219 -0.536 0 CA-C-N 115.509 -0.769 . . . . 0.0 110.601 177.312 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.403 HG21 ' O ' ' A' ' 43' ' ' PRO . 95.7 t -56.21 -47.41 80.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 N-CA-C 110.287 -0.264 . . . . 0.0 110.287 177.22 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 7.3 mp -65.46 -37.02 85.63 Favored 'General case' 0 C--N 1.33 -0.27 0 C-N-CA 120.71 -0.396 . . . . 0.0 111.328 176.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -64.14 -44.48 92.02 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.905 0.384 . . . . 0.0 110.976 177.32 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.641 HG13 ' O ' ' A' ' 46' ' ' MET . 59.5 mt -66.0 -34.66 71.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.024 178.222 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.519 HD22 ' NE1' ' A' ' 69' ' ' TRP . 4.5 tp -58.37 -54.86 42.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.464 175.839 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -54.8 -43.33 72.81 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.383 179.814 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 74.1 t80 -53.24 -59.83 4.07 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.55 -0.75 . . . . 0.0 109.956 174.044 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 95.7 mt -66.5 -8.71 28.3 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 112.639 0.607 . . . . 0.0 112.639 -175.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.465 ' HG2' ' O ' ' A' ' 51' ' ' LEU . 17.6 mmm180 -94.38 -40.67 9.81 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.856 0.36 . . . . 0.0 111.351 178.305 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 73.2 m-85 -94.34 -15.64 24.22 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.505 -177.325 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' THR . . . . . 0.458 ' HA ' ' HG3' ' B' ' 46' ' ' MET . 34.1 p -103.83 -33.42 8.89 Favored 'General case' 0 C--N 1.325 -0.468 0 C-N-CA 120.515 -0.474 . . . . 0.0 111.038 177.725 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -128.56 179.56 5.6 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.016 0.436 . . . . 0.0 111.206 -173.855 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 3.4 mp -116.23 122.26 69.31 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 N-CA-C 109.084 -0.71 . . . . 0.0 109.084 175.483 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 53.2 tttm 65.82 104.19 0.03 OUTLIER Pre-proline 0 C--O 1.234 0.284 0 O-C-N 123.829 0.706 . . . . 0.0 111.822 -178.462 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 22.3 Cg_exo -65.88 152.35 81.72 Favored 'Trans proline' 0 C--O 1.235 0.374 0 C-N-CA 122.699 2.266 . . . . 0.0 111.386 174.225 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 27.9 t -60.51 142.03 55.78 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.282 178.462 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 86.6 mt -64.55 -16.64 62.94 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.568 -0.742 . . . . 0.0 112.264 -172.538 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -65.15 -47.81 77.17 Favored Glycine 0 N--CA 1.449 -0.457 0 C-N-CA 120.613 -0.803 . . . . 0.0 111.326 174.166 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.428 ' O ' ' HB2' ' A' ' 69' ' ' TRP . 3.2 mm? -66.15 -36.39 82.99 Favored 'General case' 0 C--O 1.222 -0.351 0 N-CA-C 109.78 -0.452 . . . . 0.0 109.78 176.779 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 45.4 mm -64.02 -37.99 81.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.036 179.125 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 -65.79 -44.37 85.94 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.704 179.131 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 67.5 ttt180 -81.46 -17.9 47.1 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.0 0.428 . . . . 0.0 110.371 -177.548 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' TRP . . . . . 0.519 ' NE1' HD22 ' A' ' 51' ' ' LEU . 19.0 t90 -54.75 -53.06 60.05 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.403 -0.817 . . . . 0.0 110.772 177.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -82.33 15.61 28.09 Favored Glycine 0 N--CA 1.449 -0.443 0 C-N-CA 120.839 -0.696 . . . . 0.0 112.211 178.636 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 19.6 m -122.07 11.98 10.31 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.302 0.573 . . . . 0.0 110.082 179.034 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.54 HG13 ' HB ' ' A' ' 44' ' ' ILE . 46.1 t -81.93 -15.58 12.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 122.281 1.039 . . . . 0.0 111.12 -178.83 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 83.9 115.85 0.64 Allowed Glycine 0 C--N 1.302 -1.322 0 CA-C-N 114.203 -1.362 . . . . 0.0 110.019 -169.466 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . 0.611 ' O ' ' HG3' ' A' ' 78' ' ' MET . 9.8 ptpp? -63.84 -21.58 66.51 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.062 0.458 . . . . 0.0 110.056 -176.794 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 21.4 tptm -66.39 -54.82 20.03 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.082 172.75 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . 0.498 ' O ' HG13 ' A' ' 80' ' ' ILE . 14.5 tp10 -57.18 -43.23 82.45 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.441 -0.8 . . . . 0.0 109.68 176.813 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . 0.53 ' O ' HG12 ' A' ' 81' ' ' ILE . . . -55.58 -44.86 77.31 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.527 -0.761 . . . . 0.0 111.156 178.713 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' MET . . . . . 0.611 ' HG3' ' O ' ' A' ' 74' ' ' LYS . 67.8 mtt -58.15 -43.05 87.15 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-O 120.999 0.428 . . . . 0.0 110.541 178.6 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -68.62 -38.06 80.23 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.816 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . 0.498 HG13 ' O ' ' A' ' 76' ' ' GLU . 86.9 mt -63.28 -50.16 80.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.38 176.82 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . 0.53 HG12 ' O ' ' A' ' 77' ' ' ALA . 48.4 mm -60.52 -40.75 85.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.685 -179.861 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 24.8 ttmm -59.06 -50.97 72.06 Favored 'General case' 0 C--O 1.237 0.417 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.666 178.241 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 63.2 tttm -66.88 -38.95 87.27 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.523 179.872 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . 0.597 ' O ' ' HG ' ' A' ' 88' ' ' LEU . 0.3 OUTLIER -56.06 -52.67 63.43 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.015 -0.538 . . . . 0.0 110.302 -179.606 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -61.94 -36.2 80.7 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.917 179.658 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 39.7 ttmt -65.8 -48.63 71.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.615 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . 0.567 ' O ' ' HG2' ' A' ' 91' ' ' MET . 1.5 m-20 -63.39 -39.83 95.58 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.69 177.868 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.597 ' HG ' ' O ' ' A' ' 84' ' ' PHE . 85.0 mt -58.73 -43.08 90.08 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.903 0.382 . . . . 0.0 110.818 179.398 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -62.76 -41.49 99.24 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.6 178.424 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . 0.571 ' O ' HG13 ' A' ' 94' ' ' ILE . . . -65.49 -44.28 87.55 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.619 178.433 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' MET . . . . . 0.567 ' HG2' ' O ' ' A' ' 87' ' ' ASP . 25.6 mmt -61.33 -41.21 96.65 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.677 179.491 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 55.8 tp -57.6 -45.21 85.6 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.169 0.509 . . . . 0.0 110.496 177.871 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 96.5 mtt180 -60.87 -34.36 74.5 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.57 177.713 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . 0.571 HG13 ' O ' ' A' ' 90' ' ' ALA . 48.3 mt -73.92 -32.69 34.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.879 178.904 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . 0.495 HD12 ' NE1' ' B' ' 69' ' ' TRP . 18.5 mm -56.15 -43.07 74.99 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.287 0 CA-C-O 121.363 0.601 . . . . 0.0 109.562 174.283 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 35.0 m-80 -60.78 -43.07 98.53 Favored 'General case' 0 C--O 1.237 0.395 0 CA-C-N 115.298 -0.865 . . . . 0.0 110.357 174.588 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -68.51 -24.07 64.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.469 -0.787 . . . . 0.0 111.96 -178.508 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . 0.541 ' HG2' ' O ' ' A' ' 94' ' ' ILE . 27.1 mmm180 . . . . . 0 C--N 1.327 -0.412 0 CA-C-O 120.878 0.37 . . . . 0.0 111.012 -177.719 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 42' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.436 0 CA-C-O 119.474 -0.626 . . . . 0.0 111.539 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 43' ' ' PRO . . . . . . . . . . . . . 51.5 Cg_exo -55.78 168.74 1.56 Allowed 'Trans proline' 0 C--N 1.346 0.411 0 C-N-CA 123.168 2.578 . . . . 0.0 113.073 -179.629 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 44' ' ' ILE . . . . . 0.527 ' HB ' HG13 ' B' ' 72' ' ' VAL . 25.0 pt -54.07 -41.67 51.51 Favored 'Isoleucine or valine' 0 C--O 1.242 0.684 0 N-CA-C 112.665 0.617 . . . . 0.0 112.665 -171.245 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 45' ' ' ARG . . . . . 0.49 ' HA ' ' CD1' ' B' ' 80' ' ' ILE . 55.9 mtp180 -61.81 -40.9 96.88 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-O 121.339 0.59 . . . . 0.0 110.109 177.624 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 46' ' ' MET . . . . . 0.627 ' O ' HG13 ' B' ' 50' ' ' ILE . 1.8 mpt? -68.23 -30.47 69.54 Favored 'General case' 0 C--O 1.219 -0.525 0 CA-C-N 115.547 -0.752 . . . . 0.0 110.604 177.438 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 47' ' ' VAL . . . . . 0.41 ' HB ' ' O ' ' B' ' 44' ' ' ILE . 95.1 t -56.22 -47.46 80.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.63 0.252 . . . . 0.0 110.354 177.199 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 7.3 mp -65.36 -37.12 86.07 Favored 'General case' 0 N--CA 1.464 0.249 0 C-N-CA 120.752 -0.379 . . . . 0.0 111.344 176.746 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -64.02 -44.46 92.49 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.917 0.389 . . . . 0.0 111.036 177.248 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 50' ' ' ILE . . . . . 0.627 HG13 ' O ' ' B' ' 46' ' ' MET . 59.9 mt -65.91 -34.74 72.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.019 178.271 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 51' ' ' LEU . . . . . 0.517 HD22 ' NE1' ' B' ' 69' ' ' TRP . 4.5 tp -58.45 -54.81 42.84 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.442 175.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -54.65 -43.54 72.46 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-N 115.998 -0.547 . . . . 0.0 110.434 179.705 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 53' ' ' PHE . . . . . . . . . . . . . 74.1 t80 -53.12 -59.8 4.09 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.452 -0.795 . . . . 0.0 109.973 174.049 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 54' ' ' LEU . . . . . . . . . . . . . 95.7 mt -66.6 -8.51 27.64 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 112.576 0.584 . . . . 0.0 112.576 -175.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 55' ' ' ARG . . . . . 0.463 ' HG2' ' O ' ' B' ' 51' ' ' LEU . 17.6 mmm180 -94.81 -40.16 9.89 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.883 0.373 . . . . 0.0 111.475 178.328 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 56' ' ' PHE . . . . . . . . . . . . . 73.1 m-85 -94.86 -15.25 23.85 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.365 -0.379 . . . . 0.0 111.49 -177.529 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 57' ' ' THR . . . . . 0.452 ' HA ' ' HG3' ' A' ' 46' ' ' MET . 34.0 p -104.08 -33.52 8.74 Favored 'General case' 0 C--N 1.326 -0.448 0 C-N-CA 120.528 -0.469 . . . . 0.0 111.031 177.574 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -128.43 179.48 5.63 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.164 0.507 . . . . 0.0 111.134 -173.843 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 59' ' ' ILE . . . . . . . . . . . . . 3.3 mp -116.07 122.2 69.11 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-N 115.616 -0.72 . . . . 0.0 109.237 175.249 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 53.2 tttm 65.69 104.51 0.03 OUTLIER Pre-proline 0 C--O 1.234 0.276 0 O-C-N 123.919 0.762 . . . . 0.0 111.804 -178.305 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 61' ' ' PRO . . . . . . . . . . . . . 21.9 Cg_exo -66.13 151.8 82.78 Favored 'Trans proline' 0 C--O 1.236 0.394 0 C-N-CA 122.693 2.262 . . . . 0.0 111.467 174.044 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 24.6 t -59.88 141.64 55.07 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.262 178.458 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 87.2 mt -64.5 -16.41 62.47 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.644 -0.707 . . . . 0.0 112.069 -172.565 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -65.28 -47.44 80.02 Favored Glycine 0 N--CA 1.449 -0.439 0 C-N-CA 120.484 -0.865 . . . . 0.0 111.361 174.18 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 65' ' ' LEU . . . . . 0.421 ' O ' ' HB2' ' B' ' 69' ' ' TRP . 3.2 mm? -66.52 -36.46 82.75 Favored 'General case' 0 C--O 1.221 -0.424 0 N-CA-C 109.753 -0.462 . . . . 0.0 109.753 176.674 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 66' ' ' ILE . . . . . . . . . . . . . 45.4 mm -64.01 -37.71 80.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.044 179.184 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 67' ' ' ASN . . . . . . . . . . . . . 3.9 t-20 -66.03 -44.35 84.95 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.616 179.033 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 68' ' ' ARG . . . . . . . . . . . . . 67.2 ttt180 -81.35 -17.93 47.4 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.051 0.453 . . . . 0.0 110.4 -177.513 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 69' ' ' TRP . . . . . 0.517 ' NE1' HD22 ' B' ' 51' ' ' LEU . 19.0 t90 -54.86 -53.08 59.96 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.337 -0.847 . . . . 0.0 110.753 178.066 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . -81.87 15.0 28.71 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.82 -0.705 . . . . 0.0 112.168 178.54 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 71' ' ' SER . . . . . . . . . . . . . 19.9 m -121.97 12.63 10.47 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.106 0.479 . . . . 0.0 110.167 179.135 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 72' ' ' VAL . . . . . 0.527 HG13 ' HB ' ' B' ' 44' ' ' ILE . 45.1 t -82.49 -15.47 11.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-O 122.237 1.018 . . . . 0.0 111.074 -179.036 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 73' ' ' GLY . . . . . . . . . . . . . . . 83.83 115.92 0.63 Allowed Glycine 0 C--N 1.302 -1.317 0 CA-C-N 114.164 -1.38 . . . . 0.0 110.083 -169.51 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 74' ' ' LYS . . . . . 0.594 ' O ' ' HG3' ' B' ' 78' ' ' MET . 9.8 ptpp? -63.43 -21.96 66.6 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 117.033 0.417 . . . . 0.0 110.198 -176.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 75' ' ' LYS . . . . . . . . . . . . . 21.6 tptm -66.26 -54.84 20.19 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.031 172.805 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 76' ' ' GLU . . . . . 0.501 ' O ' HG13 ' B' ' 80' ' ' ILE . 13.9 tp10 -57.22 -42.98 82.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.483 -0.78 . . . . 0.0 109.698 176.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 77' ' ' ALA . . . . . 0.537 ' O ' HG12 ' B' ' 81' ' ' ILE . . . -55.74 -44.93 78.03 Favored 'General case' 0 N--CA 1.454 -0.25 0 CA-C-N 115.531 -0.759 . . . . 0.0 111.163 178.572 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 78' ' ' MET . . . . . 0.594 ' HG3' ' O ' ' B' ' 74' ' ' LYS . 68.0 mtt -58.0 -43.09 86.44 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-O 120.854 0.359 . . . . 0.0 110.525 178.665 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 79' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -68.53 -38.22 80.68 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.748 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 80' ' ' ILE . . . . . 0.501 HG13 ' O ' ' B' ' 76' ' ' GLU . 87.2 mt -63.3 -50.26 79.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.424 176.852 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 81' ' ' ILE . . . . . 0.537 HG12 ' O ' ' B' ' 77' ' ' ALA . 48.4 mm -60.44 -40.43 84.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.796 -179.906 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 82' ' ' LYS . . . . . . . . . . . . . 24.8 ttmm -59.43 -50.97 71.88 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.547 178.199 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 83' ' ' LYS . . . . . . . . . . . . . 63.1 tttm -66.85 -38.82 87.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.522 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 84' ' ' PHE . . . . . 0.595 ' O ' ' HG ' ' B' ' 88' ' ' LEU . 0.3 OUTLIER -56.24 -52.64 63.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.251 -179.51 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 85' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -61.8 -36.66 81.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.824 179.578 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 86' ' ' LYS . . . . . . . . . . . . . 39.6 ttmt -65.27 -49.16 70.65 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.708 179.812 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 87' ' ' ASP . . . . . 0.579 ' O ' ' HG2' ' B' ' 91' ' ' MET . 1.3 m-20 -63.09 -39.68 95.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.75 177.796 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 88' ' ' LEU . . . . . 0.595 ' HG ' ' O ' ' B' ' 84' ' ' PHE . 84.9 mt -58.79 -43.15 90.39 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-O 120.884 0.373 . . . . 0.0 110.824 179.368 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -62.86 -41.37 99.35 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.531 178.61 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 90' ' ' ALA . . . . . 0.565 ' O ' HG13 ' B' ' 94' ' ' ILE . . . -65.44 -44.39 87.44 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.673 178.357 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 91' ' ' MET . . . . . 0.579 ' HG2' ' O ' ' B' ' 87' ' ' ASP . 25.7 mmt -61.3 -41.14 96.49 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.681 179.402 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 92' ' ' LEU . . . . . . . . . . . . . 55.9 tp -57.58 -45.15 85.59 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.173 0.511 . . . . 0.0 110.506 177.737 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 93' ' ' ARG . . . . . . . . . . . . . 96.1 mtt180 -61.01 -34.33 74.66 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.521 177.785 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 94' ' ' ILE . . . . . 0.565 HG13 ' O ' ' B' ' 90' ' ' ALA . 48.0 mt -73.97 -32.59 33.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.783 178.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 95' ' ' ILE . . . . . 0.506 HD12 ' NE1' ' A' ' 69' ' ' TRP . 18.5 mm -56.19 -43.17 75.57 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.331 0 CA-C-O 121.337 0.589 . . . . 0.0 109.603 174.295 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 96' ' ' ASN . . . . . . . . . . . . . 35.3 m-80 -60.69 -42.98 98.23 Favored 'General case' 0 C--O 1.236 0.393 0 CA-C-N 115.288 -0.869 . . . . 0.0 110.346 174.629 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 97' ' ' ALA . . . . . . . . . . . . . . . -68.23 -24.95 64.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.5 -0.773 . . . . 0.0 111.933 -178.511 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 98' ' ' ARG . . . . . 0.536 ' HG2' ' O ' ' B' ' 94' ' ' ILE . 27.3 mmm180 . . . . . 0 C--N 1.327 -0.401 0 CA-C-O 120.92 0.391 . . . . 0.0 111.013 -177.447 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.445 -0.739 0 CA-C-O 120.148 -0.251 . . . . 0.0 112.525 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.539 ' HD2' ' SD ' ' A' ' 46' ' ' MET . 43.9 Cg_endo -68.51 174.15 8.78 Favored 'Trans proline' 0 N--CA 1.463 -0.281 0 C-N-CA 122.658 2.239 . . . . 0.0 111.792 175.365 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 21.3 pt -49.59 -39.83 14.53 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.416 0 N-CA-C 113.023 0.749 . . . . 0.0 113.023 -173.29 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . 0.414 ' HA ' HD13 ' A' ' 80' ' ' ILE . 98.5 mtt180 -63.73 -44.62 93.02 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 121.272 0.558 . . . . 0.0 110.826 179.545 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' MET . . . . . 0.555 ' HG2' ' HA ' ' B' ' 57' ' ' THR . 62.2 mtp -72.18 -23.29 61.25 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.971 179.764 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.504 HG23 ' O ' ' A' ' 43' ' ' PRO . 93.0 t -63.31 -48.01 89.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.418 -0.356 . . . . 0.0 110.294 175.258 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 64.6 mt -66.95 -32.74 74.2 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.474 -0.33 . . . . 0.0 110.688 178.274 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -64.77 -51.65 61.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.174 177.542 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.43 ' O ' ' HB3' ' A' ' 53' ' ' PHE . 15.0 tt -71.38 -24.08 23.52 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 CA-C-O 121.024 0.44 . . . . 0.0 110.295 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.409 ' O ' ' HG2' ' A' ' 55' ' ' ARG . 14.7 tp -60.59 -57.42 12.78 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.074 -0.512 . . . . 0.0 109.864 174.839 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -58.78 -38.06 77.68 Favored 'General case' 0 CA--C 1.519 -0.213 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.494 178.709 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . 0.477 ' HB2' ' HB2' ' B' ' 53' ' ' PHE . 43.0 t80 -51.3 -61.18 2.39 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.61 -0.723 . . . . 0.0 109.883 173.517 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.424 ' HB3' ' HA ' ' A' ' 61' ' ' PRO . 91.3 mt -68.12 -16.31 63.95 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.91 -177.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.409 ' HG2' ' O ' ' A' ' 51' ' ' LEU . 23.9 mmm180 -75.39 -46.31 33.75 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.023 0.44 . . . . 0.0 111.271 177.647 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . 0.609 ' CZ ' ' HA ' ' B' ' 84' ' ' PHE . 89.2 m-85 -96.24 -6.4 38.13 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.539 -174.645 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' THR . . . . . 0.562 ' HA ' ' HG2' ' B' ' 46' ' ' MET . 81.6 p -102.38 -34.36 9.21 Favored 'General case' 0 C--N 1.325 -0.484 0 C-N-CA 120.523 -0.471 . . . . 0.0 111.185 175.105 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -135.87 -176.61 4.36 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.575 -171.456 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 70.5 mt -116.19 127.6 73.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-N 115.719 -0.673 . . . . 0.0 109.913 178.523 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 86.0 tttt 57.32 83.74 0.22 Allowed Pre-proline 0 N--CA 1.465 0.305 0 O-C-N 123.649 0.593 . . . . 0.0 110.158 -177.647 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . 0.424 ' HA ' ' HB3' ' A' ' 54' ' ' LEU . 81.5 Cg_exo -40.84 -82.32 0.02 OUTLIER 'Trans proline' 0 C--N 1.348 0.549 0 C-N-CA 124.022 3.148 . . . . 0.0 114.778 -168.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' SER . . . . . 0.545 ' O ' HG12 ' A' ' 66' ' ' ILE . 71.2 m -166.75 135.84 2.9 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 109.346 -0.613 . . . . 0.0 109.346 -177.317 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -64.4 -31.19 72.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.573 -175.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -68.38 -40.34 87.03 Favored Glycine 0 C--O 1.237 0.342 0 C-N-CA 120.559 -0.829 . . . . 0.0 111.677 177.048 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.449 HD22 ' HB2' ' A' ' 62' ' ' SER . 4.5 mm? -67.79 -38.11 82.91 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 110.174 -0.306 . . . . 0.0 110.174 177.066 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.545 HG12 ' O ' ' A' ' 62' ' ' SER . 48.0 mm -66.48 -32.22 57.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 121.268 0.556 . . . . 0.0 110.339 176.715 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 27.1 t-20 -62.45 -43.71 98.16 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.684 176.685 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 42.3 ttm180 -85.25 -14.95 45.11 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.238 0.542 . . . . 0.0 110.467 -178.793 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' TRP . . . . . 0.508 ' NE1' HD11 ' B' ' 95' ' ' ILE . 13.7 t90 -56.76 -48.32 78.1 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.397 -0.819 . . . . 0.0 110.849 179.358 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -77.96 -3.05 83.96 Favored Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.886 -0.674 . . . . 0.0 112.49 178.581 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 22.7 t -91.45 -14.13 31.07 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 109.672 -0.492 . . . . 0.0 109.672 178.297 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 68.0 t -68.87 130.85 34.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 115.845 -0.616 . . . . 0.0 109.608 175.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -61.16 122.01 28.19 Favored Glycine 0 N--CA 1.44 -1.074 0 N-CA-C 110.456 -1.058 . . . . 0.0 110.456 175.747 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . 0.492 ' O ' ' HG2' ' A' ' 78' ' ' MET . 11.9 ptmm? -59.35 -31.62 69.37 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.692 0.246 . . . . 0.0 111.129 -176.056 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 51.4 tptt -64.34 -47.51 79.08 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.868 0.366 . . . . 0.0 110.13 173.648 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . 0.483 ' O ' HG13 ' A' ' 80' ' ' ILE . 27.9 tp10 -60.11 -44.82 94.59 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.689 -0.687 . . . . 0.0 109.604 177.758 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -57.09 -43.7 82.44 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.736 178.314 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' MET . . . . . 0.492 ' HG2' ' O ' ' A' ' 74' ' ' LYS . 68.9 mmm -55.83 -42.1 75.24 Favored 'General case' 0 C--O 1.235 0.341 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.751 177.579 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -73.61 -40.86 63.49 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.893 -179.722 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . 0.483 HG13 ' O ' ' A' ' 76' ' ' GLU . 89.9 mt -60.98 -50.77 79.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.574 178.164 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 45.9 mm -62.68 -36.63 76.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.018 -178.692 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . 0.42 ' O ' ' HD3' ' A' ' 86' ' ' LYS . 4.5 tmmm? -61.19 -53.48 56.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.94 0.4 . . . . 0.0 110.09 178.167 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 14.7 ptmm? -72.7 -19.98 61.31 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.588 -177.732 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . 0.621 ' HA ' ' CZ ' ' B' ' 56' ' ' PHE . 1.8 t80 -67.94 -52.36 37.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.949 -0.569 . . . . 0.0 109.645 177.448 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -61.9 -39.91 93.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.995 -179.709 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . 0.42 ' HD3' ' O ' ' A' ' 82' ' ' LYS . 5.8 mptp? -64.86 -37.28 87.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.588 -179.609 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -72.95 -37.17 67.21 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 109.854 -0.424 . . . . 0.0 109.854 178.593 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.494 ' HG ' ' O ' ' A' ' 84' ' ' PHE . 94.3 mt -59.48 -44.14 93.11 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.15 175.076 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . 0.535 ' O ' ' HG3' ' A' ' 93' ' ' ARG . . . -61.08 -45.49 94.53 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.733 178.322 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . 0.581 ' O ' HG13 ' A' ' 94' ' ' ILE . . . -60.44 -51.13 70.8 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.898 178.835 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' MET . . . . . 0.422 ' O ' HG12 ' A' ' 95' ' ' ILE . 74.7 mtm -62.8 -35.47 79.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.023 -179.433 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 58.2 tp -59.13 -47.43 85.31 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.045 0.45 . . . . 0.0 110.595 175.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . 0.535 ' HG3' ' O ' ' A' ' 89' ' ' ALA . 21.7 mtm180 -61.05 -32.58 72.21 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.466 178.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . 0.625 ' O ' ' HG2' ' A' ' 98' ' ' ARG . 25.4 mt -72.39 -32.46 42.31 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.372 0 C-N-CA 120.807 -0.357 . . . . 0.0 110.693 178.444 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . 0.505 HD11 ' NE1' ' B' ' 69' ' ' TRP . 15.7 mm -56.52 -44.48 80.7 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.424 0 N-CA-C 109.202 -0.666 . . . . 0.0 109.202 173.091 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' ASN . . . . . 0.403 ' HB2' ' O ' ' A' ' 93' ' ' ARG . 36.4 m-80 -57.36 -39.92 76.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.184 -0.916 . . . . 0.0 110.117 174.689 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -78.57 -8.31 58.47 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.505 -0.77 . . . . 0.0 112.55 -177.536 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . 0.625 ' HG2' ' O ' ' A' ' 94' ' ' ILE . 31.5 mmm180 . . . . . 0 C--N 1.329 -0.315 0 CA-C-O 120.974 0.416 . . . . 0.0 110.282 179.079 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 42' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.444 -0.813 0 CA-C-O 120.116 -0.269 . . . . 0.0 112.514 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 43' ' ' PRO . . . . . 0.549 ' HD2' ' SD ' ' B' ' 46' ' ' MET . 43.7 Cg_endo -68.48 173.96 9.03 Favored 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.609 2.206 . . . . 0.0 111.796 175.536 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 21.0 pt -49.61 -39.51 14.26 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.457 0 N-CA-C 113.08 0.77 . . . . 0.0 113.08 -173.033 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 45' ' ' ARG . . . . . 0.414 ' HA ' HD13 ' B' ' 80' ' ' ILE . 98.6 mtt180 -63.91 -44.66 92.27 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.244 0.545 . . . . 0.0 110.813 179.581 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 46' ' ' MET . . . . . 0.562 ' HG2' ' HA ' ' A' ' 57' ' ' THR . 62.5 mtp -72.13 -23.35 61.3 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.984 179.673 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 47' ' ' VAL . . . . . 0.493 HG23 ' O ' ' B' ' 43' ' ' PRO . 92.4 t -63.34 -47.92 89.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.429 -0.351 . . . . 0.0 110.326 175.198 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 64.8 mt -67.03 -32.73 74.14 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.502 -0.317 . . . . 0.0 110.684 178.218 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -64.72 -51.6 61.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.192 177.462 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 50' ' ' ILE . . . . . 0.421 ' O ' ' HB3' ' B' ' 53' ' ' PHE . 14.9 tt -71.46 -24.11 23.41 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-O 121.001 0.429 . . . . 0.0 110.287 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 51' ' ' LEU . . . . . 0.414 ' O ' ' HG2' ' B' ' 55' ' ' ARG . 14.6 tp -60.58 -57.29 13.34 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.129 -0.487 . . . . 0.0 109.829 174.848 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -58.82 -38.17 78.05 Favored 'General case' 0 CA--C 1.518 -0.286 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.459 178.691 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 53' ' ' PHE . . . . . 0.477 ' HB2' ' HB2' ' A' ' 53' ' ' PHE . 42.9 t80 -51.23 -61.1 2.44 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.633 -0.712 . . . . 0.0 109.834 173.569 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 54' ' ' LEU . . . . . 0.423 ' HB3' ' HA ' ' B' ' 61' ' ' PRO . 92.2 mt -68.22 -16.4 63.96 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.902 -177.804 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 55' ' ' ARG . . . . . 0.414 ' HG2' ' O ' ' B' ' 51' ' ' LEU . 23.9 mmm180 -75.4 -46.31 33.68 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.927 0.394 . . . . 0.0 111.272 177.634 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 56' ' ' PHE . . . . . 0.621 ' CZ ' ' HA ' ' A' ' 84' ' ' PHE . 89.4 m-85 -96.15 -6.38 38.48 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.59 -174.74 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 57' ' ' THR . . . . . 0.555 ' HA ' ' HG2' ' A' ' 46' ' ' MET . 81.7 p -102.19 -34.62 9.19 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.133 0.492 . . . . 0.0 111.211 175.041 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -135.56 -176.95 4.45 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.828 -0.624 . . . . 0.0 111.499 -171.267 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 59' ' ' ILE . . . . . . . . . . . . . 70.2 mt -116.14 127.6 73.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 115.715 -0.675 . . . . 0.0 109.856 178.55 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 86.0 tttt 57.1 83.99 0.21 Allowed Pre-proline 0 N--CA 1.465 0.296 0 O-C-N 123.58 0.55 . . . . 0.0 110.23 -177.46 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 61' ' ' PRO . . . . . 0.423 ' HA ' ' HB3' ' B' ' 54' ' ' LEU . 82.7 Cg_exo -40.83 -82.66 0.02 OUTLIER 'Trans proline' 0 C--N 1.348 0.547 0 C-N-CA 124.025 3.15 . . . . 0.0 114.8 -169.19 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 62' ' ' SER . . . . . 0.555 ' O ' HG12 ' B' ' 66' ' ' ILE . 72.5 m -166.55 136.17 3.1 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 109.3 -0.629 . . . . 0.0 109.3 -177.443 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -64.58 -31.19 72.3 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.538 -175.833 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -68.27 -40.76 87.36 Favored Glycine 0 N--CA 1.452 -0.237 0 C-N-CA 120.667 -0.777 . . . . 0.0 111.645 176.897 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 65' ' ' LEU . . . . . 0.443 HD22 ' HB2' ' B' ' 62' ' ' SER . 4.5 mm? -67.62 -38.11 83.45 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 110.086 -0.338 . . . . 0.0 110.086 177.192 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 66' ' ' ILE . . . . . 0.555 HG12 ' O ' ' B' ' 62' ' ' SER . 48.3 mm -66.43 -32.28 57.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 121.256 0.55 . . . . 0.0 110.322 176.721 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 67' ' ' ASN . . . . . . . . . . . . . 27.2 t-20 -62.34 -43.82 97.93 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.768 176.606 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 68' ' ' ARG . . . . . . . . . . . . . 42.3 ttm180 -85.26 -14.64 46.05 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.281 0.562 . . . . 0.0 110.491 -178.83 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 69' ' ' TRP . . . . . 0.505 ' NE1' HD11 ' A' ' 95' ' ' ILE . 14.0 t90 -57.11 -48.23 79.13 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.378 -0.828 . . . . 0.0 110.869 179.431 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . -78.08 -3.0 84.36 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.854 -0.689 . . . . 0.0 112.367 178.578 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 71' ' ' SER . . . . . . . . . . . . . 18.9 t -91.54 -14.07 30.97 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 109.68 -0.489 . . . . 0.0 109.68 178.37 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 72' ' ' VAL . . . . . . . . . . . . . 66.4 t -68.58 130.55 33.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 115.824 -0.625 . . . . 0.0 109.571 175.822 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 73' ' ' GLY . . . . . . . . . . . . . . . -60.77 121.95 28.21 Favored Glycine 0 N--CA 1.441 -0.971 0 N-CA-C 110.379 -1.089 . . . . 0.0 110.379 175.496 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 74' ' ' LYS . . . . . 0.497 ' O ' ' HG2' ' B' ' 78' ' ' MET . 11.8 ptmm? -59.56 -31.49 69.48 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.701 0.25 . . . . 0.0 111.203 -175.939 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 75' ' ' LYS . . . . . . . . . . . . . 51.2 tptt -64.36 -47.38 79.5 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.883 0.373 . . . . 0.0 110.203 173.646 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 76' ' ' GLU . . . . . 0.498 ' O ' HG13 ' B' ' 80' ' ' ILE . 26.7 tp10 -60.29 -44.52 95.3 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.697 -0.683 . . . . 0.0 109.716 177.602 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 77' ' ' ALA . . . . . 0.402 ' O ' HG12 ' B' ' 81' ' ' ILE . . . -57.3 -43.62 83.38 Favored 'General case' 0 N--CA 1.456 -0.146 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.785 178.296 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 78' ' ' MET . . . . . 0.497 ' HG2' ' O ' ' B' ' 74' ' ' LYS . 69.1 mmm -55.94 -42.29 75.95 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.675 177.669 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 79' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -73.31 -40.92 64.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.865 -179.685 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 80' ' ' ILE . . . . . 0.498 HG13 ' O ' ' B' ' 76' ' ' GLU . 90.3 mt -60.96 -50.76 79.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.524 178.227 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 81' ' ' ILE . . . . . 0.402 HG12 ' O ' ' B' ' 77' ' ' ALA . 46.0 mm -62.77 -36.49 75.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.039 -178.673 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 82' ' ' LYS . . . . . 0.407 ' O ' ' HD3' ' B' ' 86' ' ' LYS . 4.5 tmmm? -61.28 -53.65 54.08 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-O 120.986 0.422 . . . . 0.0 110.086 178.105 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 83' ' ' LYS . . . . . . . . . . . . . 14.7 ptmm? -72.42 -20.09 61.48 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.588 -177.873 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 84' ' ' PHE . . . . . 0.609 ' HA ' ' CZ ' ' A' ' 56' ' ' PHE . 1.8 t80 -67.84 -52.51 35.89 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.036 -0.529 . . . . 0.0 109.654 177.46 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 85' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -61.81 -39.95 93.56 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.979 -179.733 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 86' ' ' LYS . . . . . 0.407 ' HD3' ' O ' ' B' ' 82' ' ' LYS . 5.8 mptp? -64.62 -37.67 88.38 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.522 -179.643 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 87' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -72.73 -37.3 67.79 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.911 0.386 . . . . 0.0 109.964 178.733 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 88' ' ' LEU . . . . . 0.478 ' HG ' ' O ' ' B' ' 84' ' ' PHE . 94.2 mt -59.27 -43.89 92.46 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.868 -0.606 . . . . 0.0 110.161 175.067 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 89' ' ' ALA . . . . . 0.524 ' O ' ' HG3' ' B' ' 93' ' ' ARG . . . -61.3 -45.59 93.81 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.687 178.301 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 90' ' ' ALA . . . . . 0.587 ' O ' HG13 ' B' ' 94' ' ' ILE . . . -60.31 -50.95 71.61 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.843 178.881 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 91' ' ' MET . . . . . 0.428 ' O ' HG12 ' B' ' 95' ' ' ILE . 74.7 mtm -62.97 -35.63 80.8 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.922 -179.358 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 92' ' ' LEU . . . . . . . . . . . . . 58.0 tp -59.05 -47.49 85.03 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.498 176.09 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 93' ' ' ARG . . . . . 0.524 ' HG3' ' O ' ' B' ' 89' ' ' ALA . 21.7 mtm180 -61.04 -32.7 72.32 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.403 179.029 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 94' ' ' ILE . . . . . 0.631 ' O ' ' HG2' ' B' ' 98' ' ' ARG . 26.0 mt -72.2 -32.57 43.55 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.386 0 C-N-CA 120.816 -0.354 . . . . 0.0 110.672 178.564 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 95' ' ' ILE . . . . . 0.508 HD11 ' NE1' ' A' ' 69' ' ' TRP . 15.7 mm -56.43 -44.66 80.8 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.432 0 CA-C-O 121.485 0.659 . . . . 0.0 109.225 173.209 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 96' ' ' ASN . . . . . 0.415 ' HB2' ' O ' ' B' ' 93' ' ' ARG . 37.5 m-80 -57.11 -40.07 76.31 Favored 'General case' 0 C--O 1.235 0.334 0 CA-C-N 115.148 -0.933 . . . . 0.0 110.15 174.548 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 97' ' ' ALA . . . . . . . . . . . . . . . -78.59 -8.17 58.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.551 -0.749 . . . . 0.0 112.516 -177.577 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 98' ' ' ARG . . . . . 0.631 ' HG2' ' O ' ' B' ' 94' ' ' ILE . 31.6 mmm180 . . . . . 0 C--N 1.327 -0.395 0 CA-C-O 120.923 0.392 . . . . 0.0 110.276 178.826 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.445 -0.708 0 N-CA-C 111.734 -0.547 . . . . 0.0 111.734 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.555 ' O ' HG23 ' A' ' 47' ' ' VAL . 24.3 Cg_exo -64.94 165.25 21.93 Favored 'Trans proline' 0 C--N 1.344 0.303 0 C-N-CA 122.831 2.354 . . . . 0.0 111.696 176.322 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.416 HG13 ' HD3' ' A' ' 45' ' ' ARG . 12.1 pt -57.23 -35.09 47.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 N-CA-C 112.432 0.53 . . . . 0.0 112.432 -172.366 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . 0.416 ' HD3' HG13 ' A' ' 44' ' ' ILE . 0.1 OUTLIER -61.88 -48.85 78.64 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-O 121.166 0.507 . . . . 0.0 110.148 175.965 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' MET . . . . . 0.529 ' O ' HG13 ' A' ' 50' ' ' ILE . 55.3 ttm -62.75 -33.24 74.74 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.73 179.243 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.555 HG23 ' O ' ' A' ' 43' ' ' PRO . 97.0 t -59.51 -46.24 93.12 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.504 -0.316 . . . . 0.0 110.817 178.225 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 10.3 mp -65.56 -31.9 73.19 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.773 0.321 . . . . 0.0 110.951 177.742 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -67.32 -45.84 75.27 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.771 176.413 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.529 HG13 ' O ' ' A' ' 46' ' ' MET . 58.8 mt -65.92 -35.62 75.55 Favored 'Isoleucine or valine' 0 C--O 1.233 0.207 0 CA-C-O 121.226 0.536 . . . . 0.0 109.727 176.933 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.4 HD21 ' NE1' ' A' ' 69' ' ' TRP . 9.0 tp -57.1 -55.25 37.14 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.381 -0.827 . . . . 0.0 110.507 175.719 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -57.02 -36.22 70.18 Favored 'General case' 0 C--O 1.232 0.136 0 CA-C-O 121.148 0.499 . . . . 0.0 110.731 -179.767 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 89.2 t80 -60.18 -58.13 9.86 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.672 -0.695 . . . . 0.0 109.899 176.63 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 85.8 mt -69.86 -6.38 32.22 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.521 -179.268 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 29.1 tpt180 -92.45 -36.5 13.07 Favored 'General case' 0 N--CA 1.427 -1.623 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.882 -178.804 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 81.2 m-85 -103.85 -24.06 13.33 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 112.146 0.425 . . . . 0.0 112.146 -177.099 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 42.5 p -89.4 -27.18 20.6 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.255 0.55 . . . . 0.0 110.047 178.796 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -135.53 -179.55 5.71 Favored 'General case' 0 N--CA 1.449 -0.522 0 CA-C-N 115.495 -0.775 . . . . 0.0 110.859 -174.872 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 65.5 mt -119.85 129.85 74.91 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-N 115.902 -0.59 . . . . 0.0 109.507 176.404 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 26.2 tptp 66.99 92.19 0.07 OUTLIER Pre-proline 0 C--O 1.233 0.213 0 O-C-N 123.922 0.764 . . . . 0.0 110.962 -178.458 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 31.2 Cg_exo -60.18 150.33 80.16 Favored 'Trans proline' 0 C--O 1.237 0.473 0 C-N-CA 123.015 2.477 . . . . 0.0 112.36 178.543 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 16.4 m -59.96 142.9 52.96 Favored 'General case' 0 C--O 1.236 0.371 0 CA-C-N 115.442 -0.799 . . . . 0.0 111.282 -178.693 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 95.4 mt -60.15 -28.25 67.75 Favored 'General case' 0 C--O 1.223 -0.316 0 CA-C-N 114.997 -1.001 . . . . 0.0 112.668 -172.767 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -61.25 -43.48 99.33 Favored Glycine 0 C--O 1.237 0.29 0 C-N-CA 120.384 -0.912 . . . . 0.0 111.71 178.179 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.478 ' O ' ' HB2' ' A' ' 69' ' ' TRP . 3.9 mm? -67.76 -38.38 83.39 Favored 'General case' 0 C--O 1.22 -0.477 0 N-CA-C 109.882 -0.414 . . . . 0.0 109.882 176.639 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 50.8 mm -66.82 -38.0 80.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.339 -179.745 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 6.5 m120 -66.64 -37.83 85.64 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.376 -0.374 . . . . 0.0 111.119 178.718 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 34.7 ttm180 -83.45 -19.8 35.22 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.138 0.494 . . . . 0.0 110.193 177.878 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' TRP . . . . . 0.577 ' NE1' HD12 ' B' ' 95' ' ' ILE . 11.6 t90 -58.52 -48.87 79.42 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.317 -0.856 . . . . 0.0 110.324 177.032 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -75.83 -5.14 78.73 Favored Glycine 0 N--CA 1.451 -0.363 0 CA-C-N 115.824 -0.625 . . . . 0.0 112.363 176.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 24.9 t -92.39 -17.78 24.17 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 109.782 -0.451 . . . . 0.0 109.782 178.432 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 84.4 t -63.66 135.5 27.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.187 177.259 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -57.55 122.39 29.09 Favored Glycine 0 N--CA 1.438 -1.202 0 N-CA-C 110.285 -1.126 . . . . 0.0 110.285 173.743 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . 0.567 ' O ' ' HG2' ' A' ' 78' ' ' MET . 48.4 mttp -60.72 -35.97 77.68 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-O 120.931 0.396 . . . . 0.0 110.164 -175.407 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 56.6 tptt -63.98 -45.15 90.32 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.416 -0.811 . . . . 0.0 110.379 174.458 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . 0.513 ' O ' HG13 ' A' ' 80' ' ' ILE . 4.0 tp10 -59.68 -47.47 85.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.531 -0.759 . . . . 0.0 109.81 178.399 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -54.97 -41.84 71.65 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.926 179.175 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' MET . . . . . 0.567 ' HG2' ' O ' ' A' ' 74' ' ' LYS . 64.1 mmm -57.66 -47.64 81.72 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.322 178.474 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 28.8 mt-10 -69.79 -37.18 76.23 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.847 -179.1 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . 0.513 HG13 ' O ' ' A' ' 76' ' ' GLU . 96.7 mt -61.69 -52.38 61.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.689 178.066 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . 0.411 HG13 ' HB2' ' B' ' 92' ' ' LEU . 45.6 mm -60.37 -37.03 72.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.904 -179.016 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 39.6 ttpt -61.83 -48.88 78.56 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.766 177.592 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 35.0 mmtp -69.96 -32.06 70.1 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.681 178.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . 0.472 ' O ' ' HG ' ' A' ' 88' ' ' LEU . 2.1 t80 -61.77 -52.59 63.61 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.812 -0.631 . . . . 0.0 109.818 179.435 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 99.7 mttt -59.61 -39.08 83.08 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.74 178.392 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 59.5 tttm -63.34 -42.23 98.92 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.805 -0.634 . . . . 0.0 111.192 -179.336 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -73.35 -33.87 65.32 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 110.018 -0.364 . . . . 0.0 110.018 -178.524 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.472 ' HG ' ' O ' ' A' ' 84' ' ' PHE . 90.8 mt -58.86 -42.55 89.68 Favored 'General case' 0 CA--C 1.52 -0.188 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.052 173.461 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . 0.485 ' O ' ' HG3' ' A' ' 93' ' ' ARG . . . -58.96 -44.1 91.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.687 177.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . 0.555 ' O ' HG13 ' A' ' 94' ' ' ILE . . . -61.43 -50.47 72.7 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.813 178.529 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 76.3 mtm -63.87 -35.08 79.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.181 -178.58 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 57.6 tp -59.59 -44.52 93.34 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.219 0.533 . . . . 0.0 110.589 176.293 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . 0.485 ' HG3' ' O ' ' A' ' 89' ' ' ALA . 20.7 mtm180 -67.01 -29.78 69.71 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.7 -179.588 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . 0.555 HG13 ' O ' ' A' ' 90' ' ' ALA . 45.2 mt -72.81 -33.03 42.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.719 -0.219 . . . . 0.0 110.86 177.733 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . 0.614 HD12 ' NE1' ' B' ' 69' ' ' TRP . 20.0 mm -57.87 -49.82 79.82 Favored 'Isoleucine or valine' 0 C--O 1.232 0.162 0 CA-C-O 121.538 0.685 . . . . 0.0 109.186 172.926 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 41.1 m-80 -67.55 -25.24 65.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.004 -0.998 . . . . 0.0 110.877 179.466 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -71.32 -12.54 61.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.056 0.455 . . . . 0.0 110.977 -179.844 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . 0.415 ' HG2' ' O ' ' A' ' 94' ' ' ILE . 26.3 mmt180 . . . . . 0 C--N 1.327 -0.376 0 CA-C-O 120.98 0.419 . . . . 0.0 110.159 177.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 42' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.445 -0.719 0 N-CA-C 111.88 -0.488 . . . . 0.0 111.88 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 43' ' ' PRO . . . . . 0.551 ' O ' HG23 ' B' ' 47' ' ' VAL . 24.0 Cg_exo -65.12 165.3 22.26 Favored 'Trans proline' 0 C--N 1.344 0.342 0 C-N-CA 122.842 2.362 . . . . 0.0 111.695 176.352 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 44' ' ' ILE . . . . . 0.423 HG13 ' HD3' ' B' ' 45' ' ' ARG . 12.6 pt -57.32 -35.01 47.51 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 N-CA-C 112.41 0.522 . . . . 0.0 112.41 -172.218 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 45' ' ' ARG . . . . . 0.423 ' HD3' HG13 ' B' ' 44' ' ' ILE . 0.1 OUTLIER -61.87 -48.82 78.78 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-O 121.181 0.515 . . . . 0.0 110.144 175.931 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 46' ' ' MET . . . . . 0.526 ' O ' HG13 ' B' ' 50' ' ' ILE . 55.5 ttm -62.95 -33.11 74.66 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.701 179.304 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 47' ' ' VAL . . . . . 0.551 HG23 ' O ' ' B' ' 43' ' ' PRO . 99.4 t -59.46 -46.28 92.94 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.493 -0.321 . . . . 0.0 110.807 178.019 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 10.3 mp -65.6 -31.81 73.05 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.796 0.332 . . . . 0.0 111.016 177.878 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -67.28 -46.01 74.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.749 176.389 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 50' ' ' ILE . . . . . 0.526 HG13 ' O ' ' B' ' 46' ' ' MET . 58.4 mt -65.82 -35.59 75.51 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-O 121.211 0.529 . . . . 0.0 109.723 176.861 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 51' ' ' LEU . . . . . 0.41 HD21 ' NE1' ' B' ' 69' ' ' TRP . 9.0 tp -57.18 -55.24 37.26 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.394 -0.821 . . . . 0.0 110.474 175.774 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -57.04 -36.19 70.19 Favored 'General case' 0 C--O 1.231 0.13 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.736 -179.789 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 53' ' ' PHE . . . . . . . . . . . . . 89.4 t80 -60.27 -58.05 10.19 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.674 -0.694 . . . . 0.0 109.864 176.661 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 54' ' ' LEU . . . . . . . . . . . . . 85.6 mt -69.83 -6.39 32.12 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.575 -179.329 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 55' ' ' ARG . . . . . . . . . . . . . 29.2 tpt180 -92.44 -36.56 13.04 Favored 'General case' 0 N--CA 1.426 -1.628 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.966 -178.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 56' ' ' PHE . . . . . . . . . . . . . 81.0 m-85 -103.72 -24.14 13.37 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 112.12 0.415 . . . . 0.0 112.12 -176.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 57' ' ' THR . . . . . . . . . . . . . 41.2 p -89.33 -27.37 20.55 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.122 0.487 . . . . 0.0 109.999 178.823 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -135.59 179.78 6.12 Favored 'General case' 0 N--CA 1.449 -0.512 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.831 -174.739 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 59' ' ' ILE . . . . . . . . . . . . . 65.0 mt -119.12 130.06 74.38 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 CA-C-N 115.944 -0.571 . . . . 0.0 109.58 176.278 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 26.3 tptp 67.0 92.36 0.07 OUTLIER Pre-proline 0 CA--C 1.53 0.21 0 O-C-N 123.938 0.774 . . . . 0.0 110.96 -178.453 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 61' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_exo -60.35 150.13 82.14 Favored 'Trans proline' 0 C--O 1.236 0.385 0 C-N-CA 122.942 2.428 . . . . 0.0 112.189 178.436 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 14.5 m -60.12 143.15 52.93 Favored 'General case' 0 C--O 1.237 0.396 0 CA-C-N 115.346 -0.843 . . . . 0.0 111.297 -178.612 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 95.3 mt -60.45 -28.18 68.11 Favored 'General case' 0 C--O 1.225 -0.223 0 CA-C-N 115.01 -0.995 . . . . 0.0 112.707 -172.321 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -61.78 -43.23 99.51 Favored Glycine 0 C--O 1.236 0.281 0 C-N-CA 120.381 -0.914 . . . . 0.0 111.651 178.465 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 65' ' ' LEU . . . . . 0.48 ' O ' ' HB2' ' B' ' 69' ' ' TRP . 3.9 mm? -67.54 -38.42 84.17 Favored 'General case' 0 C--O 1.221 -0.441 0 N-CA-C 109.849 -0.426 . . . . 0.0 109.849 176.474 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 66' ' ' ILE . . . . . . . . . . . . . 50.7 mm -66.98 -37.95 80.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.407 -179.709 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 67' ' ' ASN . . . . . . . . . . . . . 6.5 m120 -66.6 -37.73 85.5 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.33 -0.396 . . . . 0.0 111.178 178.546 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 68' ' ' ARG . . . . . . . . . . . . . 34.6 ttm180 -83.61 -19.95 34.57 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.11 0.481 . . . . 0.0 110.048 177.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 69' ' ' TRP . . . . . 0.614 ' NE1' HD12 ' A' ' 95' ' ' ILE . 11.4 t90 -58.47 -48.67 79.98 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.284 -0.871 . . . . 0.0 110.281 177.035 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . -76.5 -4.38 80.3 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.895 -0.669 . . . . 0.0 112.258 177.085 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 71' ' ' SER . . . . . . . . . . . . . 26.0 t -92.49 -18.21 23.49 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 109.635 -0.505 . . . . 0.0 109.635 178.222 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 72' ' ' VAL . . . . . . . . . . . . . 85.8 t -63.49 135.81 27.07 Favored 'Isoleucine or valine' 0 C--O 1.235 0.3 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.137 177.579 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 73' ' ' GLY . . . . . . . . . . . . . . . -58.0 122.41 29.44 Favored Glycine 0 N--CA 1.44 -1.06 0 N-CA-C 110.328 -1.109 . . . . 0.0 110.328 173.856 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 74' ' ' LYS . . . . . 0.561 ' O ' ' HG2' ' B' ' 78' ' ' MET . 48.2 mttp -60.79 -35.91 77.65 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-O 120.988 0.423 . . . . 0.0 110.054 -175.145 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 75' ' ' LYS . . . . . . . . . . . . . 56.8 tptt -63.98 -45.22 90.06 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.394 -0.821 . . . . 0.0 110.399 174.485 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 76' ' ' GLU . . . . . 0.531 ' O ' HG13 ' B' ' 80' ' ' ILE . 4.0 tp10 -59.49 -47.33 85.9 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.559 -0.746 . . . . 0.0 109.892 178.296 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 77' ' ' ALA . . . . . . . . . . . . . . . -55.23 -41.69 72.42 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.997 179.235 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 78' ' ' MET . . . . . 0.561 ' HG2' ' O ' ' B' ' 74' ' ' LYS . 63.3 mmm -57.71 -47.49 82.24 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.351 178.453 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 79' ' ' GLU . . . . . . . . . . . . . 29.9 mt-10 -69.81 -37.31 76.22 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.544 -0.753 . . . . 0.0 110.769 -179.123 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 80' ' ' ILE . . . . . 0.531 HG13 ' O ' ' B' ' 76' ' ' GLU . 97.0 mt -61.84 -52.28 62.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.706 178.276 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 81' ' ' ILE . . . . . . . . . . . . . 45.8 mm -60.42 -36.8 71.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.934 -179.155 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 82' ' ' LYS . . . . . . . . . . . . . 39.7 ttpt -62.0 -48.92 78.16 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.709 177.524 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 83' ' ' LYS . . . . . . . . . . . . . 34.9 mmtp -70.08 -31.85 69.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.732 179.03 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 84' ' ' PHE . . . . . 0.473 ' O ' ' HG ' ' B' ' 88' ' ' LEU . 2.1 t80 -61.78 -52.63 63.43 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.787 -0.642 . . . . 0.0 109.748 179.375 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 85' ' ' LYS . . . . . . . . . . . . . 99.7 mttt -59.9 -38.73 83.13 Favored 'General case' 0 C--O 1.233 0.218 0 CA-C-N 115.916 -0.583 . . . . 0.0 110.75 178.522 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 86' ' ' LYS . . . . . . . . . . . . . 59.4 tttm -63.41 -42.59 98.76 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.874 -0.603 . . . . 0.0 111.153 -179.591 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 87' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -72.86 -34.1 66.52 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.826 0.346 . . . . 0.0 110.103 -178.495 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 88' ' ' LEU . . . . . 0.473 ' HG ' ' O ' ' B' ' 84' ' ' PHE . 91.2 mt -58.75 -42.57 89.16 Favored 'General case' 0 CA--C 1.521 -0.155 0 CA-C-N 115.927 -0.578 . . . . 0.0 110.021 173.531 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 89' ' ' ALA . . . . . 0.489 ' O ' ' HG3' ' B' ' 93' ' ' ARG . . . -59.03 -44.12 91.7 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.582 -0.736 . . . . 0.0 110.563 178.072 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 90' ' ' ALA . . . . . 0.553 ' O ' HG13 ' B' ' 94' ' ' ILE . . . -61.55 -50.41 72.76 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.77 178.66 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 91' ' ' MET . . . . . . . . . . . . . 75.8 mtm -63.88 -35.13 79.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.168 -178.616 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 92' ' ' LEU . . . . . 0.411 ' HB2' HG13 ' A' ' 81' ' ' ILE . 57.4 tp -59.41 -44.65 92.8 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.207 0.527 . . . . 0.0 110.626 176.372 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 93' ' ' ARG . . . . . 0.489 ' HG3' ' O ' ' B' ' 89' ' ' ALA . 20.7 mtm180 -66.77 -30.22 70.37 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.675 -179.455 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 94' ' ' ILE . . . . . 0.553 HG13 ' O ' ' B' ' 90' ' ' ALA . 45.1 mt -72.43 -33.09 44.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.61 -0.268 . . . . 0.0 110.913 177.761 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 95' ' ' ILE . . . . . 0.577 HD12 ' NE1' ' A' ' 69' ' ' TRP . 19.9 mm -57.87 -50.0 79.2 Favored 'Isoleucine or valine' 0 C--O 1.232 0.183 0 CA-C-O 121.645 0.736 . . . . 0.0 109.1 172.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 96' ' ' ASN . . . . . . . . . . . . . 42.0 m-80 -67.49 -25.44 65.86 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 114.978 -1.01 . . . . 0.0 110.934 179.49 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 97' ' ' ALA . . . . . . . . . . . . . . . -70.94 -13.07 61.88 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.924 0.392 . . . . 0.0 110.91 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 98' ' ' ARG . . . . . 0.426 ' HG2' ' O ' ' B' ' 94' ' ' ILE . 26.5 mmt180 . . . . . 0 C--N 1.327 -0.395 0 CA-C-O 120.983 0.421 . . . . 0.0 110.176 178.067 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.445 -0.712 0 CA-C-O 120.322 -0.154 . . . . 0.0 112.783 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.623 ' HD2' ' SD ' ' A' ' 46' ' ' MET . 37.6 Cg_endo -66.69 176.8 3.93 Favored 'Trans proline' 0 C--N 1.343 0.272 0 C-N-CA 122.632 2.221 . . . . 0.0 111.497 175.049 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 23.0 pt -52.54 -38.85 27.56 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.381 0 N-CA-C 112.275 0.472 . . . . 0.0 112.275 -172.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 39.4 mtp180 -54.81 -53.68 52.09 Favored 'General case' 0 N--CA 1.463 0.199 0 CA-C-O 121.39 0.614 . . . . 0.0 110.949 175.35 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' MET . . . . . 0.623 ' SD ' ' HD2' ' A' ' 43' ' ' PRO . 85.0 mtp -70.95 -19.49 62.56 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.449 -0.796 . . . . 0.0 111.156 -176.534 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.521 HG21 ' O ' ' A' ' 43' ' ' PRO . 97.1 t -67.17 -46.93 83.15 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.187 0 N-CA-C 110.131 -0.322 . . . . 0.0 110.131 176.804 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -65.29 -34.67 78.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.487 -0.324 . . . . 0.0 110.355 176.153 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -64.69 -52.48 56.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.559 178.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 14.4 tt -68.52 -28.77 41.59 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-O 120.954 0.407 . . . . 0.0 110.308 -179.522 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.567 ' O ' ' HG2' ' A' ' 55' ' ' ARG . 13.6 tp -62.53 -53.72 50.46 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.059 176.124 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . 0.451 ' HB3' ' CZ ' ' B' ' 84' ' ' PHE . . . -54.59 -41.04 69.43 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.76 -0.655 . . . . 0.0 110.502 179.011 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 84.7 t80 -57.93 -57.61 12.04 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.626 -0.715 . . . . 0.0 109.842 173.457 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 96.0 mt -71.03 7.3 1.24 Allowed 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 112.478 0.547 . . . . 0.0 112.478 -177.787 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.567 ' HG2' ' O ' ' A' ' 51' ' ' LEU . 14.6 mmm180 -111.99 -46.18 3.24 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 121.862 -0.524 . . . . 0.0 111.591 172.519 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 4.7 t80 -79.23 -15.76 57.54 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.905 0.383 . . . . 0.0 110.563 -178.059 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 43.5 p -98.45 5.56 47.96 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 109.807 -0.442 . . . . 0.0 109.807 174.06 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . 0.489 ' O ' ' HB ' ' A' ' 59' ' ' ILE . . . 65.87 -158.2 0.27 Allowed 'General case' 0 N--CA 1.462 0.14 0 CA-C-N 115.004 -0.998 . . . . 0.0 110.282 -172.165 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.489 ' HB ' ' O ' ' A' ' 58' ' ' ALA . 79.8 mt 76.67 141.15 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.465 0.281 0 O-C-N 123.51 0.506 . . . . 0.0 110.097 -176.38 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 64.3 tttp -79.35 117.55 67.66 Favored Pre-proline 0 C--N 1.324 -0.53 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.135 178.581 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 34.9 Cg_exo -60.36 123.63 13.5 Favored 'Trans proline' 0 N--CA 1.461 -0.427 0 C-N-CA 122.375 2.05 . . . . 0.0 111.184 177.078 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 13.5 m -56.94 146.84 25.48 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.973 -178.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 85.4 mt -61.34 -22.09 64.6 Favored 'General case' 0 C--O 1.225 -0.226 0 CA-C-N 115.405 -0.816 . . . . 0.0 112.536 -171.277 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -59.88 -44.29 97.23 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.222 -0.99 . . . . 0.0 111.141 174.414 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -69.33 -40.67 77.46 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 109.908 -0.404 . . . . 0.0 109.908 177.686 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.492 ' O ' ' HB3' ' A' ' 69' ' ' TRP . 48.8 mm -63.67 -34.96 71.05 Favored 'Isoleucine or valine' 0 C--O 1.236 0.38 0 CA-C-O 121.287 0.565 . . . . 0.0 110.913 179.376 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 2.0 m120 -66.89 -40.88 87.88 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.837 -0.619 . . . . 0.0 110.991 177.24 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 55.5 mtt180 -74.9 -31.48 61.58 Favored 'General case' 0 CA--C 1.519 -0.219 0 CA-C-O 121.202 0.525 . . . . 0.0 109.762 178.11 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' TRP . . . . . 0.611 ' CD1' HD12 ' B' ' 95' ' ' ILE . 45.0 t90 -53.1 -56.41 16.47 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 114.714 -1.13 . . . . 0.0 110.599 176.014 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -74.43 -5.03 71.37 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 121.082 -0.58 . . . . 0.0 113.179 177.707 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 72.7 m -84.33 -17.22 40.2 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.991 0.396 . . . . 0.0 110.557 177.348 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 14.2 t -71.32 127.85 33.76 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 N-CA-C 108.679 -0.86 . . . . 0.0 108.679 175.04 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . 0.456 ' O ' ' N ' ' A' ' 75' ' ' LYS . . . -77.55 44.9 2.3 Favored Glycine 0 CA--C 1.521 0.421 0 CA-C-O 119.359 -0.689 . . . . 0.0 114.398 -170.715 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . 0.41 ' HA ' ' CG2' ' B' ' 95' ' ' ILE . 19.8 ptmt 49.72 -60.87 0.0 OUTLIER 'General case' 0 N--CA 1.484 1.272 0 C-N-CA 125.946 1.698 . . . . 0.0 115.334 177.485 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . 0.469 ' HD3' ' C ' ' A' ' 75' ' ' LYS . 1.2 tmtp? -54.66 -52.92 60.83 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.439 0.638 . . . . 0.0 109.755 177.658 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 13.4 tp10 -50.93 -44.37 60.25 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 114.8 -1.091 . . . . 0.0 110.993 173.604 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -61.4 -37.06 82.1 Favored 'General case' 0 C--O 1.226 -0.174 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.733 179.8 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 65.0 mtt -59.63 -43.86 93.67 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.298 177.555 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -65.69 -42.84 90.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.699 176.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 88.6 mt -60.03 -54.21 37.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.793 179.06 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 46.8 mm -66.17 -35.86 76.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 116.035 -0.53 . . . . 0.0 111.334 -177.793 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 23.8 tptm -62.54 -48.81 77.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.856 0.36 . . . . 0.0 110.635 179.537 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 39.0 ttpt -70.29 -28.35 65.12 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.198 0.523 . . . . 0.0 110.245 179.772 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . 0.517 ' O ' ' HG ' ' A' ' 88' ' ' LEU . 14.5 t80 -64.88 -51.43 62.02 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.484 -0.78 . . . . 0.0 109.969 175.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . 0.415 ' HA ' HD11 ' A' ' 88' ' ' LEU . 98.5 mttt -58.88 -33.22 70.25 Favored 'General case' 0 C--O 1.232 0.184 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.053 175.776 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 27.1 tptp -64.54 -45.24 87.99 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.794 179.01 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -68.52 -36.68 79.19 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.051 0.453 . . . . 0.0 110.133 179.525 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.517 ' HG ' ' O ' ' A' ' 84' ' ' PHE . 93.2 mt -62.71 -42.14 99.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.75 177.136 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -60.26 -47.46 85.91 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.664 178.602 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . 0.596 ' O ' HG13 ' A' ' 94' ' ' ILE . . . -62.08 -45.56 92.97 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.719 178.685 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 6.2 tpt -64.16 -39.22 93.54 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.519 -177.265 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.414 ' O ' ' HB ' ' A' ' 95' ' ' ILE . 53.3 tp -60.05 -39.63 86.6 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.598 175.919 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . 0.471 ' HA ' ' ND2' ' A' ' 96' ' ' ASN . 94.2 mtt180 -71.5 -22.13 61.83 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.013 -0.539 . . . . 0.0 111.224 -179.618 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . 0.596 HG13 ' O ' ' A' ' 90' ' ' ALA . 11.4 mt -78.47 -28.81 14.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 C-N-CA 120.492 -0.483 . . . . 0.0 109.794 173.209 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . 0.607 HD12 ' CD1' ' B' ' 69' ' ' TRP . 19.0 mm -60.61 -39.95 83.07 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.248 0 N-CA-C 109.231 -0.655 . . . . 0.0 109.231 170.404 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' ASN . . . . . 0.471 ' ND2' ' HA ' ' A' ' 93' ' ' ARG . 79.4 m-20 -59.76 -44.8 93.68 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.486 -0.779 . . . . 0.0 109.551 174.101 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -72.33 2.01 6.83 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.816 -0.629 . . . . 0.0 112.261 -179.691 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . 0.536 ' HG2' ' O ' ' A' ' 94' ' ' ILE . 5.6 mmp_? . . . . . 0 C--N 1.329 -0.297 0 CA-C-O 120.675 0.274 . . . . 0.0 110.529 176.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 42' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.445 -0.728 0 CA-C-O 120.238 -0.201 . . . . 0.0 112.726 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 43' ' ' PRO . . . . . 0.642 ' HD2' ' SD ' ' B' ' 46' ' ' MET . 38.2 Cg_endo -66.92 176.71 4.18 Favored 'Trans proline' 0 C--N 1.343 0.264 0 C-N-CA 122.682 2.255 . . . . 0.0 111.432 175.064 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 23.4 pt -52.36 -38.87 26.52 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.415 0 N-CA-C 112.322 0.49 . . . . 0.0 112.322 -173.025 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 39.6 mtp180 -54.94 -53.53 54.45 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-O 121.438 0.637 . . . . 0.0 110.9 175.408 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 46' ' ' MET . . . . . 0.642 ' SD ' ' HD2' ' B' ' 43' ' ' PRO . 85.3 mtp -71.08 -19.55 62.46 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.489 -0.778 . . . . 0.0 111.131 -176.496 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 47' ' ' VAL . . . . . 0.53 HG21 ' O ' ' B' ' 43' ' ' PRO . 96.9 t -67.13 -46.96 83.18 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.191 0 N-CA-C 110.059 -0.349 . . . . 0.0 110.059 176.898 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -65.28 -34.72 79.01 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.817 0.341 . . . . 0.0 110.431 176.144 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -64.56 -52.68 56.39 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.527 178.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 50' ' ' ILE . . . . . . . . . . . . . 14.4 tt -68.31 -28.75 41.86 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.183 0 CA-C-O 120.898 0.38 . . . . 0.0 110.371 -179.549 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 51' ' ' LEU . . . . . 0.572 ' O ' ' HG2' ' B' ' 55' ' ' ARG . 13.6 tp -62.51 -53.67 51.33 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.043 176.108 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 52' ' ' ALA . . . . . 0.435 ' HB3' ' CZ ' ' A' ' 84' ' ' PHE . . . -54.73 -40.87 69.72 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.53 179.083 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 53' ' ' PHE . . . . . . . . . . . . . 84.9 t80 -58.02 -57.59 12.14 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.618 -0.719 . . . . 0.0 109.916 173.385 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 54' ' ' LEU . . . . . . . . . . . . . 95.9 mt -70.95 7.14 1.25 Allowed 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 112.466 0.543 . . . . 0.0 112.466 -177.797 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 55' ' ' ARG . . . . . 0.572 ' HG2' ' O ' ' B' ' 51' ' ' LEU . 14.6 mmm180 -111.88 -46.39 3.24 Favored 'General case' 0 C--N 1.323 -0.563 0 O-C-N 121.864 -0.522 . . . . 0.0 111.516 172.61 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 56' ' ' PHE . . . . . . . . . . . . . 4.8 t80 -78.99 -15.9 57.64 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 120.889 0.376 . . . . 0.0 110.533 -177.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 57' ' ' THR . . . . . . . . . . . . . 43.6 p -98.25 5.57 48.25 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 109.791 -0.448 . . . . 0.0 109.791 174.16 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 58' ' ' ALA . . . . . 0.503 ' O ' ' HB ' ' B' ' 59' ' ' ILE . . . 65.68 -158.17 0.27 Allowed 'General case' 0 N--CA 1.461 0.116 0 CA-C-N 115.114 -0.948 . . . . 0.0 110.304 -171.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 59' ' ' ILE . . . . . 0.503 ' HB ' ' O ' ' B' ' 58' ' ' ALA . 80.2 mt 76.65 141.29 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.463 0.218 0 O-C-N 123.561 0.538 . . . . 0.0 110.125 -176.207 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 64.2 tttp -79.57 117.99 70.08 Favored Pre-proline 0 C--N 1.324 -0.536 0 N-CA-C 109.937 -0.394 . . . . 0.0 109.937 178.688 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 61' ' ' PRO . . . . . . . . . . . . . 33.7 Cg_exo -60.57 123.44 13.05 Favored 'Trans proline' 0 N--CA 1.462 -0.358 0 C-N-CA 122.337 2.024 . . . . 0.0 111.31 176.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 13.2 m -56.71 147.04 23.85 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.013 -178.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 85.4 mt -61.45 -22.15 64.79 Favored 'General case' 0 CA--C 1.52 -0.2 0 CA-C-N 115.409 -0.814 . . . . 0.0 112.622 -171.315 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -59.8 -44.53 96.94 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.207 -0.996 . . . . 0.0 111.069 174.557 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -68.9 -41.02 78.79 Favored 'General case' 0 C--O 1.223 -0.322 0 N-CA-C 109.96 -0.385 . . . . 0.0 109.96 177.721 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 66' ' ' ILE . . . . . 0.466 ' O ' ' HB3' ' B' ' 69' ' ' TRP . 49.3 mm -63.36 -34.97 70.37 Favored 'Isoleucine or valine' 0 C--O 1.236 0.35 0 CA-C-O 121.315 0.579 . . . . 0.0 110.909 179.324 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 67' ' ' ASN . . . . . . . . . . . . . 2.0 m120 -67.0 -40.58 87.38 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.987 177.31 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 68' ' ' ARG . . . . . . . . . . . . . 55.3 mtt180 -75.24 -31.15 60.73 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.182 0.515 . . . . 0.0 109.681 178.209 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 69' ' ' TRP . . . . . 0.607 ' CD1' HD12 ' A' ' 95' ' ' ILE . 45.1 t90 -53.54 -56.39 17.45 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 114.741 -1.118 . . . . 0.0 110.534 176.112 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . -74.37 -4.52 69.46 Favored Glycine 0 CA--C 1.52 0.405 0 CA-C-N 115.951 -0.568 . . . . 0.0 113.198 177.396 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 71' ' ' SER . . . . . . . . . . . . . 74.4 m -84.88 -17.17 38.75 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 117.06 0.43 . . . . 0.0 110.497 177.052 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 72' ' ' VAL . . . . . . . . . . . . . 14.4 t -71.29 128.06 33.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 N-CA-C 108.604 -0.888 . . . . 0.0 108.604 175.149 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 73' ' ' GLY . . . . . 0.457 ' O ' ' N ' ' B' ' 75' ' ' LYS . . . -77.59 45.07 2.34 Favored Glycine 0 C--O 1.225 -0.454 0 CA-C-O 119.336 -0.702 . . . . 0.0 114.431 -170.895 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 74' ' ' LYS . . . . . 0.409 ' HA ' ' CG2' ' A' ' 95' ' ' ILE . 19.8 ptmt 49.67 -61.15 0.0 OUTLIER 'General case' 0 N--CA 1.484 1.226 0 C-N-CA 125.923 1.689 . . . . 0.0 115.329 177.458 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 75' ' ' LYS . . . . . 0.486 ' C ' ' HD3' ' B' ' 75' ' ' LYS . 1.2 tmtp? -54.52 -52.69 61.21 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.402 0.62 . . . . 0.0 109.709 177.694 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 13.5 tp10 -51.21 -44.27 61.58 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 114.777 -1.101 . . . . 0.0 110.939 173.796 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 77' ' ' ALA . . . . . . . . . . . . . . . -61.51 -36.67 81.17 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.726 179.863 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 78' ' ' MET . . . . . . . . . . . . . 66.1 mtt -60.02 -43.94 94.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.335 177.529 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 79' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -65.6 -42.88 91.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.669 176.882 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 80' ' ' ILE . . . . . . . . . . . . . 88.1 mt -59.89 -54.41 35.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.812 178.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 81' ' ' ILE . . . . . . . . . . . . . 46.9 mm -66.08 -36.06 76.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.29 -177.727 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 82' ' ' LYS . . . . . . . . . . . . . 23.8 tptm -62.32 -48.9 77.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.908 0.385 . . . . 0.0 110.679 179.462 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 83' ' ' LYS . . . . . . . . . . . . . 39.1 ttpt -70.18 -28.2 65.13 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.175 0.512 . . . . 0.0 110.222 179.825 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 84' ' ' PHE . . . . . 0.518 ' O ' ' HG ' ' B' ' 88' ' ' LEU . 14.6 t80 -65.01 -51.18 63.07 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.488 -0.778 . . . . 0.0 109.91 176.089 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 85' ' ' LYS . . . . . 0.423 ' HA ' HD11 ' B' ' 88' ' ' LEU . 98.4 mttt -59.0 -33.48 70.75 Favored 'General case' 0 N--CA 1.462 0.143 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.065 175.91 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 86' ' ' LYS . . . . . . . . . . . . . 27.1 tptp -64.28 -45.38 88.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.792 178.895 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 87' ' ' ASP . . . . . . . . . . . . . 35.6 t70 -68.45 -36.64 79.31 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.983 0.421 . . . . 0.0 110.093 179.562 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 88' ' ' LEU . . . . . 0.518 ' HG ' ' O ' ' B' ' 84' ' ' PHE . 93.6 mt -62.76 -42.12 99.53 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.703 177.224 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -60.22 -47.73 84.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.702 178.604 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 90' ' ' ALA . . . . . 0.581 ' O ' HG13 ' B' ' 94' ' ' ILE . . . -61.72 -45.77 92.55 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.72 178.542 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 91' ' ' MET . . . . . . . . . . . . . 6.2 tpt -64.02 -39.19 93.54 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.497 -177.162 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 92' ' ' LEU . . . . . 0.406 ' O ' ' HB ' ' B' ' 95' ' ' ILE . 53.2 tp -60.13 -39.52 86.57 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.59 176.017 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 93' ' ' ARG . . . . . 0.473 ' HA ' ' ND2' ' B' ' 96' ' ' ASN . 94.4 mtt180 -71.61 -22.11 61.75 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.144 -179.519 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 94' ' ' ILE . . . . . 0.581 HG13 ' O ' ' B' ' 90' ' ' ALA . 11.2 mt -78.44 -28.83 14.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 N-CA-C 109.745 -0.465 . . . . 0.0 109.745 173.29 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 95' ' ' ILE . . . . . 0.611 HD12 ' CD1' ' A' ' 69' ' ' TRP . 19.2 mm -60.6 -39.94 83.01 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.211 0 N-CA-C 109.246 -0.65 . . . . 0.0 109.246 170.437 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 96' ' ' ASN . . . . . 0.473 ' ND2' ' HA ' ' B' ' 93' ' ' ARG . 80.1 m-20 -59.77 -44.74 93.74 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.431 -0.804 . . . . 0.0 109.512 174.101 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 97' ' ' ALA . . . . . . . . . . . . . . . -72.26 1.86 6.99 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.814 -0.63 . . . . 0.0 112.258 -179.64 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 98' ' ' ARG . . . . . 0.526 ' HG2' ' O ' ' B' ' 94' ' ' ILE . 5.6 mmp_? . . . . . 0 C--N 1.329 -0.318 0 CA-C-O 120.646 0.26 . . . . 0.0 110.631 177.035 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.442 -0.948 0 CA-C-O 120.188 -0.229 . . . . 0.0 112.798 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.573 ' HD2' ' SD ' ' A' ' 46' ' ' MET . 26.5 Cg_exo -64.43 179.09 1.35 Allowed 'Trans proline' 0 C--N 1.343 0.273 0 C-N-CA 122.765 2.31 . . . . 0.0 110.829 169.935 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 35.3 pt -52.79 -39.69 32.2 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.451 0 N-CA-C 112.596 0.591 . . . . 0.0 112.596 -172.413 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 97.0 mtt180 -60.89 -48.18 82.98 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 121.111 0.481 . . . . 0.0 110.634 177.719 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' MET . . . . . 0.573 ' SD ' ' HD2' ' A' ' 43' ' ' PRO . 1.9 mpt? -69.9 -27.9 65.17 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.909 -179.127 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.538 HG23 ' O ' ' A' ' 43' ' ' PRO . 90.6 t -58.45 -46.71 89.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 N-CA-C 110.126 -0.324 . . . . 0.0 110.126 176.201 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 11.0 mp -68.21 -31.92 71.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.03 177.854 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -66.55 -50.13 64.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.989 0.424 . . . . 0.0 110.996 176.083 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.532 HG13 ' O ' ' A' ' 46' ' ' MET . 54.7 mt -66.92 -29.89 47.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 115.999 -0.546 . . . . 0.0 109.771 178.315 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.518 ' O ' ' HG2' ' A' ' 55' ' ' ARG . 16.5 tp -58.33 -56.68 18.93 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.055 174.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -56.52 -39.49 73.43 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.826 179.803 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . 0.415 ' HB3' ' O ' ' A' ' 50' ' ' ILE . 90.1 t80 -52.74 -58.48 6.72 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.66 -0.7 . . . . 0.0 109.63 173.711 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.517 HD13 ' H ' ' A' ' 62' ' ' SER . 83.9 mt -70.34 -6.71 37.18 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.237 -0.438 . . . . 0.0 112.103 -178.256 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.518 ' HG2' ' O ' ' A' ' 51' ' ' LEU . 25.1 mmm180 -87.82 -35.78 17.61 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.773 0.32 . . . . 0.0 111.296 177.839 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . 0.425 ' CZ ' ' HA ' ' B' ' 84' ' ' PHE . 66.8 m-85 -109.88 -12.67 14.55 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.92 -176.036 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 22.8 p -108.15 4.52 24.96 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.057 0.456 . . . . 0.0 110.705 178.035 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -164.47 167.06 19.92 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.401 -177.634 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 18.8 mm -118.28 50.79 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-O 121.823 0.821 . . . . 0.0 109.34 175.877 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 57.2 tptt 174.55 105.31 0.08 OUTLIER Pre-proline 0 C--N 1.321 -0.647 0 CA-C-N 114.589 -1.187 . . . . 0.0 110.285 -178.002 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . 0.403 ' HB2' HD11 ' A' ' 66' ' ' ILE . 4.9 Cg_exo -77.6 134.49 13.77 Favored 'Trans proline' 0 N--CA 1.457 -0.651 0 C-N-CA 122.535 2.156 . . . . 0.0 111.272 173.438 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' SER . . . . . 0.517 ' H ' HD13 ' A' ' 54' ' ' LEU . 5.9 m -59.32 138.09 57.75 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.961 -178.587 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 96.0 mt -62.47 -26.58 68.6 Favored 'General case' 0 N--CA 1.462 0.154 0 CA-C-N 115.67 -0.696 . . . . 0.0 112.28 -173.589 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -63.93 -47.07 89.4 Favored Glycine 0 N--CA 1.45 -0.406 0 C-N-CA 120.557 -0.83 . . . . 0.0 111.117 175.218 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -64.44 -40.09 95.07 Favored 'General case' 0 C--O 1.218 -0.585 0 N-CA-C 110.162 -0.31 . . . . 0.0 110.162 176.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.403 HD11 ' HB2' ' A' ' 61' ' ' PRO . 37.2 mm -59.66 -43.82 92.12 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.339 0 CA-C-O 121.099 0.476 . . . . 0.0 111.108 177.945 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 24.3 t-20 -57.68 -42.96 84.67 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.736 -0.665 . . . . 0.0 111.006 178.721 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 23.0 ttm180 -82.8 -23.88 33.64 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.049 0.452 . . . . 0.0 110.178 -177.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' TRP . . . . . 0.527 ' CD1' HD11 ' B' ' 95' ' ' ILE . 44.2 t90 -60.84 -52.19 66.13 Favored 'General case' 0 C--N 1.324 -0.531 0 C-N-CA 123.938 0.895 . . . . 0.0 110.646 176.715 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -69.04 -13.09 66.34 Favored Glycine 0 CA--C 1.522 0.514 0 C-N-CA 120.999 -0.619 . . . . 0.0 112.344 175.742 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 53.6 m -89.69 -2.33 58.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.914 0.387 . . . . 0.0 111.017 -179.748 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 56.8 t -78.6 138.66 19.76 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.587 0 N-CA-C 109.403 -0.592 . . . . 0.0 109.403 176.126 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -59.62 129.04 48.08 Favored Glycine 0 N--CA 1.442 -0.927 0 N-CA-C 110.356 -1.097 . . . . 0.0 110.356 174.754 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . 0.512 ' O ' ' HG3' ' A' ' 78' ' ' MET . 0.2 OUTLIER -68.23 -23.39 64.8 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-O 121.618 0.723 . . . . 0.0 110.439 -173.425 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 20.2 tptm -74.55 -47.76 30.83 Favored 'General case' 0 C--N 1.31 -1.15 0 CA-C-N 114.498 -1.228 . . . . 0.0 109.828 170.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . 0.514 ' O ' HG13 ' A' ' 80' ' ' ILE . 14.3 tp10 -62.34 -39.51 93.34 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.513 -0.767 . . . . 0.0 110.366 -178.837 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -58.16 -39.45 78.88 Favored 'General case' 0 N--CA 1.454 -0.263 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.79 178.205 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' MET . . . . . 0.512 ' HG3' ' O ' ' A' ' 74' ' ' LYS . 89.3 mtp -60.65 -44.59 96.25 Favored 'General case' 0 CA--C 1.519 -0.243 0 CA-C-O 121.101 0.477 . . . . 0.0 109.854 176.626 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -65.31 -43.31 91.44 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.462 -0.79 . . . . 0.0 110.804 179.078 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . 0.514 HG13 ' O ' ' A' ' 76' ' ' GLU . 86.2 mt -61.62 -53.29 50.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.64 179.047 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . 0.449 ' O ' ' HG3' ' A' ' 85' ' ' LYS . 35.4 mm -59.67 -39.83 80.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.149 -178.578 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . 0.5 ' O ' ' HG2' ' A' ' 86' ' ' LYS . 25.2 ttmm -59.6 -51.41 69.93 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.929 0.395 . . . . 0.0 110.746 178.36 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 55.4 mtmt -71.28 -26.1 62.73 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.936 -179.492 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . 0.443 ' HA ' ' CZ ' ' B' ' 56' ' ' PHE . 7.2 t80 -64.64 -48.56 74.39 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 109.295 -0.631 . . . . 0.0 109.295 175.331 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . 0.449 ' HG3' ' O ' ' A' ' 81' ' ' ILE . 99.5 mttt -59.91 -34.65 73.49 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-N 115.513 -0.767 . . . . 0.0 110.969 177.185 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . 0.5 ' HG2' ' O ' ' A' ' 82' ' ' LYS . 74.9 mmtt -64.97 -42.03 94.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.426 179.764 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 35.9 t70 -71.97 -35.54 69.56 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.897 0.379 . . . . 0.0 110.067 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 91.5 mt -58.94 -44.71 91.43 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.026 174.463 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -62.42 -40.32 96.17 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.511 -0.768 . . . . 0.0 110.762 178.147 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . 0.616 ' O ' HG13 ' A' ' 94' ' ' ILE . . . -63.49 -46.97 83.65 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.635 179.381 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 94.9 mmm -63.5 -38.67 92.03 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.727 179.303 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 49.2 tp -59.15 -46.01 89.47 Favored 'General case' 0 C--O 1.24 0.579 0 CA-C-O 121.311 0.577 . . . . 0.0 110.571 176.538 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 71.8 mtp180 -58.75 -36.85 75.01 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.536 -0.756 . . . . 0.0 110.766 178.304 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . 0.616 HG13 ' O ' ' A' ' 90' ' ' ALA . 27.8 mt -69.18 -36.71 74.3 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.628 -0.26 . . . . 0.0 110.738 179.161 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . 0.53 HD11 ' CD1' ' B' ' 69' ' ' TRP . 19.4 mm -51.54 -53.63 15.49 Favored 'Isoleucine or valine' 0 C--O 1.235 0.326 0 CA-C-O 121.319 0.58 . . . . 0.0 110.0 175.368 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -82.85 -16.02 49.27 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.757 -0.656 . . . . 0.0 111.121 -176.144 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -66.54 -43.02 86.27 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.09 0.472 . . . . 0.0 110.696 178.457 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . 0.516 ' HG2' ' O ' ' A' ' 94' ' ' ILE . 12.2 ptp180 . . . . . 0 C--N 1.322 -0.598 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.915 -175.621 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 42' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.442 -0.96 0 CA-C-O 120.132 -0.26 . . . . 0.0 112.75 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 43' ' ' PRO . . . . . 0.567 ' HD2' ' SD ' ' B' ' 46' ' ' MET . 26.3 Cg_exo -64.58 179.13 1.39 Allowed 'Trans proline' 0 C--N 1.344 0.297 0 C-N-CA 122.713 2.275 . . . . 0.0 110.772 169.947 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 35.1 pt -52.78 -39.74 32.37 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.422 0 N-CA-C 112.541 0.571 . . . . 0.0 112.541 -172.401 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 97.0 mtt180 -60.8 -48.21 82.84 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-O 121.175 0.512 . . . . 0.0 110.643 177.756 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 46' ' ' MET . . . . . 0.567 ' SD ' ' HD2' ' B' ' 43' ' ' PRO . 1.9 mpt? -69.87 -27.93 65.23 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.844 -0.617 . . . . 0.0 110.91 -179.118 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 47' ' ' VAL . . . . . 0.538 HG23 ' O ' ' B' ' 43' ' ' PRO . 90.8 t -58.44 -46.66 89.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 N-CA-C 110.172 -0.307 . . . . 0.0 110.172 176.182 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 11.0 mp -68.37 -31.8 71.43 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.012 177.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -66.59 -50.17 63.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.962 0.41 . . . . 0.0 110.995 175.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 50' ' ' ILE . . . . . 0.547 HG13 ' O ' ' B' ' 46' ' ' MET . 54.9 mt -66.91 -29.91 47.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 115.983 -0.553 . . . . 0.0 109.785 178.297 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 51' ' ' LEU . . . . . 0.521 ' O ' ' HG2' ' B' ' 55' ' ' ARG . 16.5 tp -58.32 -56.63 19.6 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.602 -0.726 . . . . 0.0 110.091 174.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -56.66 -39.33 73.55 Favored 'General case' 0 CA--C 1.519 -0.217 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.822 179.779 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 53' ' ' PHE . . . . . 0.419 ' HB3' ' O ' ' B' ' 50' ' ' ILE . 90.3 t80 -52.78 -58.38 7.08 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.779 -0.646 . . . . 0.0 109.697 173.609 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 54' ' ' LEU . . . . . 0.524 HD13 ' H ' ' B' ' 62' ' ' SER . 83.8 mt -70.47 -6.6 37.11 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 112.138 0.422 . . . . 0.0 112.138 -178.277 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 55' ' ' ARG . . . . . 0.521 ' HG2' ' O ' ' B' ' 51' ' ' LEU . 25.1 mmm180 -88.05 -35.44 17.53 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.902 0.382 . . . . 0.0 111.304 177.789 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 56' ' ' PHE . . . . . 0.443 ' CZ ' ' HA ' ' A' ' 84' ' ' PHE . 67.6 m-85 -110.25 -12.43 14.46 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.941 -176.085 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 57' ' ' THR . . . . . . . . . . . . . 22.2 p -108.34 4.5 24.56 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.024 0.44 . . . . 0.0 110.747 177.82 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -164.53 166.43 20.36 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.44 -177.482 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 59' ' ' ILE . . . . . . . . . . . . . 18.9 mm -117.6 50.85 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-O 121.862 0.839 . . . . 0.0 109.416 175.826 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 57.2 tptt 174.62 105.38 0.08 OUTLIER Pre-proline 0 C--N 1.321 -0.662 0 CA-C-N 114.621 -1.172 . . . . 0.0 110.344 -178.148 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 61' ' ' PRO . . . . . . . . . . . . . 5.0 Cg_exo -77.69 134.15 13.36 Favored 'Trans proline' 0 N--CA 1.458 -0.608 0 C-N-CA 122.474 2.116 . . . . 0.0 111.269 173.603 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 62' ' ' SER . . . . . 0.524 ' H ' HD13 ' B' ' 54' ' ' LEU . 6.2 m -58.96 137.94 57.67 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.989 -178.597 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 96.3 mt -62.42 -26.35 68.44 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 115.624 -0.716 . . . . 0.0 112.327 -173.8 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -64.17 -46.85 89.91 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.367 -0.92 . . . . 0.0 111.248 174.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -64.59 -39.99 94.72 Favored 'General case' 0 C--O 1.218 -0.587 0 CA-C-N 115.531 -0.335 . . . . 0.0 110.175 177.023 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 66' ' ' ILE . . . . . 0.401 ' O ' ' HB3' ' B' ' 69' ' ' TRP . 36.7 mm -59.81 -43.77 92.56 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.327 0 CA-C-O 121.12 0.486 . . . . 0.0 111.061 178.046 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 67' ' ' ASN . . . . . . . . . . . . . 24.2 t-20 -57.7 -43.05 84.88 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.735 -0.666 . . . . 0.0 111.046 178.8 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 68' ' ' ARG . . . . . . . . . . . . . 22.8 ttm180 -82.62 -23.98 34.07 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.106 0.479 . . . . 0.0 110.246 -178.138 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 69' ' ' TRP . . . . . 0.53 ' CD1' HD11 ' A' ' 95' ' ' ILE . 44.3 t90 -60.77 -52.15 66.3 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.107 -0.951 . . . . 0.0 110.662 176.732 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . -69.22 -12.84 66.49 Favored Glycine 0 CA--C 1.521 0.453 0 C-N-CA 120.952 -0.642 . . . . 0.0 112.409 175.724 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 71' ' ' SER . . . . . . . . . . . . . 51.7 m -90.08 -1.51 57.97 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.874 0.368 . . . . 0.0 111.001 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 72' ' ' VAL . . . . . . . . . . . . . 56.0 t -79.35 138.46 19.96 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 N-CA-C 109.495 -0.557 . . . . 0.0 109.495 175.857 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 73' ' ' GLY . . . . . . . . . . . . . . . -59.36 129.07 48.55 Favored Glycine 0 N--CA 1.441 -0.985 0 N-CA-C 110.481 -1.048 . . . . 0.0 110.481 174.811 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 74' ' ' LYS . . . . . 0.519 ' O ' ' HG3' ' B' ' 78' ' ' MET . 0.2 OUTLIER -68.46 -22.82 64.55 Favored 'General case' 0 C--N 1.317 -0.829 0 CA-C-O 121.709 0.766 . . . . 0.0 110.392 -173.506 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 75' ' ' LYS . . . . . . . . . . . . . 20.2 tptm -75.12 -47.96 26.1 Favored 'General case' 0 C--N 1.31 -1.133 0 CA-C-N 114.521 -1.218 . . . . 0.0 109.71 170.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 76' ' ' GLU . . . . . 0.516 ' O ' HG13 ' B' ' 80' ' ' ILE . 14.6 tp10 -62.07 -39.75 93.47 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.537 -0.756 . . . . 0.0 110.457 -178.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 77' ' ' ALA . . . . . . . . . . . . . . . -57.9 -39.5 78.06 Favored 'General case' 0 N--CA 1.453 -0.289 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.729 178.242 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 78' ' ' MET . . . . . 0.519 ' HG3' ' O ' ' B' ' 74' ' ' LYS . 90.3 mtp -60.78 -44.56 96.63 Favored 'General case' 0 CA--C 1.519 -0.231 0 N-CA-C 109.73 -0.47 . . . . 0.0 109.73 176.779 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 79' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -65.41 -43.18 91.37 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.467 -0.788 . . . . 0.0 110.742 179.26 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 80' ' ' ILE . . . . . 0.516 HG13 ' O ' ' B' ' 76' ' ' GLU . 85.8 mt -61.67 -53.43 48.46 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.617 178.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 81' ' ' ILE . . . . . 0.447 ' O ' ' HG3' ' B' ' 85' ' ' LYS . 35.5 mm -59.61 -39.89 80.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.139 -178.493 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 82' ' ' LYS . . . . . 0.493 ' O ' ' HG2' ' B' ' 86' ' ' LYS . 25.2 ttmm -59.56 -51.24 70.7 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.881 0.372 . . . . 0.0 110.757 178.42 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 83' ' ' LYS . . . . . . . . . . . . . 55.4 mtmt -71.25 -26.52 62.94 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.924 -179.522 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 84' ' ' PHE . . . . . 0.425 ' HA ' ' CZ ' ' A' ' 56' ' ' PHE . 7.2 t80 -64.25 -48.62 75.06 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 109.298 -0.63 . . . . 0.0 109.298 175.459 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 85' ' ' LYS . . . . . 0.447 ' HG3' ' O ' ' B' ' 81' ' ' ILE . 99.4 mttt -59.75 -34.82 73.46 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-N 115.547 -0.751 . . . . 0.0 110.967 177.194 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 86' ' ' LYS . . . . . 0.493 ' HG2' ' O ' ' B' ' 82' ' ' LYS . 74.9 mmtt -65.09 -41.42 95.03 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.548 179.816 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 87' ' ' ASP . . . . . . . . . . . . . 35.3 t70 -72.28 -35.63 68.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.823 0.344 . . . . 0.0 110.134 179.564 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 91.8 mt -58.98 -44.78 91.61 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.055 174.49 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -62.32 -40.43 96.32 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.494 -0.776 . . . . 0.0 110.697 178.257 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 90' ' ' ALA . . . . . 0.618 ' O ' HG13 ' B' ' 94' ' ' ILE . . . -63.34 -46.96 84.19 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.741 179.302 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 91' ' ' MET . . . . . . . . . . . . . 94.9 mmm -63.71 -38.77 92.36 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.581 179.288 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 92' ' ' LEU . . . . . . . . . . . . . 49.6 tp -59.02 -45.86 89.64 Favored 'General case' 0 C--O 1.24 0.553 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.618 176.58 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 93' ' ' ARG . . . . . . . . . . . . . 72.1 mtp180 -58.76 -37.1 75.49 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.503 -0.771 . . . . 0.0 110.788 178.113 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 94' ' ' ILE . . . . . 0.618 HG13 ' O ' ' B' ' 90' ' ' ALA . 27.9 mt -68.84 -36.74 75.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.749 -0.205 . . . . 0.0 110.758 179.267 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 95' ' ' ILE . . . . . 0.527 HD11 ' CD1' ' A' ' 69' ' ' TRP . 19.4 mm -51.42 -53.93 13.86 Favored 'Isoleucine or valine' 0 C--O 1.236 0.354 0 CA-C-O 121.351 0.596 . . . . 0.0 109.929 175.416 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 96' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -82.83 -15.99 49.47 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.736 -0.665 . . . . 0.0 111.155 -176.01 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 97' ' ' ALA . . . . . . . . . . . . . . . -66.45 -43.32 85.87 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 121.033 0.444 . . . . 0.0 110.747 178.268 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 98' ' ' ARG . . . . . 0.531 ' HG2' ' O ' ' B' ' 94' ' ' ILE . 12.3 ptp180 . . . . . 0 C--N 1.321 -0.663 0 CA-C-N 115.765 -0.652 . . . . 0.0 111.027 -175.673 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.445 -0.733 0 CA-C-O 119.912 -0.382 . . . . 0.0 112.21 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.478 ' HD2' ' SD ' ' A' ' 46' ' ' MET . 39.8 Cg_exo -62.18 174.45 2.57 Favored 'Trans proline' 0 C--N 1.345 0.388 0 C-N-CA 122.883 2.388 . . . . 0.0 111.591 173.321 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 22.7 pt -52.38 -41.54 35.47 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.406 0 N-CA-C 112.64 0.607 . . . . 0.0 112.64 -173.384 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 -56.9 -46.87 81.65 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-O 121.354 0.597 . . . . 0.0 110.615 176.747 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' MET . . . . . 0.519 ' HG2' ' HA ' ' B' ' 57' ' ' THR . 70.3 mtp -70.04 -24.3 63.24 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.332 -0.849 . . . . 0.0 111.259 -178.753 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.474 HG22 ' O ' ' A' ' 43' ' ' PRO . 84.4 t -65.73 -48.83 80.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.622 0.249 . . . . 0.0 110.584 177.837 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -62.27 -39.62 93.52 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.931 0.396 . . . . 0.0 110.381 176.865 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -67.78 -48.18 67.05 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.741 -179.045 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.418 ' O ' ' HG ' ' A' ' 54' ' ' LEU . 15.0 tt -69.73 -28.61 37.9 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-O 120.61 0.243 . . . . 0.0 110.674 -177.666 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.634 HD22 ' SD ' ' B' ' 91' ' ' MET . 7.6 tp -68.61 -49.99 54.95 Favored 'General case' 0 N--CA 1.449 -0.506 0 C-N-CA 120.484 -0.486 . . . . 0.0 109.736 179.186 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -57.34 -39.19 75.39 Favored 'General case' 0 CA--C 1.517 -0.302 0 CA-C-O 121.217 0.532 . . . . 0.0 110.199 176.583 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . 0.403 ' HB3' ' O ' ' A' ' 50' ' ' ILE . 88.7 t80 -54.75 -58.76 6.25 Favored 'General case' 0 N--CA 1.45 -0.445 0 CA-C-N 115.295 -0.866 . . . . 0.0 109.538 173.011 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.418 ' HG ' ' O ' ' A' ' 50' ' ' ILE . 89.1 mt -62.28 -18.05 60.25 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.827 -179.61 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.511 ' HG2' ' O ' ' A' ' 51' ' ' LEU . 26.2 mmm180 -77.83 -50.86 11.45 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.807 0.337 . . . . 0.0 111.358 178.376 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . 0.541 ' CZ ' ' HA ' ' B' ' 84' ' ' PHE . 54.7 m-85 -96.02 -7.7 35.58 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 112.415 0.524 . . . . 0.0 112.415 -174.043 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' THR . . . . . 0.521 ' HA ' ' HG2' ' B' ' 46' ' ' MET . 31.5 p -107.58 -30.51 8.57 Favored 'General case' 0 C--N 1.323 -0.546 0 C-N-CA 120.075 -0.65 . . . . 0.0 111.467 176.808 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -128.48 -176.56 3.86 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.235 -172.092 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 74.3 mt -120.92 118.77 57.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.15 176.357 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 57.2 tptt 68.27 98.41 0.04 OUTLIER Pre-proline 0 N--CA 1.464 0.252 0 O-C-N 124.09 0.869 . . . . 0.0 111.207 179.474 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 33.8 Cg_exo -61.23 149.68 88.17 Favored 'Trans proline' 0 C--O 1.233 0.241 0 C-N-CA 122.957 2.438 . . . . 0.0 112.216 177.192 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' SER . . . . . 0.408 ' HB2' HD22 ' A' ' 65' ' ' LEU . 3.9 m -65.25 139.12 58.6 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.877 -0.601 . . . . 0.0 111.161 -177.794 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -63.56 -21.12 66.17 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.395 -0.821 . . . . 0.0 112.333 -173.022 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -65.67 -44.91 91.68 Favored Glycine 0 C--O 1.238 0.381 0 C-N-CA 120.591 -0.814 . . . . 0.0 111.575 176.115 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.408 HD22 ' HB2' ' A' ' 62' ' ' SER . 3.3 mm? -66.46 -35.45 80.32 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 109.433 -0.58 . . . . 0.0 109.433 175.771 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.435 ' O ' ' HB3' ' A' ' 69' ' ' TRP . 35.6 mm -63.22 -35.05 70.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 115.822 -0.627 . . . . 0.0 110.668 176.798 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 28.1 t-20 -65.51 -43.17 90.92 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.88 178.397 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 33.4 ttm180 -82.48 -18.38 41.85 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.36 0.6 . . . . 0.0 110.255 -179.276 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' TRP . . . . . 0.545 ' NE1' HD11 ' B' ' 95' ' ' ILE . 22.7 t90 -55.58 -47.97 75.59 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.098 -0.956 . . . . 0.0 110.399 175.844 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -82.34 8.14 62.22 Favored Glycine 0 N--CA 1.447 -0.602 0 C-N-CA 120.885 -0.674 . . . . 0.0 112.794 177.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 17.0 t -92.1 -11.02 36.88 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 109.529 -0.545 . . . . 0.0 109.529 177.235 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 17.4 t -74.94 136.63 24.71 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 N-CA-C 108.749 -0.834 . . . . 0.0 108.749 174.797 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -77.36 35.98 1.55 Allowed Glycine 0 CA--C 1.52 0.399 0 N-CA-C 114.654 0.622 . . . . 0.0 114.654 -170.356 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 58.0 mttp 62.19 -71.45 0.05 OUTLIER 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 123.734 0.814 . . . . 0.0 112.626 175.205 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 21.7 tptm -58.49 -36.76 74.26 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.898 0.38 . . . . 0.0 110.337 178.141 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . 0.429 ' O ' HG13 ' A' ' 80' ' ' ILE . 16.0 tp10 -60.93 -42.9 99.06 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.012 -0.54 . . . . 0.0 109.967 176.725 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -62.82 -38.53 91.11 Favored 'General case' 0 C--O 1.223 -0.31 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.404 178.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 65.1 mtt -58.89 -39.91 82.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.163 0.506 . . . . 0.0 110.246 177.893 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 18.2 mm-40 -71.31 -45.73 62.36 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.424 -0.807 . . . . 0.0 111.08 178.743 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . 0.429 HG13 ' O ' ' A' ' 76' ' ' GLU . 89.2 mt -60.8 -50.02 82.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.793 178.587 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 36.2 mm -64.31 -35.5 74.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.353 -178.153 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 23.3 tptm -63.0 -44.67 95.38 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.912 0.387 . . . . 0.0 110.1 177.774 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 63.9 tttm -70.6 -32.39 69.74 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.042 178.417 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . 0.544 ' HA ' ' CZ ' ' B' ' 56' ' ' PHE . 5.2 t80 -62.33 -53.73 50.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.619 -0.718 . . . . 0.0 109.748 177.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -59.15 -36.59 75.53 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.927 177.207 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 53.5 tptt -66.64 -40.55 88.74 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.766 -179.36 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -68.58 -38.07 80.39 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 109.595 -0.52 . . . . 0.0 109.595 178.749 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.531 ' HG ' ' O ' ' A' ' 84' ' ' PHE . 92.7 mt -62.16 -37.02 83.63 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.559 175.644 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . 0.501 ' O ' ' HG3' ' A' ' 93' ' ' ARG . . . -62.72 -48.83 77.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.724 179.356 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . 0.557 ' O ' HG13 ' A' ' 94' ' ' ILE . . . -61.7 -45.61 93.22 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.236 177.602 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' MET . . . . . 0.621 ' SD ' HD22 ' B' ' 51' ' ' LEU . 49.8 ttp -56.2 -44.49 79.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.44 -0.8 . . . . 0.0 110.716 178.181 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 67.2 tp -57.82 -41.83 83.06 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.613 -0.721 . . . . 0.0 111.16 179.157 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . 0.501 ' HG3' ' O ' ' A' ' 89' ' ' ALA . 30.6 mtm180 -64.37 -34.16 77.53 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.533 -179.63 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . 0.557 HG13 ' O ' ' A' ' 90' ' ' ALA . 11.5 mt -74.46 -26.32 20.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.509 179.076 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . 0.549 HD11 ' NE1' ' B' ' 69' ' ' TRP . 21.9 mm -60.88 -44.87 98.7 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.196 0 CA-C-O 121.756 0.789 . . . . 0.0 109.124 171.613 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 45.3 t30 -65.14 -29.27 70.1 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.168 -0.924 . . . . 0.0 109.849 176.345 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -82.36 2.29 33.03 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.681 -0.691 . . . . 0.0 111.566 178.755 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . 0.42 ' HG2' ' O ' ' A' ' 94' ' ' ILE . 6.4 mmp_? . . . . . 0 N--CA 1.466 0.326 0 CA-C-O 121.387 0.613 . . . . 0.0 109.781 175.837 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 42' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.444 -0.783 0 CA-C-O 119.881 -0.4 . . . . 0.0 112.24 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 43' ' ' PRO . . . . . 0.469 ' O ' HG22 ' B' ' 47' ' ' VAL . 39.1 Cg_exo -61.95 174.79 2.19 Favored 'Trans proline' 0 C--N 1.346 0.42 0 C-N-CA 122.841 2.361 . . . . 0.0 111.579 173.558 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 22.3 pt -52.64 -41.47 37.77 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.423 0 N-CA-C 112.669 0.618 . . . . 0.0 112.669 -173.405 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 -56.96 -46.94 81.81 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-O 121.356 0.598 . . . . 0.0 110.595 176.715 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 46' ' ' MET . . . . . 0.521 ' HG2' ' HA ' ' A' ' 57' ' ' THR . 70.7 mtp -69.89 -24.39 63.39 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.364 -0.834 . . . . 0.0 111.253 -178.829 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 47' ' ' VAL . . . . . 0.469 HG22 ' O ' ' B' ' 43' ' ' PRO . 84.6 t -65.63 -48.98 80.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-O 120.63 0.252 . . . . 0.0 110.493 177.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -62.19 -39.66 93.46 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.988 0.423 . . . . 0.0 110.338 177.047 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -67.72 -48.17 67.26 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.893 -0.594 . . . . 0.0 111.688 -178.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 50' ' ' ILE . . . . . 0.431 ' O ' ' HG ' ' B' ' 54' ' ' LEU . 15.0 tt -69.71 -28.71 38.3 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 CA-C-O 120.596 0.236 . . . . 0.0 110.599 -177.578 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 51' ' ' LEU . . . . . 0.621 HD22 ' SD ' ' A' ' 91' ' ' MET . 7.5 tp -68.56 -49.97 55.42 Favored 'General case' 0 N--CA 1.448 -0.541 0 C-N-CA 120.483 -0.487 . . . . 0.0 109.819 179.172 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -57.37 -39.09 75.29 Favored 'General case' 0 CA--C 1.518 -0.267 0 CA-C-O 121.109 0.48 . . . . 0.0 110.193 176.503 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 53' ' ' PHE . . . . . 0.403 ' HB3' ' O ' ' B' ' 50' ' ' ILE . 88.9 t80 -54.91 -58.54 7.21 Favored 'General case' 0 N--CA 1.448 -0.534 0 CA-C-N 115.302 -0.863 . . . . 0.0 109.581 173.048 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 54' ' ' LEU . . . . . 0.431 ' HG ' ' O ' ' B' ' 50' ' ' ILE . 88.7 mt -62.45 -18.21 61.23 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.85 -179.622 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 55' ' ' ARG . . . . . 0.508 ' HG2' ' O ' ' B' ' 51' ' ' LEU . 26.2 mmm180 -77.61 -51.06 11.26 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.921 0.391 . . . . 0.0 111.291 178.366 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 56' ' ' PHE . . . . . 0.544 ' CZ ' ' HA ' ' A' ' 84' ' ' PHE . 54.3 m-85 -95.76 -7.76 36.3 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 112.395 0.517 . . . . 0.0 112.395 -173.888 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 57' ' ' THR . . . . . 0.519 ' HA ' ' HG2' ' A' ' 46' ' ' MET . 31.1 p -107.61 -30.67 8.47 Favored 'General case' 0 C--N 1.323 -0.56 0 C-N-CA 120.031 -0.668 . . . . 0.0 111.366 176.893 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -128.77 -177.15 4.08 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.18 -171.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 59' ' ' ILE . . . . . . . . . . . . . 75.6 mt -120.49 118.25 56.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.109 176.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 57.2 tptt 68.62 98.44 0.04 OUTLIER Pre-proline 0 C--O 1.234 0.269 0 O-C-N 123.99 0.806 . . . . 0.0 111.193 179.53 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 61' ' ' PRO . . . . . . . . . . . . . 34.9 Cg_exo -61.32 149.45 89.39 Favored 'Trans proline' 0 C--O 1.233 0.25 0 C-N-CA 123.059 2.506 . . . . 0.0 112.269 177.155 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 62' ' ' SER . . . . . 0.427 ' HB2' HD22 ' B' ' 65' ' ' LEU . 3.7 m -65.05 138.95 58.66 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.085 -177.848 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -63.5 -20.97 66.05 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.347 -0.842 . . . . 0.0 112.237 -172.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -66.06 -44.67 90.91 Favored Glycine 0 C--O 1.239 0.437 0 C-N-CA 120.681 -0.771 . . . . 0.0 111.543 176.313 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 65' ' ' LEU . . . . . 0.427 HD22 ' HB2' ' B' ' 62' ' ' SER . 3.3 mm? -66.53 -35.48 80.35 Favored 'General case' 0 C--O 1.222 -0.363 0 N-CA-C 109.488 -0.56 . . . . 0.0 109.488 175.571 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 66' ' ' ILE . . . . . 0.459 ' O ' ' HB3' ' B' ' 69' ' ' TRP . 35.7 mm -63.32 -35.2 71.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.691 176.792 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 67' ' ' ASN . . . . . . . . . . . . . 28.0 t-20 -65.46 -43.21 91.03 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.685 178.405 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 68' ' ' ARG . . . . . . . . . . . . . 33.3 ttm180 -82.38 -18.4 42.16 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.391 0.615 . . . . 0.0 110.246 -179.224 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 69' ' ' TRP . . . . . 0.549 ' NE1' HD11 ' A' ' 95' ' ' ILE . 22.7 t90 -55.58 -47.85 75.76 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.089 -0.96 . . . . 0.0 110.464 175.914 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 70' ' ' GLY . . . . . 0.407 ' HA2' ' HG3' ' A' ' 98' ' ' ARG . . . -82.8 8.68 61.9 Favored Glycine 0 N--CA 1.448 -0.557 0 C-N-CA 120.91 -0.662 . . . . 0.0 112.773 178.014 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 71' ' ' SER . . . . . . . . . . . . . 13.8 t -92.4 -11.16 35.63 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 109.518 -0.549 . . . . 0.0 109.518 177.046 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 72' ' ' VAL . . . . . . . . . . . . . 17.6 t -74.8 136.49 25.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 N-CA-C 108.77 -0.826 . . . . 0.0 108.77 174.855 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 73' ' ' GLY . . . . . . . . . . . . . . . -76.97 35.53 1.46 Allowed Glycine 0 CA--C 1.522 0.492 0 N-CA-C 114.705 0.642 . . . . 0.0 114.705 -170.298 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 74' ' ' LYS . . . . . . . . . . . . . 58.0 mttp 62.4 -71.3 0.05 OUTLIER 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 123.762 0.825 . . . . 0.0 112.566 175.411 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 75' ' ' LYS . . . . . . . . . . . . . 21.8 tptm -58.77 -36.66 74.77 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.918 0.39 . . . . 0.0 110.262 178.372 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 76' ' ' GLU . . . . . 0.402 ' O ' HG13 ' B' ' 80' ' ' ILE . 15.8 tp10 -60.9 -43.15 98.91 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.003 -0.544 . . . . 0.0 109.884 176.652 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 77' ' ' ALA . . . . . . . . . . . . . . . -62.58 -38.53 90.47 Favored 'General case' 0 C--O 1.224 -0.259 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.435 178.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 78' ' ' MET . . . . . . . . . . . . . 65.1 mtt -59.04 -39.55 82.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.123 0.487 . . . . 0.0 110.262 177.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 79' ' ' GLU . . . . . . . . . . . . . 19.8 mm-40 -71.75 -45.64 61.07 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.503 -0.771 . . . . 0.0 111.134 178.664 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 80' ' ' ILE . . . . . 0.402 HG13 ' O ' ' B' ' 76' ' ' GLU . 89.2 mt -60.67 -50.14 81.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.778 178.362 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 81' ' ' ILE . . . . . . . . . . . . . 36.2 mm -64.35 -35.34 73.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.282 -178.074 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 82' ' ' LYS . . . . . . . . . . . . . 23.2 tptm -63.17 -44.47 95.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.975 0.417 . . . . 0.0 110.121 177.902 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 83' ' ' LYS . . . . . . . . . . . . . 63.7 tttm -70.77 -32.32 69.42 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.124 178.251 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 84' ' ' PHE . . . . . 0.541 ' HA ' ' CZ ' ' A' ' 56' ' ' PHE . 5.3 t80 -62.34 -53.68 51.57 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.649 -0.705 . . . . 0.0 109.798 177.94 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 85' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -59.03 -36.77 75.55 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.852 177.106 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 86' ' ' LYS . . . . . . . . . . . . . 53.7 tptt -66.75 -40.13 88.18 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.855 -179.234 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 87' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -68.61 -38.41 80.56 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 109.52 -0.548 . . . . 0.0 109.52 178.505 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 88' ' ' LEU . . . . . 0.531 ' HG ' ' O ' ' B' ' 84' ' ' PHE . 92.7 mt -62.01 -37.16 83.84 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.552 175.888 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 89' ' ' ALA . . . . . 0.524 ' O ' ' HG3' ' B' ' 93' ' ' ARG . . . -62.59 -48.66 78.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.78 179.336 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 90' ' ' ALA . . . . . 0.545 ' O ' HG13 ' B' ' 94' ' ' ILE . . . -61.96 -45.61 92.89 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.276 177.573 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 91' ' ' MET . . . . . 0.634 ' SD ' HD22 ' A' ' 51' ' ' LEU . 49.5 ttp -56.1 -44.62 79.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.489 -0.778 . . . . 0.0 110.744 178.004 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 92' ' ' LEU . . . . . . . . . . . . . 67.4 tp -57.64 -41.92 82.38 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.599 -0.728 . . . . 0.0 111.255 179.116 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 93' ' ' ARG . . . . . 0.524 ' HG3' ' O ' ' B' ' 89' ' ' ALA . 30.7 mtm180 -64.35 -34.12 77.42 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.514 -179.645 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 94' ' ' ILE . . . . . 0.545 HG13 ' O ' ' B' ' 90' ' ' ALA . 11.9 mt -74.45 -26.4 20.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.421 179.096 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 95' ' ' ILE . . . . . 0.545 HD11 ' NE1' ' A' ' 69' ' ' TRP . 22.1 mm -60.9 -44.76 98.54 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.151 0 CA-C-O 121.705 0.764 . . . . 0.0 109.107 171.812 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 96' ' ' ASN . . . . . . . . . . . . . 45.6 t30 -65.12 -29.34 70.19 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.167 -0.924 . . . . 0.0 109.82 176.316 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 97' ' ' ALA . . . . . . . . . . . . . . . -82.36 2.39 32.55 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.67 -0.696 . . . . 0.0 111.702 178.791 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 98' ' ' ARG . . . . . 0.417 ' HG2' ' O ' ' B' ' 94' ' ' ILE . 6.4 mmp_? . . . . . 0 N--CA 1.465 0.29 0 CA-C-O 121.534 0.683 . . . . 0.0 109.646 175.745 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.587 0 N-CA-C 111.694 -0.562 . . . . 0.0 111.694 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.449 ' O ' HG21 ' A' ' 47' ' ' VAL . 32.4 Cg_exo -59.77 170.56 3.46 Favored 'Trans proline' 0 C--N 1.344 0.336 0 C-N-CA 123.028 2.485 . . . . 0.0 112.252 177.325 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.537 ' HB ' HG12 ' A' ' 72' ' ' VAL . 35.4 pt -52.63 -43.28 43.2 Favored 'Isoleucine or valine' 0 C--O 1.24 0.604 0 N-CA-C 112.664 0.616 . . . . 0.0 112.664 -172.162 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 88.8 mtt180 -65.1 -40.48 94.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.124 0.488 . . . . 0.0 110.729 178.749 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' MET . . . . . 0.623 ' O ' HG13 ' A' ' 50' ' ' ILE . 1.8 mpt? -69.47 -25.88 64.3 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.855 176.399 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.498 ' HB ' ' O ' ' A' ' 44' ' ' ILE . 74.9 t -56.73 -48.73 80.45 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.152 0 N-CA-C 109.541 -0.54 . . . . 0.0 109.541 174.009 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -62.19 -38.0 87.43 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.969 -0.56 . . . . 0.0 111.086 176.005 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -63.11 -50.99 68.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.465 178.471 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.623 HG13 ' O ' ' A' ' 46' ' ' MET . 44.9 mt -65.75 -32.84 59.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.063 179.866 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 12.8 tp -60.05 -53.93 52.02 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.119 176.111 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.66 -38.96 82.88 Favored 'General case' 0 CA--C 1.518 -0.26 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.847 179.83 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 82.5 t80 -53.18 -64.2 0.9 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.17 175.263 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.402 HD11 ' HA ' ' A' ' 61' ' ' PRO . 74.6 mt -58.03 -40.21 80.32 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.944 -178.195 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 21.5 mmm180 -64.11 -53.61 46.94 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 112.357 0.502 . . . . 0.0 112.357 -178.811 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . 0.512 ' CZ ' HG22 ' B' ' 80' ' ' ILE . 5.6 t80 -79.17 -8.11 58.74 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 120.862 0.363 . . . . 0.0 110.892 -173.897 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' THR . . . . . 0.434 ' HA ' ' HG3' ' B' ' 46' ' ' MET . 49.4 p -97.9 -1.86 42.0 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.141 0.496 . . . . 0.0 110.144 173.378 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . 64.91 33.97 9.5 Favored 'General case' 0 N--CA 1.465 0.275 0 CA-C-N 114.906 -1.043 . . . . 0.0 111.896 179.29 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 65.7 mt -101.57 145.3 11.81 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.684 0 N-CA-C 108.758 -0.83 . . . . 0.0 108.758 174.414 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 60.5 tttp -63.99 119.83 58.62 Favored Pre-proline 0 C--N 1.328 -0.33 0 N-CA-C 110.447 -0.205 . . . . 0.0 110.447 178.153 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . 0.402 ' HA ' HD11 ' A' ' 54' ' ' LEU . 31.7 Cg_exo -59.23 115.21 2.41 Favored 'Trans proline' 0 N--CA 1.46 -0.497 0 C-N-CA 122.463 2.109 . . . . 0.0 111.265 175.748 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 8.6 m -57.03 147.61 23.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.853 -179.376 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 98.3 mt -61.89 -23.45 66.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.269 -0.878 . . . . 0.0 112.081 -173.743 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -62.5 -43.85 98.43 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.5 -0.857 . . . . 0.0 111.538 174.503 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.521 ' O ' ' HB2' ' A' ' 69' ' ' TRP . 3.5 mm? -66.71 -43.88 83.13 Favored 'General case' 0 C--O 1.221 -0.406 0 N-CA-C 109.94 -0.393 . . . . 0.0 109.94 177.775 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 40.9 mm -66.48 -34.8 72.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.399 -177.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 65.4 t30 -70.5 -42.87 70.76 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.785 -179.158 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 67.7 ttt180 -86.74 -12.88 46.91 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.217 0.532 . . . . 0.0 110.171 -177.473 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' TRP . . . . . 0.521 ' HB2' ' O ' ' A' ' 65' ' ' LEU . 16.0 t90 -51.31 -53.26 37.62 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.005 -0.998 . . . . 0.0 110.897 178.526 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -86.75 20.57 23.28 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.547 -0.835 . . . . 0.0 112.17 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 23.1 t -123.34 10.06 9.2 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.365 0.602 . . . . 0.0 109.718 178.547 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.537 HG12 ' HB ' ' A' ' 44' ' ' ILE . 78.8 t -81.31 -16.84 12.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-O 122.502 1.144 . . . . 0.0 110.635 179.525 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 80.79 119.82 0.43 Allowed Glycine 0 C--N 1.304 -1.211 0 CA-C-N 113.628 -1.623 . . . . 0.0 110.114 -169.647 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . 0.504 ' O ' ' HG3' ' A' ' 78' ' ' MET . 9.6 ptpp? -63.98 -22.14 66.8 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 117.356 0.578 . . . . 0.0 109.915 -176.782 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 52.8 tptt -63.96 -54.28 36.99 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.432 -0.804 . . . . 0.0 110.174 173.802 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 20.2 tp10 -67.21 -35.99 80.77 Favored 'General case' 0 N--CA 1.451 -0.383 0 CA-C-N 115.565 -0.743 . . . . 0.0 109.954 179.296 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . 0.593 ' O ' HG12 ' A' ' 81' ' ' ILE . . . -57.32 -43.53 83.38 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.585 -0.28 . . . . 0.0 110.706 177.724 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' MET . . . . . 0.608 ' O ' ' HG2' ' A' ' 82' ' ' LYS . 68.6 mtt -59.52 -48.69 80.66 Favored 'General case' 0 CA--C 1.52 -0.191 0 N-CA-C 109.885 -0.413 . . . . 0.0 109.885 176.115 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . 0.4 ' HB3' ' HZ2' ' A' ' 83' ' ' LYS . 51.4 mm-40 -57.87 -42.12 83.89 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.579 -0.737 . . . . 0.0 111.144 178.678 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . 0.525 HG22 ' CZ ' ' B' ' 56' ' ' PHE . 93.0 mt -60.57 -56.04 20.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-N 115.555 -0.748 . . . . 0.0 110.958 176.758 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . 0.593 HG12 ' O ' ' A' ' 77' ' ' ALA . 48.4 mm -56.4 -41.83 72.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.205 -176.583 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . 0.608 ' HG2' ' O ' ' A' ' 78' ' ' MET . 34.3 mmtp -60.0 -54.03 50.8 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.481 -0.327 . . . . 0.0 110.995 179.367 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . 0.4 ' HZ2' ' HB3' ' A' ' 79' ' ' GLU . 57.9 mttp -71.69 -24.98 61.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.896 -176.628 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . 0.418 ' O ' ' HG ' ' A' ' 88' ' ' LEU . 1.7 t80 -64.91 -48.7 73.2 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 109.04 -0.726 . . . . 0.0 109.04 175.349 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . 0.467 ' HG3' ' O ' ' A' ' 81' ' ' ILE . 97.9 mttt -61.72 -34.94 76.68 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.473 -0.785 . . . . 0.0 111.035 178.676 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . 0.584 ' HG2' ' O ' ' A' ' 82' ' ' LYS . 32.0 mmmt -64.87 -43.52 92.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.295 -0.412 . . . . 0.0 111.046 -179.762 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -70.12 -36.11 74.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.297 -0.41 . . . . 0.0 109.962 -179.305 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.421 ' HB3' HD11 ' B' ' 81' ' ' ILE . 90.2 mt -61.95 -47.96 82.53 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.517 177.005 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -63.22 -36.21 82.9 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.78 -0.645 . . . . 0.0 110.957 -179.871 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . 0.554 ' O ' HG13 ' A' ' 94' ' ' ILE . . . -64.29 -49.66 70.94 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.527 177.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' MET . . . . . 0.569 ' O ' HG12 ' A' ' 95' ' ' ILE . 23.3 mmt -61.55 -36.91 81.95 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.926 -179.933 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.418 ' HB2' HG13 ' B' ' 81' ' ' ILE . 68.5 tp -56.19 -49.57 73.68 Favored 'General case' 0 C--O 1.239 0.539 0 CA-C-O 121.33 0.586 . . . . 0.0 110.854 176.389 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 72.7 ttt180 -61.6 -34.61 75.93 Favored 'General case' 0 N--CA 1.442 -0.86 0 CA-C-N 115.561 -0.745 . . . . 0.0 110.549 -179.762 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . 0.554 HG13 ' O ' ' A' ' 90' ' ' ALA . 36.9 mt -72.32 -31.32 38.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.451 -0.34 . . . . 0.0 110.709 179.057 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . 0.569 HG12 ' O ' ' A' ' 91' ' ' MET . 23.1 mm -55.13 -47.85 76.83 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.227 0 N-CA-C 109.37 -0.604 . . . . 0.0 109.37 173.736 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 41.3 t30 -69.08 -41.25 77.79 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.474 -0.784 . . . . 0.0 110.566 176.818 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -62.75 -17.5 61.03 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 112.548 0.573 . . . . 0.0 112.548 -174.3 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . 0.538 ' HG3' ' O ' ' A' ' 94' ' ' ILE . 19.6 mtp180 . . . . . 0 C--N 1.33 -0.279 0 CA-C-O 120.967 0.413 . . . . 0.0 110.797 177.27 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 42' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.528 0 N-CA-C 111.712 -0.555 . . . . 0.0 111.712 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 43' ' ' PRO . . . . . 0.447 ' O ' HG21 ' B' ' 47' ' ' VAL . 33.2 Cg_exo -59.15 170.62 2.8 Favored 'Trans proline' 0 C--N 1.343 0.259 0 C-N-CA 123.056 2.504 . . . . 0.0 112.331 177.597 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 44' ' ' ILE . . . . . 0.517 ' HB ' HG12 ' B' ' 72' ' ' VAL . 35.6 pt -52.74 -43.19 44.12 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.598 0 N-CA-C 112.54 0.57 . . . . 0.0 112.54 -171.944 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 89.1 mtt180 -65.28 -40.27 93.65 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.107 0.48 . . . . 0.0 110.721 178.902 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 46' ' ' MET . . . . . 0.609 ' O ' HG13 ' B' ' 50' ' ' ILE . 1.8 mpt? -69.77 -25.76 63.96 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.731 176.358 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 47' ' ' VAL . . . . . 0.498 ' HB ' ' O ' ' B' ' 44' ' ' ILE . 74.5 t -56.74 -48.69 80.51 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.178 0 N-CA-C 109.59 -0.522 . . . . 0.0 109.59 173.953 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -62.15 -38.02 87.43 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.091 175.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -63.1 -51.01 68.26 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.884 0.373 . . . . 0.0 111.437 178.53 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 50' ' ' ILE . . . . . 0.609 HG13 ' O ' ' B' ' 46' ' ' MET . 45.3 mt -65.75 -32.76 59.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.021 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 12.8 tp -60.19 -53.86 52.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.747 -0.66 . . . . 0.0 110.061 176.199 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.62 -38.95 82.71 Favored 'General case' 0 CA--C 1.517 -0.294 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.846 179.809 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 53' ' ' PHE . . . . . . . . . . . . . 82.6 t80 -53.28 -64.28 0.87 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.161 175.326 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 54' ' ' LEU . . . . . 0.41 HD11 ' HA ' ' B' ' 61' ' ' PRO . 74.9 mt -57.82 -40.35 79.8 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.888 -178.262 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 55' ' ' ARG . . . . . . . . . . . . . 21.5 mmm180 -64.21 -52.91 56.53 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 112.496 0.554 . . . . 0.0 112.496 -178.648 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 56' ' ' PHE . . . . . 0.525 ' CZ ' HG22 ' A' ' 80' ' ' ILE . 5.6 t80 -80.03 -7.54 58.89 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 120.913 0.387 . . . . 0.0 110.854 -174.074 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 57' ' ' THR . . . . . 0.447 ' HA ' ' HG3' ' A' ' 46' ' ' MET . 49.9 p -98.43 -1.2 41.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.056 0.455 . . . . 0.0 110.112 173.14 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . 64.1 34.33 11.25 Favored 'General case' 0 C--O 1.233 0.189 0 CA-C-N 115.019 -0.991 . . . . 0.0 111.942 179.337 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 59' ' ' ILE . . . . . . . . . . . . . 66.1 mt -102.08 144.79 12.86 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.674 0 N-CA-C 108.877 -0.786 . . . . 0.0 108.877 174.396 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 60.9 tttp -63.45 119.79 56.59 Favored Pre-proline 0 C--N 1.329 -0.313 0 N-CA-C 110.423 -0.214 . . . . 0.0 110.423 178.457 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 61' ' ' PRO . . . . . 0.41 ' HA ' HD11 ' B' ' 54' ' ' LEU . 32.2 Cg_exo -59.27 115.4 2.55 Favored 'Trans proline' 0 N--CA 1.46 -0.457 0 C-N-CA 122.366 2.044 . . . . 0.0 111.331 175.853 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 9.7 m -57.22 147.45 25.17 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.321 0.581 . . . . 0.0 110.886 -179.275 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 97.5 mt -61.82 -23.45 66.25 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.179 -0.919 . . . . 0.0 112.039 -173.625 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -62.77 -43.66 98.61 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.55 -0.834 . . . . 0.0 111.519 174.487 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 65' ' ' LEU . . . . . 0.507 ' O ' ' HB2' ' B' ' 69' ' ' TRP . 3.5 mm? -66.59 -44.14 82.99 Favored 'General case' 0 C--O 1.22 -0.47 0 N-CA-C 109.932 -0.395 . . . . 0.0 109.932 177.457 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 66' ' ' ILE . . . . . . . . . . . . . 41.3 mm -66.2 -34.75 72.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.393 -177.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 67' ' ' ASN . . . . . . . . . . . . . 65.4 t30 -70.58 -42.94 70.4 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.685 -178.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 68' ' ' ARG . . . . . . . . . . . . . 67.9 ttt180 -86.81 -12.73 47.14 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.248 0.547 . . . . 0.0 110.138 -177.399 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 69' ' ' TRP . . . . . 0.507 ' HB2' ' O ' ' B' ' 65' ' ' LEU . 15.9 t90 -51.41 -53.1 40.12 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.009 -0.996 . . . . 0.0 110.955 178.499 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . -86.59 20.19 24.58 Favored Glycine 0 N--CA 1.45 -0.432 0 C-N-CA 120.529 -0.843 . . . . 0.0 112.187 -179.877 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 71' ' ' SER . . . . . . . . . . . . . 18.1 t -123.1 9.72 9.32 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.349 0.595 . . . . 0.0 109.642 178.683 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 72' ' ' VAL . . . . . 0.517 HG12 ' HB ' ' B' ' 44' ' ' ILE . 79.3 t -80.51 -17.23 12.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 122.348 1.071 . . . . 0.0 110.592 179.552 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 73' ' ' GLY . . . . . . . . . . . . . . . 81.23 120.05 0.48 Allowed Glycine 0 C--N 1.304 -1.217 0 CA-C-N 113.648 -1.614 . . . . 0.0 110.091 -169.575 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 74' ' ' LYS . . . . . 0.505 ' O ' ' HG3' ' B' ' 78' ' ' MET . 9.6 ptpp? -64.4 -21.79 66.75 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 117.427 0.614 . . . . 0.0 109.946 -176.631 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 75' ' ' LYS . . . . . . . . . . . . . 52.7 tptt -64.36 -54.44 32.96 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.423 -0.808 . . . . 0.0 110.031 173.724 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 20.8 tp10 -66.85 -35.94 81.19 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.083 179.271 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 77' ' ' ALA . . . . . 0.607 ' O ' HG12 ' B' ' 81' ' ' ILE . . . -57.45 -43.68 84.16 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.674 177.818 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 78' ' ' MET . . . . . 0.595 ' O ' ' HG2' ' B' ' 82' ' ' LYS . 68.5 mtt -59.15 -49.1 79.14 Favored 'General case' 0 CA--C 1.52 -0.199 0 N-CA-C 109.782 -0.451 . . . . 0.0 109.782 176.137 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 79' ' ' GLU . . . . . 0.402 ' HB3' ' HZ2' ' B' ' 83' ' ' LYS . 45.8 mm-40 -57.71 -42.04 82.96 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.514 -0.767 . . . . 0.0 111.255 178.737 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 80' ' ' ILE . . . . . 0.512 HG22 ' CZ ' ' A' ' 56' ' ' PHE . 93.2 mt -60.5 -56.23 19.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-N 115.582 -0.735 . . . . 0.0 110.935 176.613 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 81' ' ' ILE . . . . . 0.607 HG12 ' O ' ' B' ' 77' ' ' ALA . 48.4 mm -56.17 -41.95 71.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.172 -176.625 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 82' ' ' LYS . . . . . 0.595 ' HG2' ' O ' ' B' ' 78' ' ' MET . 34.3 mmtp -59.96 -53.9 52.37 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.112 179.427 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 83' ' ' LYS . . . . . 0.402 ' HZ2' ' HB3' ' B' ' 79' ' ' GLU . 57.9 mttp -71.79 -24.95 61.83 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.915 -176.891 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 84' ' ' PHE . . . . . 0.419 ' O ' ' HG ' ' B' ' 88' ' ' LEU . 1.7 t80 -64.9 -48.64 73.47 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 109.093 -0.706 . . . . 0.0 109.093 175.413 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 85' ' ' LYS . . . . . 0.463 ' HG3' ' O ' ' B' ' 81' ' ' ILE . 97.7 mttt -61.81 -35.07 77.14 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.372 -0.831 . . . . 0.0 111.108 178.722 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 86' ' ' LYS . . . . . 0.592 ' HG2' ' O ' ' B' ' 82' ' ' LYS . 32.0 mmmt -64.36 -44.19 92.17 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.917 179.915 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 87' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -69.82 -36.03 75.28 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.035 0.445 . . . . 0.0 110.001 -178.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 88' ' ' LEU . . . . . 0.429 ' HB3' HD11 ' A' ' 81' ' ' ILE . 89.9 mt -61.86 -47.92 82.85 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.563 176.892 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -63.55 -35.9 82.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.897 -179.816 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 90' ' ' ALA . . . . . 0.531 ' O ' HG13 ' B' ' 94' ' ' ILE . . . -64.31 -49.73 70.6 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.396 177.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 91' ' ' MET . . . . . 0.564 ' O ' HG12 ' B' ' 95' ' ' ILE . 23.3 mmt -61.56 -36.73 81.45 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.03 -179.894 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 92' ' ' LEU . . . . . 0.42 ' HB2' HG13 ' A' ' 81' ' ' ILE . 68.6 tp -56.4 -49.52 74.27 Favored 'General case' 0 C--O 1.24 0.56 0 CA-C-O 121.348 0.594 . . . . 0.0 110.833 176.379 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 93' ' ' ARG . . . . . . . . . . . . . 72.8 ttt180 -61.48 -34.8 76.08 Favored 'General case' 0 N--CA 1.442 -0.848 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.484 -179.88 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 94' ' ' ILE . . . . . 0.535 ' O ' ' HG3' ' B' ' 98' ' ' ARG . 36.3 mt -72.17 -31.37 39.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.46 -0.336 . . . . 0.0 110.714 179.111 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 95' ' ' ILE . . . . . 0.564 HG12 ' O ' ' B' ' 91' ' ' MET . 23.2 mm -55.15 -47.75 77.0 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.282 0 N-CA-C 109.401 -0.592 . . . . 0.0 109.401 173.73 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 96' ' ' ASN . . . . . . . . . . . . . 41.5 t30 -69.22 -41.2 77.34 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.544 -0.753 . . . . 0.0 110.567 176.882 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 97' ' ' ALA . . . . . . . . . . . . . . . -62.56 -17.99 61.13 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 112.604 0.594 . . . . 0.0 112.604 -174.405 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 98' ' ' ARG . . . . . 0.535 ' HG3' ' O ' ' B' ' 94' ' ' ILE . 19.7 mtp180 . . . . . 0 C--N 1.33 -0.253 0 CA-C-O 120.906 0.384 . . . . 0.0 110.834 177.313 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . 0.418 ' HA2' ' HD3' ' A' ' 43' ' ' PRO . . . . . . . . 0 N--CA 1.442 -0.908 0 N-CA-C 111.85 -0.5 . . . . 0.0 111.85 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.5 ' O ' HG21 ' A' ' 47' ' ' VAL . 23.5 Cg_exo -64.65 176.59 2.75 Favored 'Trans proline' 0 C--N 1.343 0.254 0 C-N-CA 122.811 2.341 . . . . 0.0 112.112 176.28 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 22.0 pt -51.14 -39.26 19.99 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.395 0 N-CA-C 112.627 0.603 . . . . 0.0 112.627 -173.823 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 97.7 mtt180 -61.54 -45.58 93.56 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.284 0.564 . . . . 0.0 110.634 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' MET . . . . . 0.551 ' HG2' ' HA ' ' B' ' 57' ' ' THR . 72.5 mtp -70.48 -28.04 64.68 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.63 -0.714 . . . . 0.0 111.154 -179.631 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.5 HG21 ' O ' ' A' ' 43' ' ' PRO . 83.3 t -61.86 -48.18 89.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 120.777 0.323 . . . . 0.0 110.419 177.251 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 87.4 mt -64.52 -37.9 89.14 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.622 178.338 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -66.15 -48.99 68.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.563 179.16 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 15.9 tt -71.36 -26.83 27.37 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-O 120.733 0.301 . . . . 0.0 110.667 -177.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.653 ' O ' ' HG2' ' A' ' 55' ' ' ARG . 11.7 tp -65.33 -54.3 30.94 Favored 'General case' 0 N--CA 1.451 -0.415 0 N-CA-C 109.7 -0.481 . . . . 0.0 109.7 177.097 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -56.93 -40.12 75.76 Favored 'General case' 0 CA--C 1.516 -0.33 0 O-C-N 123.35 0.407 . . . . 0.0 110.303 178.345 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . 0.409 ' CE1' HG23 ' A' ' 57' ' ' THR . 71.1 t80 -51.13 -60.82 2.69 Favored 'General case' 0 N--CA 1.451 -0.399 0 CA-C-N 115.406 -0.815 . . . . 0.0 109.871 173.136 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 96.1 mt -63.08 -23.32 67.39 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.304 -0.407 . . . . 0.0 112.087 -178.466 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.653 ' HG2' ' O ' ' A' ' 51' ' ' LEU . 15.9 mmm180 -72.22 -43.78 63.92 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-O 120.773 0.321 . . . . 0.0 111.073 178.58 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . 0.512 ' CZ ' ' HA ' ' B' ' 84' ' ' PHE . 57.9 m-85 -96.56 -14.99 21.85 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 112.172 0.434 . . . . 0.0 112.172 -175.213 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' THR . . . . . 0.535 ' HA ' ' HG2' ' B' ' 46' ' ' MET . 73.2 p -100.8 -23.96 14.49 Favored 'General case' 0 C--N 1.325 -0.488 0 C-N-CA 120.284 -0.566 . . . . 0.0 111.602 178.753 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -131.5 -164.7 1.48 Allowed 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.691 -175.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 50.0 mm -93.38 -67.64 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-O 121.589 0.709 . . . . 0.0 110.701 179.568 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -131.33 127.01 21.61 Favored Pre-proline 0 C--N 1.301 -1.541 0 CA-C-N 114.523 -1.217 . . . . 0.0 110.936 -178.438 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 28.6 Cg_exo -63.32 151.36 85.25 Favored 'Trans proline' 0 C--N 1.344 0.304 0 C-N-CA 123.093 2.528 . . . . 0.0 112.324 176.113 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 14.7 m -65.79 147.56 53.18 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.663 -0.699 . . . . 0.0 111.123 179.909 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 88.8 mt -63.53 -19.96 65.22 Favored 'General case' 0 C--N 1.334 -0.105 0 CA-C-N 115.268 -0.878 . . . . 0.0 112.066 -173.851 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -62.96 -46.18 94.1 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.895 -0.669 . . . . 0.0 111.503 174.808 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -67.62 -38.49 83.99 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 109.636 -0.505 . . . . 0.0 109.636 177.206 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 47.2 mm -61.91 -35.15 66.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.89 178.191 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 27.5 t-20 -69.42 -41.44 76.34 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.901 179.028 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 27.9 ttm180 -79.56 -18.53 51.54 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.349 0.595 . . . . 0.0 110.084 -178.776 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' TRP . . . . . 0.547 ' NE1' HD11 ' B' ' 95' ' ' ILE . 16.9 t90 -58.61 -47.73 83.37 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 114.918 -1.037 . . . . 0.0 110.997 179.328 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -78.21 0.49 73.86 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.814 -0.708 . . . . 0.0 112.681 -179.807 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 19.4 m -92.02 -3.98 55.1 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.09 0.471 . . . . 0.0 110.512 179.701 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 45.6 t -77.64 140.58 16.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-N 115.89 -0.595 . . . . 0.0 109.996 178.004 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -64.71 135.8 38.46 Favored Glycine 0 N--CA 1.439 -1.106 0 N-CA-C 110.512 -1.035 . . . . 0.0 110.512 174.467 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . 0.466 ' O ' ' HG3' ' A' ' 78' ' ' MET . 30.5 mmtm -68.04 -33.36 74.43 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-O 121.162 0.506 . . . . 0.0 109.721 -173.032 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 20.7 tptm -69.21 -47.43 64.83 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.363 -0.835 . . . . 0.0 110.023 174.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . 0.434 ' O ' HG13 ' A' ' 80' ' ' ILE . 5.1 tp10 -59.72 -43.83 93.98 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.358 -0.837 . . . . 0.0 109.936 -179.471 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -58.36 -42.53 87.12 Favored 'General case' 0 N--CA 1.453 -0.292 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.908 179.038 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' MET . . . . . 0.466 ' HG3' ' O ' ' A' ' 74' ' ' LYS . 61.1 mtt -58.16 -43.96 87.7 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-O 120.932 0.396 . . . . 0.0 110.646 179.43 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . 0.458 ' O ' ' HG3' ' A' ' 83' ' ' LYS . 36.5 mt-10 -72.39 -40.42 67.24 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.773 -0.649 . . . . 0.0 111.209 -178.788 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . 0.434 HG13 ' O ' ' A' ' 76' ' ' GLU . 96.4 mt -62.04 -47.98 90.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.683 0.278 . . . . 0.0 110.598 178.39 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 39.1 mm -61.02 -37.05 76.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.716 178.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . 0.431 ' HB2' ' HZ1' ' A' ' 82' ' ' LYS . 0.0 OUTLIER -62.08 -46.97 86.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.337 176.766 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . 0.458 ' HG3' ' O ' ' A' ' 79' ' ' GLU . 90.9 mttt -67.2 -35.95 80.7 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.538 179.54 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . 0.524 ' HA ' ' CZ ' ' B' ' 56' ' ' PHE . 2.2 t80 -62.41 -49.72 74.37 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.066 179.629 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -63.14 -31.59 72.77 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.735 178.489 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 16.8 tppt? -65.21 -47.3 77.35 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.409 179.147 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -68.4 -32.26 72.2 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.771 -179.605 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.454 ' HG ' ' O ' ' A' ' 84' ' ' PHE . 91.8 mt -66.03 -38.66 88.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.476 175.6 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . 0.446 ' O ' ' HG3' ' A' ' 93' ' ' ARG . . . -62.18 -47.97 82.13 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.321 177.783 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . 0.609 ' O ' HG13 ' A' ' 94' ' ' ILE . . . -60.45 -48.35 82.15 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.159 176.656 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' MET . . . . . 0.433 ' O ' HG12 ' A' ' 95' ' ' ILE . 39.4 ttm -51.9 -49.23 63.44 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.414 -0.812 . . . . 0.0 111.013 178.613 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 48.8 tp -56.74 -46.17 81.53 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.546 -0.752 . . . . 0.0 111.545 -179.236 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . 0.446 ' HG3' ' O ' ' A' ' 89' ' ' ALA . 27.0 mtm180 -64.95 -33.9 77.14 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.328 -0.397 . . . . 0.0 110.788 -177.829 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . 0.609 HG13 ' O ' ' A' ' 90' ' ' ALA . 25.9 mt -73.05 -31.2 34.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.599 -0.273 . . . . 0.0 110.556 179.462 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . 0.547 HD11 ' NE1' ' B' ' 69' ' ' TRP . 24.4 mm -55.99 -50.14 71.24 Favored 'Isoleucine or valine' 0 C--O 1.232 0.151 0 CA-C-O 121.6 0.714 . . . . 0.0 109.164 171.821 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 43.4 m-80 -67.46 -21.6 65.53 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.026 -0.988 . . . . 0.0 110.741 178.722 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -82.58 10.79 6.67 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 120.913 0.387 . . . . 0.0 110.662 178.036 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . 0.478 ' HA ' ' NE ' ' A' ' 98' ' ' ARG . 4.0 mmp_? . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.685 178.164 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 42' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.44 -1.036 0 N-CA-C 111.844 -0.502 . . . . 0.0 111.844 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 43' ' ' PRO . . . . . 0.485 ' O ' HG21 ' B' ' 47' ' ' VAL . 23.5 Cg_exo -64.94 176.68 2.85 Favored 'Trans proline' 0 C--N 1.342 0.235 0 C-N-CA 122.759 2.306 . . . . 0.0 112.072 176.036 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 21.9 pt -51.05 -39.28 19.46 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.382 0 N-CA-C 112.695 0.628 . . . . 0.0 112.695 -173.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 97.7 mtt180 -61.73 -45.61 93.22 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.189 0.519 . . . . 0.0 110.566 -179.892 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 46' ' ' MET . . . . . 0.535 ' HG2' ' HA ' ' A' ' 57' ' ' THR . 72.5 mtp -70.33 -28.0 64.81 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.626 -0.716 . . . . 0.0 111.225 -179.773 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 47' ' ' VAL . . . . . 0.485 HG21 ' O ' ' B' ' 43' ' ' PRO . 83.4 t -61.84 -48.19 89.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 120.852 0.358 . . . . 0.0 110.466 177.221 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 86.5 mt -64.54 -37.8 88.8 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.586 178.378 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -66.24 -48.93 68.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.544 179.178 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 50' ' ' ILE . . . . . . . . . . . . . 15.8 tt -71.43 -26.82 27.19 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 CA-C-O 120.704 0.287 . . . . 0.0 110.668 -178.003 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 51' ' ' LEU . . . . . 0.661 ' O ' ' HG2' ' B' ' 55' ' ' ARG . 11.6 tp -65.39 -54.2 32.15 Favored 'General case' 0 N--CA 1.45 -0.454 0 N-CA-C 109.744 -0.465 . . . . 0.0 109.744 177.077 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -56.96 -40.1 75.82 Favored 'General case' 0 CA--C 1.517 -0.307 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.327 178.384 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 53' ' ' PHE . . . . . 0.415 ' CE1' HG23 ' B' ' 57' ' ' THR . 71.1 t80 -51.19 -60.79 2.73 Favored 'General case' 0 N--CA 1.451 -0.397 0 CA-C-N 115.318 -0.856 . . . . 0.0 109.889 173.161 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 54' ' ' LEU . . . . . . . . . . . . . 96.3 mt -63.07 -23.35 67.41 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 112.088 0.403 . . . . 0.0 112.088 -178.505 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 55' ' ' ARG . . . . . 0.661 ' HG2' ' O ' ' B' ' 51' ' ' LEU . 15.8 mmm180 -72.07 -43.99 64.0 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.845 0.355 . . . . 0.0 111.093 178.613 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 56' ' ' PHE . . . . . 0.524 ' CZ ' ' HA ' ' A' ' 84' ' ' PHE . 58.1 m-85 -96.54 -14.81 22.01 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 112.203 0.446 . . . . 0.0 112.203 -175.198 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 57' ' ' THR . . . . . 0.551 ' HA ' ' HG2' ' A' ' 46' ' ' MET . 73.2 p -101.0 -23.65 14.48 Favored 'General case' 0 C--N 1.326 -0.451 0 C-N-CA 120.3 -0.56 . . . . 0.0 111.662 178.6 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -131.69 -164.68 1.48 Allowed 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.729 -176.041 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 59' ' ' ILE . . . . . . . . . . . . . 49.8 mm -93.31 -67.62 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 CA-C-O 121.656 0.741 . . . . 0.0 110.661 179.42 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 60' ' ' LYS . . . . . 0.403 ' HA ' ' HD3' ' B' ' 61' ' ' PRO . 88.5 tttt -131.48 127.18 21.52 Favored Pre-proline 0 C--N 1.3 -1.559 0 CA-C-N 114.54 -1.209 . . . . 0.0 110.999 -178.316 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 61' ' ' PRO . . . . . 0.403 ' HD3' ' HA ' ' B' ' 60' ' ' LYS . 29.3 Cg_exo -63.28 151.36 85.23 Favored 'Trans proline' 0 C--O 1.235 0.359 0 C-N-CA 123.064 2.509 . . . . 0.0 112.394 176.315 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 14.1 m -65.59 147.68 53.01 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.753 -0.658 . . . . 0.0 111.062 179.758 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 89.3 mt -63.91 -19.39 65.06 Favored 'General case' 0 C--N 1.333 -0.118 0 CA-C-N 115.31 -0.859 . . . . 0.0 111.96 -173.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -63.51 -45.8 93.92 Favored Glycine 0 N--CA 1.45 -0.415 0 C-N-CA 120.709 -0.758 . . . . 0.0 111.534 174.739 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -67.69 -38.71 84.06 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 109.611 -0.514 . . . . 0.0 109.611 177.156 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 66' ' ' ILE . . . . . . . . . . . . . 47.2 mm -61.71 -35.29 66.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.882 178.205 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 67' ' ' ASN . . . . . . . . . . . . . 27.4 t-20 -69.11 -42.26 76.32 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.707 179.084 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 68' ' ' ARG . . . . . . . . . . . . . 27.8 ttm180 -79.04 -18.46 53.48 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.387 0.613 . . . . 0.0 110.086 -178.543 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 69' ' ' TRP . . . . . 0.547 ' NE1' HD11 ' A' ' 95' ' ' ILE . 16.9 t90 -58.63 -47.77 83.27 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.001 -1.0 . . . . 0.0 111.019 179.259 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . -77.77 -0.2 73.67 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.695 -179.76 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 71' ' ' SER . . . . . . . . . . . . . 21.0 m -91.53 -4.28 55.6 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.115 0.483 . . . . 0.0 110.622 -179.901 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 72' ' ' VAL . . . . . . . . . . . . . 44.9 t -77.42 140.21 17.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.055 177.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 73' ' ' GLY . . . . . . . . . . . . . . . -64.42 135.9 39.34 Favored Glycine 0 N--CA 1.44 -1.097 0 N-CA-C 110.411 -1.076 . . . . 0.0 110.411 174.563 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 74' ' ' LYS . . . . . 0.474 ' O ' ' HG3' ' B' ' 78' ' ' MET . 30.7 mmtm -68.37 -33.2 73.84 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-O 121.136 0.493 . . . . 0.0 109.712 -172.896 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 75' ' ' LYS . . . . . . . . . . . . . 20.8 tptm -69.17 -47.7 64.24 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.448 -0.796 . . . . 0.0 110.056 174.715 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 76' ' ' GLU . . . . . 0.435 ' O ' HG13 ' B' ' 80' ' ' ILE . 5.2 tp10 -59.43 -43.79 93.02 Favored 'General case' 0 N--CA 1.451 -0.38 0 CA-C-N 115.448 -0.796 . . . . 0.0 109.987 -179.442 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 77' ' ' ALA . . . . . . . . . . . . . . . -58.41 -42.63 87.61 Favored 'General case' 0 N--CA 1.454 -0.269 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.88 179.098 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 78' ' ' MET . . . . . 0.474 ' HG3' ' O ' ' B' ' 74' ' ' LYS . 61.2 mtt -57.96 -43.75 86.64 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.722 179.358 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 79' ' ' GLU . . . . . 0.454 ' O ' ' HG3' ' B' ' 83' ' ' LYS . 37.0 mt-10 -72.86 -40.07 65.98 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.79 -0.641 . . . . 0.0 111.123 -178.637 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 80' ' ' ILE . . . . . 0.435 HG13 ' O ' ' B' ' 76' ' ' GLU . 96.6 mt -62.2 -47.89 90.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.674 0.273 . . . . 0.0 110.62 178.293 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 81' ' ' ILE . . . . . . . . . . . . . 39.1 mm -61.14 -37.11 76.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.735 179.025 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 82' ' ' LYS . . . . . 0.455 ' HZ1' ' HB2' ' B' ' 82' ' ' LYS . 0.0 OUTLIER -62.1 -46.93 86.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.35 176.726 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 83' ' ' LYS . . . . . 0.454 ' HG3' ' O ' ' B' ' 79' ' ' GLU . 90.8 mttt -67.1 -36.09 81.2 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.53 179.427 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 84' ' ' PHE . . . . . 0.512 ' HA ' ' CZ ' ' A' ' 56' ' ' PHE . 2.2 t80 -62.28 -49.83 74.09 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.046 179.725 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 85' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -62.98 -31.44 72.56 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.74 178.479 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 86' ' ' LYS . . . . . . . . . . . . . 16.8 tppt? -65.63 -46.75 78.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.449 179.47 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 87' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -68.73 -32.29 71.96 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.727 -179.678 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 88' ' ' LEU . . . . . 0.45 ' HG ' ' O ' ' B' ' 84' ' ' PHE . 92.0 mt -66.12 -38.68 88.76 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.46 175.677 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 89' ' ' ALA . . . . . 0.451 ' O ' ' HG3' ' B' ' 93' ' ' ARG . . . -62.13 -47.71 83.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.359 177.649 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 90' ' ' ALA . . . . . 0.612 ' O ' HG13 ' B' ' 94' ' ' ILE . . . -60.73 -48.1 83.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.176 176.749 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 91' ' ' MET . . . . . 0.435 ' O ' HG12 ' B' ' 95' ' ' ILE . 40.0 ttm -52.19 -49.22 64.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.404 -0.816 . . . . 0.0 110.891 178.678 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 92' ' ' LEU . . . . . . . . . . . . . 48.9 tp -56.63 -46.31 81.05 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.588 -0.733 . . . . 0.0 111.485 -179.236 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 93' ' ' ARG . . . . . 0.451 ' HG3' ' O ' ' B' ' 89' ' ' ALA . 26.6 mtm180 -64.8 -34.12 77.6 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.83 -177.836 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 94' ' ' ILE . . . . . 0.612 HG13 ' O ' ' B' ' 90' ' ' ALA . 24.5 mt -72.78 -31.38 36.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.662 -0.245 . . . . 0.0 110.544 179.453 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 95' ' ' ILE . . . . . 0.547 HD11 ' NE1' ' A' ' 69' ' ' TRP . 24.4 mm -55.88 -49.88 72.19 Favored 'Isoleucine or valine' 0 C--O 1.232 0.176 0 N-CA-C 109.093 -0.706 . . . . 0.0 109.093 171.805 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 96' ' ' ASN . . . . . . . . . . . . . 44.4 m-80 -67.69 -21.62 65.32 Favored 'General case' 0 CA--C 1.517 -0.302 0 CA-C-N 115.142 -0.935 . . . . 0.0 110.817 178.785 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 97' ' ' ALA . . . . . . . . . . . . . . . -82.59 10.64 6.98 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 120.892 0.377 . . . . 0.0 110.789 178.143 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 98' ' ' ARG . . . . . 0.484 ' NE ' ' HA ' ' B' ' 98' ' ' ARG . 4.1 mmp_? . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.6 178.186 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.522 0.483 0 CA-C-O 119.257 -0.746 . . . . 0.0 113.824 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 71.5 Cg_exo -43.68 157.57 0.13 Allowed 'Trans proline' 0 C--N 1.351 0.707 0 C-N-CA 123.521 2.814 . . . . 0.0 113.804 174.237 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 18.9 pt -53.0 -36.48 24.23 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.457 0 N-CA-C 114.053 1.131 . . . . 0.0 114.053 -168.29 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . 0.428 ' HG2' HG12 ' A' ' 80' ' ' ILE . 95.6 mtt180 -60.03 -44.03 94.92 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-O 121.501 0.667 . . . . 0.0 110.163 176.59 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' MET . . . . . 0.625 ' O ' HG13 ' A' ' 50' ' ' ILE . 1.7 mpt? -69.85 -29.56 66.84 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.147 -0.933 . . . . 0.0 110.527 179.65 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 96.2 t -58.28 -46.75 88.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-O 120.659 0.266 . . . . 0.0 110.441 177.167 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 11.1 mp -66.26 -35.67 81.01 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.942 177.476 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -66.86 -46.75 74.05 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.9 0.381 . . . . 0.0 111.23 177.61 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.625 HG13 ' O ' ' A' ' 46' ' ' MET . 66.2 mt -64.95 -33.8 66.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.059 -0.519 . . . . 0.0 109.686 177.755 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.495 HD23 ' NE1' ' A' ' 69' ' ' TRP . 5.4 tp -59.8 -55.95 27.84 Favored 'General case' 0 N--CA 1.451 -0.422 0 CA-C-N 115.659 -0.701 . . . . 0.0 110.046 175.725 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -55.29 -39.03 69.39 Favored 'General case' 0 C--O 1.233 0.205 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.771 179.458 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . 0.412 ' HB3' ' O ' ' A' ' 50' ' ' ILE . 77.2 t80 -54.84 -57.58 11.0 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.672 -0.694 . . . . 0.0 110.003 173.867 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 94.7 mt -69.32 -11.51 60.87 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.848 -178.191 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.487 ' HG2' ' O ' ' A' ' 51' ' ' LEU . 23.1 mmm180 -81.8 -48.48 11.55 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.092 0.472 . . . . 0.0 110.786 176.196 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 77.2 m-85 -96.78 -15.52 21.3 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.052 -0.522 . . . . 0.0 112.292 -173.774 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 12.0 p -110.24 -3.34 16.33 Favored 'General case' 0 C--N 1.325 -0.477 0 C-N-CA 120.274 -0.57 . . . . 0.0 111.225 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -152.18 179.51 8.45 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.722 -175.562 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 50.0 mm -114.72 113.76 44.62 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-N 115.887 -0.597 . . . . 0.0 109.809 176.875 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 20.8 ttpt 68.3 110.2 0.03 OUTLIER Pre-proline 0 N--CA 1.464 0.266 0 O-C-N 123.971 0.795 . . . . 0.0 111.224 -179.335 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 36.9 Cg_exo -61.04 147.66 95.06 Favored 'Trans proline' 0 C--O 1.232 0.215 0 C-N-CA 122.544 2.163 . . . . 0.0 111.61 174.6 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 9.5 m -61.81 141.9 57.64 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.472 -179.091 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 89.7 mt -61.62 -23.41 66.02 Favored 'General case' 0 N--CA 1.462 0.157 0 CA-C-N 115.612 -0.722 . . . . 0.0 112.356 -171.753 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -62.43 -47.05 92.29 Favored Glycine 0 C--O 1.24 0.472 0 C-N-CA 120.478 -0.868 . . . . 0.0 111.338 174.68 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -64.71 -42.42 95.28 Favored 'General case' 0 C--O 1.22 -0.482 0 N-CA-C 109.891 -0.411 . . . . 0.0 109.891 176.678 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 39.6 mm -59.18 -42.09 85.75 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.257 0 CA-C-O 121.135 0.493 . . . . 0.0 110.857 178.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 27.4 t-20 -59.41 -44.92 92.76 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.98 179.006 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 29.8 ttm180 -78.05 -28.38 48.95 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.348 0.594 . . . . 0.0 109.546 -177.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' TRP . . . . . 0.573 ' NE1' HD11 ' B' ' 95' ' ' ILE . 31.9 t90 -60.51 -46.43 90.19 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 114.842 -1.072 . . . . 0.0 110.61 177.783 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -71.73 -15.01 75.6 Favored Glycine 0 N--CA 1.449 -0.443 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.327 177.534 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 25.2 m -87.82 -14.49 39.4 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.781 0.324 . . . . 0.0 110.955 -178.654 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 55.0 t -63.58 136.41 26.28 Favored 'Isoleucine or valine' 0 C--O 1.239 0.539 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.602 178.131 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -62.91 140.4 45.65 Favored Glycine 0 N--CA 1.443 -0.847 0 N-CA-C 111.127 -0.789 . . . . 0.0 111.127 177.121 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . 0.41 ' CD ' HG21 ' B' ' 95' ' ' ILE . 41.4 mmtt -72.3 -32.18 66.35 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-O 120.998 0.427 . . . . 0.0 110.029 -171.648 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 22.8 tptm -65.91 -47.9 73.21 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.648 -0.705 . . . . 0.0 109.446 173.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . 0.608 ' O ' HG13 ' A' ' 80' ' ' ILE . 5.1 tp10 -58.91 -48.26 82.07 Favored 'General case' 0 N--CA 1.448 -0.554 0 CA-C-N 115.077 -0.965 . . . . 0.0 109.89 179.651 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -56.55 -41.77 77.41 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.46 -178.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' MET . . . . . 0.409 ' HG3' ' O ' ' A' ' 74' ' ' LYS . 63.9 mtt -59.42 -43.12 93.1 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-O 120.832 0.348 . . . . 0.0 110.55 178.662 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . 0.514 ' O ' ' HG2' ' A' ' 83' ' ' LYS . 38.9 mt-10 -70.44 -40.78 73.56 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.804 179.2 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . 0.608 HG13 ' O ' ' A' ' 76' ' ' GLU . 84.8 mt -60.56 -49.82 82.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.675 179.231 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 42.6 mm -59.96 -37.73 73.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.58 178.848 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 57.9 tttm -62.54 -46.19 89.5 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.362 178.529 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . 0.514 ' HG2' ' O ' ' A' ' 79' ' ' GLU . 11.6 mmpt? -66.68 -38.24 86.39 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.385 178.713 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . 0.415 ' O ' ' HG ' ' A' ' 88' ' ' LEU . 2.2 t80 -62.2 -49.71 74.68 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.246 -179.011 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -61.57 -34.39 75.51 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.852 178.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 86.9 tttt -65.2 -44.44 88.36 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.662 178.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . 0.614 ' O ' ' HG3' ' A' ' 91' ' ' MET . 16.8 t70 -68.88 -35.61 77.09 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 110.05 -0.352 . . . . 0.0 110.05 -178.6 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.415 ' HG ' ' O ' ' A' ' 84' ' ' PHE . 93.0 mt -59.74 -39.54 85.11 Favored 'General case' 0 N--CA 1.463 0.175 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.457 175.396 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -62.82 -40.64 98.02 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.459 177.735 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . 0.491 ' O ' HG13 ' A' ' 94' ' ' ILE . . . -64.03 -44.86 91.24 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.284 177.082 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' MET . . . . . 0.614 ' HG3' ' O ' ' A' ' 87' ' ' ASP . 54.9 mtt -55.28 -50.17 70.22 Favored 'General case' 0 CA--C 1.52 -0.209 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.162 177.421 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 67.7 tp -53.08 -47.86 68.21 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.333 -0.848 . . . . 0.0 111.77 -178.369 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 77.1 ttt180 -63.29 -38.33 90.74 Favored 'General case' 0 N--CA 1.445 -0.714 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.716 -178.453 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . 0.491 HG13 ' O ' ' A' ' 90' ' ' ALA . 55.4 mt -71.14 -32.79 48.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.611 179.402 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . 0.572 HD11 ' NE1' ' B' ' 69' ' ' TRP . 23.3 mm -53.71 -49.4 57.46 Favored 'Isoleucine or valine' 0 C--O 1.234 0.265 0 CA-C-O 121.315 0.579 . . . . 0.0 109.466 173.181 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 63.8 t30 -66.63 -35.98 81.49 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.096 -0.956 . . . . 0.0 110.72 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -68.33 -26.34 65.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.185 0.517 . . . . 0.0 110.45 177.832 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 36.0 mmt180 . . . . . 0 C--N 1.325 -0.467 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.99 177.443 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' B' B ' 42' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.522 0.52 0 CA-C-O 119.249 -0.751 . . . . 0.0 113.819 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' B' B ' 43' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_exo -43.92 157.4 0.15 Allowed 'Trans proline' 0 C--N 1.351 0.709 0 C-N-CA 123.473 2.782 . . . . 0.0 113.864 174.269 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 18.5 pt -52.66 -36.63 23.04 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.45 0 N-CA-C 114.032 1.123 . . . . 0.0 114.032 -168.242 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 45' ' ' ARG . . . . . 0.438 ' HG2' HG12 ' B' ' 80' ' ' ILE . 95.6 mtt180 -60.05 -43.85 95.1 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-O 121.48 0.657 . . . . 0.0 110.24 176.682 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 46' ' ' MET . . . . . 0.628 ' O ' HG13 ' B' ' 50' ' ' ILE . 1.7 mpt? -69.88 -29.62 66.88 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.145 -0.934 . . . . 0.0 110.574 179.564 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 47' ' ' VAL . . . . . . . . . . . . . 98.1 t -58.23 -46.85 88.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-O 120.636 0.255 . . . . 0.0 110.348 177.226 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 11.1 mp -66.21 -35.71 81.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.915 177.555 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -66.85 -46.68 74.27 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.841 0.353 . . . . 0.0 111.165 177.645 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 50' ' ' ILE . . . . . 0.628 HG13 ' O ' ' B' ' 46' ' ' MET . 66.1 mt -65.03 -33.96 67.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.074 -0.512 . . . . 0.0 109.65 177.811 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 51' ' ' LEU . . . . . 0.5 HD23 ' NE1' ' B' ' 69' ' ' TRP . 5.4 tp -59.64 -55.98 27.59 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.054 175.692 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -55.23 -39.06 69.26 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.859 179.379 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 53' ' ' PHE . . . . . 0.408 ' HB3' ' O ' ' B' ' 50' ' ' ILE . 77.2 t80 -54.77 -57.66 10.65 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.097 173.75 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 54' ' ' LEU . . . . . . . . . . . . . 94.8 mt -69.24 -11.5 60.85 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.922 -178.244 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 55' ' ' ARG . . . . . 0.484 ' HG2' ' O ' ' B' ' 51' ' ' LEU . 23.2 mmm180 -81.83 -48.29 11.76 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.992 0.425 . . . . 0.0 110.909 176.125 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 56' ' ' PHE . . . . . 0.406 ' O ' ' HG3' ' A' ' 46' ' ' MET . 77.2 m-85 -96.98 -15.34 21.15 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.055 -0.521 . . . . 0.0 112.314 -173.945 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 57' ' ' THR . . . . . . . . . . . . . 12.1 p -110.48 -3.16 16.18 Favored 'General case' 0 C--N 1.326 -0.429 0 C-N-CA 120.325 -0.55 . . . . 0.0 111.14 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -152.43 179.34 8.65 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.89 -175.686 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 59' ' ' ILE . . . . . . . . . . . . . 50.1 mm -114.48 113.8 44.79 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 CA-C-N 115.87 -0.605 . . . . 0.0 109.765 176.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 20.9 ttpt 68.05 110.06 0.03 OUTLIER Pre-proline 0 N--CA 1.464 0.265 0 O-C-N 123.864 0.727 . . . . 0.0 111.286 -179.441 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 61' ' ' PRO . . . . . . . . . . . . . 36.2 Cg_exo -60.98 147.48 95.58 Favored 'Trans proline' 0 C--O 1.234 0.294 0 C-N-CA 122.587 2.191 . . . . 0.0 111.559 174.708 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 10.5 m -61.64 141.88 57.52 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.564 -179.076 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 89.3 mt -61.36 -23.39 65.73 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-N 115.616 -0.72 . . . . 0.0 112.386 -171.792 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -62.68 -47.22 90.81 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.5 -0.857 . . . . 0.0 111.238 174.895 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -64.47 -42.24 96.03 Favored 'General case' 0 C--O 1.22 -0.482 0 N-CA-C 109.844 -0.428 . . . . 0.0 109.844 176.744 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 66' ' ' ILE . . . . . . . . . . . . . 39.4 mm -59.48 -41.75 85.65 Favored 'Isoleucine or valine' 0 C--O 1.234 0.238 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.87 179.034 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 67' ' ' ASN . . . . . . . . . . . . . 27.5 t-20 -59.71 -44.9 93.51 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.923 178.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 68' ' ' ARG . . . . . . . . . . . . . 29.7 ttm180 -77.91 -28.52 49.79 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.383 0.611 . . . . 0.0 109.622 -178.067 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 69' ' ' TRP . . . . . 0.572 ' NE1' HD11 ' A' ' 95' ' ' ILE . 31.9 t90 -60.41 -46.5 89.78 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 114.825 -1.08 . . . . 0.0 110.629 177.888 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . -71.74 -15.42 75.78 Favored Glycine 0 N--CA 1.449 -0.447 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.254 177.786 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 71' ' ' SER . . . . . . . . . . . . . 29.5 m -87.11 -15.11 39.43 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.744 0.307 . . . . 0.0 110.98 -178.646 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 72' ' ' VAL . . . . . . . . . . . . . 54.4 t -63.04 136.45 26.05 Favored 'Isoleucine or valine' 0 C--O 1.239 0.52 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.661 178.314 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 73' ' ' GLY . . . . . . . . . . . . . . . -62.72 139.96 45.57 Favored Glycine 0 N--CA 1.444 -0.788 0 N-CA-C 111.22 -0.752 . . . . 0.0 111.22 176.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 74' ' ' LYS . . . . . 0.42 ' CD ' HG21 ' A' ' 95' ' ' ILE . 41.5 mmtt -72.06 -31.8 66.47 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-O 120.956 0.408 . . . . 0.0 110.099 -171.763 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 75' ' ' LYS . . . . . . . . . . . . . 22.8 tptm -66.28 -47.68 72.87 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.694 -0.685 . . . . 0.0 109.471 174.117 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 76' ' ' GLU . . . . . 0.61 ' O ' HG13 ' B' ' 80' ' ' ILE . 5.1 tp10 -59.18 -48.2 82.51 Favored 'General case' 0 N--CA 1.449 -0.508 0 CA-C-N 114.855 -1.066 . . . . 0.0 109.76 179.739 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 77' ' ' ALA . . . . . . . . . . . . . . . -56.56 -41.76 77.44 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.844 -0.616 . . . . 0.0 111.456 -179.024 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 78' ' ' MET . . . . . 0.406 ' HG3' ' O ' ' B' ' 74' ' ' LYS . 63.4 mtt -59.47 -43.03 93.32 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.94 0.4 . . . . 0.0 110.595 178.729 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 79' ' ' GLU . . . . . 0.506 ' O ' ' HG2' ' B' ' 83' ' ' LYS . 38.3 mt-10 -70.51 -40.84 73.28 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.831 179.18 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 80' ' ' ILE . . . . . 0.61 HG13 ' O ' ' B' ' 76' ' ' GLU . 84.3 mt -60.36 -49.72 83.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.8 179.137 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 81' ' ' ILE . . . . . . . . . . . . . 42.5 mm -60.25 -37.56 74.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.59 178.806 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 82' ' ' LYS . . . . . . . . . . . . . 57.9 tttm -62.64 -46.13 89.64 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.432 178.496 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 83' ' ' LYS . . . . . 0.506 ' HG2' ' O ' ' B' ' 79' ' ' GLU . 11.6 mmpt? -66.65 -38.39 86.78 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.418 178.581 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 84' ' ' PHE . . . . . 0.409 ' O ' ' HG ' ' B' ' 88' ' ' LEU . 2.2 t80 -62.22 -49.71 74.67 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.252 -179.014 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 85' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -61.44 -34.27 75.13 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.885 178.868 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 86' ' ' LYS . . . . . . . . . . . . . 86.9 tttt -65.34 -44.29 88.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.718 178.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 87' ' ' ASP . . . . . 0.641 ' O ' ' HG3' ' B' ' 91' ' ' MET . 17.0 t70 -69.19 -35.35 76.14 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 109.973 -0.38 . . . . 0.0 109.973 -178.406 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 88' ' ' LEU . . . . . 0.409 ' HG ' ' O ' ' B' ' 84' ' ' PHE . 93.1 mt -59.94 -39.51 85.78 Favored 'General case' 0 N--CA 1.462 0.148 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.381 175.412 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -62.98 -40.65 98.36 Favored 'General case' 0 C--O 1.235 0.33 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.396 177.801 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 90' ' ' ALA . . . . . 0.502 ' O ' HG13 ' B' ' 94' ' ' ILE . . . -63.74 -45.0 91.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.481 176.773 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 91' ' ' MET . . . . . 0.641 ' HG3' ' O ' ' B' ' 87' ' ' ASP . 54.9 mtt -55.33 -50.2 70.24 Favored 'General case' 0 CA--C 1.52 -0.185 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.192 177.373 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 92' ' ' LEU . . . . . . . . . . . . . 67.0 tp -53.17 -48.16 68.24 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-N 115.292 -0.867 . . . . 0.0 111.606 -178.181 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 93' ' ' ARG . . . . . . . . . . . . . 77.1 ttt180 -62.94 -38.18 90.01 Favored 'General case' 0 N--CA 1.444 -0.751 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.75 -178.433 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 94' ' ' ILE . . . . . 0.502 HG13 ' O ' ' B' ' 90' ' ' ALA . 56.2 mt -71.41 -32.69 47.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.56 179.567 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 95' ' ' ILE . . . . . 0.573 HD11 ' NE1' ' A' ' 69' ' ' TRP . 23.2 mm -53.66 -49.55 55.91 Favored 'Isoleucine or valine' 0 C--O 1.235 0.325 0 N-CA-C 109.442 -0.577 . . . . 0.0 109.442 173.08 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 96' ' ' ASN . . . . . . . . . . . . . 62.7 t30 -66.59 -35.98 81.51 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.081 -0.963 . . . . 0.0 110.655 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 97' ' ' ALA . . . . . . . . . . . . . . . -68.14 -26.88 66.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.258 0.552 . . . . 0.0 110.44 177.889 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 98' ' ' ARG . . . . . . . . . . . . . 36.0 mmt180 . . . . . 0 C--N 1.326 -0.429 0 CA-C-N 115.601 -0.727 . . . . 0.0 111.093 177.632 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . 0.577 ' HA3' ' SD ' ' A' ' 46' ' ' MET . . . . . . . . 0 N--CA 1.446 -0.653 0 N-CA-C 112.313 -0.315 . . . . 0.0 112.313 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.576 ' O ' HG21 ' A' ' 47' ' ' VAL . 31.4 Cg_exo -61.94 168.62 8.6 Favored 'Trans proline' 0 CA--C 1.528 0.224 0 C-N-CA 123.4 2.733 . . . . 0.0 112.709 178.274 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 13.4 pt -57.35 -35.5 49.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 N-CA-C 112.126 0.417 . . . . 0.0 112.126 -175.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 44.4 mtp-105 -59.96 -45.63 92.04 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 121.307 0.575 . . . . 0.0 110.288 175.201 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' MET . . . . . 0.577 ' SD ' ' HA3' ' A' ' 42' ' ' GLY . 56.4 ttm -68.04 -31.09 70.51 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.42 -0.809 . . . . 0.0 110.362 -179.802 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.576 HG21 ' O ' ' A' ' 43' ' ' PRO . 59.1 t -58.59 -48.99 84.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.55 177.068 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 88.4 mt -69.52 -29.83 67.53 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.807 179.571 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -69.69 -48.93 57.92 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.21 178.879 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 30.3 pt -70.28 -24.94 26.38 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-O 121.106 0.479 . . . . 0.0 110.343 179.49 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 10.7 tp -66.53 -49.01 67.92 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.741 -0.663 . . . . 0.0 109.782 173.913 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -57.88 -37.75 74.52 Favored 'General case' 0 C--O 1.233 0.192 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.423 178.349 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 82.3 t80 -55.79 -63.49 1.16 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.77 -0.65 . . . . 0.0 109.881 174.313 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 95.8 mt -66.09 -5.91 11.42 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.062 0.458 . . . . 0.0 112.018 -178.198 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 28.6 tpt180 -89.95 -51.36 5.52 Favored 'General case' 0 N--CA 1.425 -1.714 0 CA-C-O 120.919 0.39 . . . . 0.0 110.441 177.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 92.4 m-85 -89.0 -24.18 22.44 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.936 -175.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 30.7 p -90.85 2.91 55.74 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 109.851 -0.426 . . . . 0.0 109.851 177.063 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . 0.408 ' O ' ' HB ' ' A' ' 59' ' ' ILE . . . 72.56 -172.34 0.15 Allowed 'General case' 0 C--O 1.231 0.089 0 CA-C-N 114.773 -1.103 . . . . 0.0 111.305 -179.225 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.408 ' HB ' ' O ' ' A' ' 58' ' ' ALA . 47.8 mm 71.84 105.21 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.464 0.238 0 O-C-N 123.728 0.642 . . . . 0.0 110.141 -172.458 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 58.1 tttp -62.2 126.73 88.35 Favored Pre-proline 0 C--N 1.326 -0.429 0 CA-C-N 115.496 -0.774 . . . . 0.0 111.259 -175.082 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 45.0 Cg_exo -56.43 138.1 82.84 Favored 'Trans proline' 0 C--N 1.345 0.367 0 C-N-CA 122.919 2.412 . . . . 0.0 111.826 176.58 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 16.4 m -69.27 165.13 21.24 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.101 -179.144 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -61.07 -28.82 69.35 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.712 -0.222 . . . . 0.0 111.302 -176.101 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -60.14 -43.18 98.6 Favored Glycine 0 N--CA 1.453 -0.212 0 C-N-CA 120.576 -0.821 . . . . 0.0 111.448 176.034 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -64.15 -47.65 79.07 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 109.682 -0.488 . . . . 0.0 109.682 177.511 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 50.4 mm -62.63 -36.58 75.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 115.475 -0.784 . . . . 0.0 111.274 -177.58 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 10.1 t30 -64.68 -43.61 93.01 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.88 178.621 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 51.0 ttp180 -76.59 -30.4 56.97 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.527 0.68 . . . . 0.0 109.683 -178.49 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' TRP . . . . . 0.459 ' CZ3' ' HD2' ' B' ' 98' ' ' ARG . 39.0 t90 -57.96 -49.56 76.38 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 114.822 -1.081 . . . . 0.0 110.638 175.104 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -74.77 1.07 55.17 Favored Glycine 0 CA--C 1.521 0.454 0 C-N-CA 120.889 -0.672 . . . . 0.0 112.853 177.812 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 58.2 m -94.35 -13.52 26.3 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.775 0.322 . . . . 0.0 110.73 178.838 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 47.8 t -68.32 136.32 26.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 0.0 109.803 176.819 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -62.71 139.74 45.41 Favored Glycine 0 N--CA 1.443 -0.856 0 C-N-CA 120.782 -0.723 . . . . 0.0 111.414 178.109 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . 0.517 ' O ' ' HG3' ' A' ' 78' ' ' MET . 25.5 mmtp -65.13 -39.93 93.73 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 109.388 -0.597 . . . . 0.0 109.388 -175.058 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 22.6 tptm -62.71 -47.33 84.07 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.234 -0.894 . . . . 0.0 110.248 176.144 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . 0.475 ' O ' HG13 ' A' ' 80' ' ' ILE . 9.5 tp10 -64.7 -41.33 96.09 Favored 'General case' 0 N--CA 1.45 -0.471 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.296 -178.381 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -57.15 -41.22 78.75 Favored 'General case' 0 N--CA 1.454 -0.232 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.525 178.394 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' MET . . . . . 0.517 ' HG3' ' O ' ' A' ' 74' ' ' LYS . 66.3 mtt -60.91 -43.39 98.61 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.388 178.071 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -69.66 -39.66 76.92 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.927 -0.579 . . . . 0.0 111.254 -179.432 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . 0.475 HG13 ' O ' ' A' ' 76' ' ' GLU . 88.7 mt -65.43 -50.42 72.71 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.68 178.699 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 43.5 mm -61.75 -34.31 61.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.512 179.362 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 24.0 tptm -60.32 -49.5 77.37 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.486 177.033 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 57.3 mttp -71.55 -28.72 64.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.532 179.877 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . 0.512 ' O ' ' HG ' ' A' ' 88' ' ' LEU . 2.0 t80 -62.38 -53.8 49.63 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.914 -0.585 . . . . 0.0 109.436 177.47 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -62.27 -35.11 77.97 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.844 -0.617 . . . . 0.0 110.779 178.131 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 6.7 tmtm? -62.71 -49.47 74.96 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.223 -179.591 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -69.64 -32.26 70.85 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.27 -178.009 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.512 ' HG ' ' O ' ' A' ' 84' ' ' PHE . 86.8 mt -63.0 -42.17 99.78 Favored 'General case' 0 N--CA 1.463 0.188 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.63 174.744 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -60.76 -44.54 96.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.459 179.071 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . 0.651 ' O ' HG13 ' A' ' 94' ' ' ILE . . . -61.89 -46.42 89.47 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.39 176.487 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 60.9 tpp -59.51 -40.76 88.13 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.695 -179.829 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 58.0 tp -58.77 -43.62 90.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.789 177.877 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 80.0 mtp180 -66.14 -29.44 69.74 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.098 179.86 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . 0.651 HG13 ' O ' ' A' ' 90' ' ' ALA . 12.7 mt -74.04 -34.96 40.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 C-N-CA 120.818 -0.353 . . . . 0.0 110.555 178.666 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . 0.44 HD12 ' CD1' ' B' ' 69' ' ' TRP . 20.3 mm -55.54 -49.26 74.81 Favored 'Isoleucine or valine' 0 C--O 1.232 0.179 0 N-CA-C 109.16 -0.682 . . . . 0.0 109.16 173.08 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' ASN . . . . . 0.487 ' OD1' ' HB3' ' B' ' 74' ' ' LYS . 86.9 m-20 -59.42 -45.79 90.56 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.019 175.355 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -65.49 -6.5 10.78 Favored 'General case' 0 CA--C 1.53 0.204 0 CA-C-N 115.639 -0.71 . . . . 0.0 112.822 -175.262 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . 0.467 ' HD2' ' CZ3' ' B' ' 69' ' ' TRP . 5.6 mmp_? . . . . . 0 C--N 1.331 -0.201 0 CA-C-O 121.311 0.576 . . . . 0.0 109.712 172.397 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 42' ' ' GLY . . . . . 0.572 ' HA3' ' SD ' ' B' ' 46' ' ' MET . . . . . . . . 0 N--CA 1.446 -0.645 0 N-CA-C 112.329 -0.308 . . . . 0.0 112.329 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 43' ' ' PRO . . . . . 0.563 ' O ' HG21 ' B' ' 47' ' ' VAL . 31.3 Cg_exo -62.24 168.85 8.71 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 123.386 2.724 . . . . 0.0 112.741 178.059 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 13.2 pt -57.48 -35.47 49.89 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.412 0 N-CA-C 112.12 0.415 . . . . 0.0 112.12 -175.756 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 44.9 mtp180 -60.06 -45.53 92.57 Favored 'General case' 0 N--CA 1.462 0.157 0 CA-C-O 121.235 0.54 . . . . 0.0 110.288 175.301 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 46' ' ' MET . . . . . 0.572 ' SD ' ' HA3' ' B' ' 42' ' ' GLY . 55.9 ttm -68.02 -31.15 70.63 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.496 -0.775 . . . . 0.0 110.411 -179.903 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 47' ' ' VAL . . . . . 0.563 HG21 ' O ' ' B' ' 43' ' ' PRO . 58.0 t -58.42 -49.15 83.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.568 176.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 87.9 mt -69.42 -30.0 67.85 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.724 179.665 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -69.57 -48.95 58.53 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.235 178.875 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 50' ' ' ILE . . . . . . . . . . . . . 30.3 pt -70.3 -24.8 26.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.902 0.382 . . . . 0.0 110.293 179.464 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 10.6 tp -66.65 -49.04 67.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.874 -0.603 . . . . 0.0 109.711 173.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -57.83 -37.67 74.24 Favored 'General case' 0 C--O 1.233 0.213 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.427 178.34 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 53' ' ' PHE . . . . . . . . . . . . . 82.4 t80 -55.94 -63.31 1.22 Allowed 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.797 -0.638 . . . . 0.0 109.909 174.327 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 54' ' ' LEU . . . . . . . . . . . . . 95.8 mt -66.17 -5.84 11.47 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-O 121.039 0.447 . . . . 0.0 112.1 -178.272 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 55' ' ' ARG . . . . . . . . . . . . . 28.6 tpt180 -89.91 -51.46 5.47 Favored 'General case' 0 N--CA 1.425 -1.711 0 CA-C-O 120.949 0.404 . . . . 0.0 110.481 177.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 56' ' ' PHE . . . . . 0.403 ' CZ ' ' HA ' ' A' ' 84' ' ' PHE . 92.3 m-85 -88.95 -24.1 22.51 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.112 -0.494 . . . . 0.0 112.059 -175.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 57' ' ' THR . . . . . . . . . . . . . 31.0 p -90.81 2.56 55.98 Favored 'General case' 0 C--O 1.236 0.366 0 CA-C-O 121.053 0.454 . . . . 0.0 109.913 176.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 58' ' ' ALA . . . . . 0.415 ' O ' ' HB ' ' B' ' 59' ' ' ILE . . . 72.73 -172.46 0.14 Allowed 'General case' 0 N--CA 1.462 0.127 0 CA-C-N 114.737 -1.12 . . . . 0.0 111.173 -179.154 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 59' ' ' ILE . . . . . 0.415 ' HB ' ' O ' ' B' ' 58' ' ' ALA . 47.5 mm 72.03 105.39 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.462 0.173 0 O-C-N 123.723 0.64 . . . . 0.0 110.169 -172.459 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 58.4 tttp -62.38 126.91 89.02 Favored Pre-proline 0 C--N 1.327 -0.405 0 CA-C-N 115.438 -0.801 . . . . 0.0 111.094 -174.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 61' ' ' PRO . . . . . . . . . . . . . 45.1 Cg_exo -56.44 138.49 84.31 Favored 'Trans proline' 0 C--N 1.345 0.392 0 C-N-CA 122.892 2.395 . . . . 0.0 111.878 176.362 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 16.0 m -69.65 164.9 22.36 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.056 -179.111 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -60.68 -29.11 69.1 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.702 -0.226 . . . . 0.0 111.241 -176.348 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -60.34 -42.64 98.93 Favored Glycine 0 C--O 1.237 0.289 0 C-N-CA 120.542 -0.837 . . . . 0.0 111.558 176.372 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -64.43 -47.7 78.12 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 109.737 -0.468 . . . . 0.0 109.737 177.187 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 66' ' ' ILE . . . . . . . . . . . . . 50.3 mm -62.71 -36.56 75.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 115.462 -0.79 . . . . 0.0 111.334 -177.567 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 67' ' ' ASN . . . . . . . . . . . . . 10.2 t30 -64.63 -43.52 93.43 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.797 178.436 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 68' ' ' ARG . . . . . . . . . . . . . 51.0 ttp180 -76.55 -30.5 57.11 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.508 0.67 . . . . 0.0 109.767 -178.53 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 69' ' ' TRP . . . . . 0.467 ' CZ3' ' HD2' ' A' ' 98' ' ' ARG . 39.3 t90 -57.86 -49.36 76.95 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 114.772 -1.104 . . . . 0.0 110.738 175.112 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . -75.13 1.56 55.28 Favored Glycine 0 CA--C 1.521 0.439 0 C-N-CA 120.943 -0.646 . . . . 0.0 112.829 177.684 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 71' ' ' SER . . . . . . . . . . . . . 55.8 m -94.61 -13.74 25.63 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 122.62 -0.341 . . . . 0.0 110.657 178.724 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 72' ' ' VAL . . . . . . . . . . . . . 47.3 t -68.06 136.43 26.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.227 -0.442 . . . . 0.0 109.851 176.835 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 73' ' ' GLY . . . . . . . . . . . . . . . -62.98 139.84 45.1 Favored Glycine 0 N--CA 1.446 -0.69 0 C-N-CA 120.691 -0.766 . . . . 0.0 111.32 178.087 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 74' ' ' LYS . . . . . 0.534 ' O ' ' HG3' ' B' ' 78' ' ' MET . 25.4 mmtp -65.28 -39.6 92.8 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 109.418 -0.586 . . . . 0.0 109.418 -175.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 75' ' ' LYS . . . . . . . . . . . . . 22.6 tptm -62.77 -47.07 85.13 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.251 -0.886 . . . . 0.0 110.239 176.022 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 76' ' ' GLU . . . . . 0.489 ' O ' HG13 ' B' ' 80' ' ' ILE . 9.9 tp10 -65.23 -41.32 94.51 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.163 -178.238 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 77' ' ' ALA . . . . . . . . . . . . . . . -57.08 -41.2 78.41 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.483 -0.326 . . . . 0.0 110.465 178.374 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 78' ' ' MET . . . . . 0.534 ' HG3' ' O ' ' B' ' 74' ' ' LYS . 66.3 mtt -60.84 -43.21 98.6 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.553 178.003 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 79' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -69.92 -39.52 76.09 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.892 -0.595 . . . . 0.0 111.256 -179.525 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 80' ' ' ILE . . . . . 0.489 HG13 ' O ' ' B' ' 76' ' ' GLU . 88.8 mt -65.44 -50.32 73.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.694 178.811 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 81' ' ' ILE . . . . . . . . . . . . . 44.3 mm -61.71 -34.32 61.65 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.609 179.212 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 82' ' ' LYS . . . . . . . . . . . . . 24.0 tptm -60.37 -49.46 77.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.381 177.13 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 83' ' ' LYS . . . . . . . . . . . . . 57.5 mttp -71.76 -28.51 63.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.506 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 84' ' ' PHE . . . . . 0.535 ' O ' ' HG ' ' B' ' 88' ' ' LEU . 2.0 t80 -62.55 -53.9 47.75 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.874 -0.603 . . . . 0.0 109.449 177.444 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 85' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -62.01 -35.09 77.53 Favored 'General case' 0 C--O 1.233 0.19 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.754 178.039 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 86' ' ' LYS . . . . . . . . . . . . . 6.7 tmtm? -62.77 -49.54 74.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.268 -179.5 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 87' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -69.38 -32.54 71.64 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.18 -178.112 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 88' ' ' LEU . . . . . 0.535 ' HG ' ' O ' ' B' ' 84' ' ' PHE . 87.1 mt -62.89 -42.16 99.67 Favored 'General case' 0 N--CA 1.463 0.194 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.631 174.949 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -60.7 -44.6 96.36 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.412 179.118 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 90' ' ' ALA . . . . . 0.651 ' O ' HG13 ' B' ' 94' ' ' ILE . . . -61.93 -46.13 90.69 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.387 176.623 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 91' ' ' MET . . . . . . . . . . . . . 61.0 tpp -59.88 -40.82 89.99 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.622 -179.767 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 92' ' ' LEU . . . . . . . . . . . . . 58.1 tp -58.71 -43.61 90.14 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.769 -0.651 . . . . 0.0 110.794 177.798 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 93' ' ' ARG . . . . . . . . . . . . . 80.0 mtp180 -65.88 -29.92 70.44 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.007 179.792 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 94' ' ' ILE . . . . . 0.651 HG13 ' O ' ' B' ' 90' ' ' ALA . 12.9 mt -73.63 -34.85 42.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 C-N-CA 120.791 -0.364 . . . . 0.0 110.582 179.056 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 95' ' ' ILE . . . . . 0.428 HD12 ' CD1' ' A' ' 69' ' ' TRP . 20.3 mm -55.86 -49.07 77.16 Favored 'Isoleucine or valine' 0 C--O 1.232 0.171 0 N-CA-C 109.178 -0.675 . . . . 0.0 109.178 173.151 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 96' ' ' ASN . . . . . 0.5 ' OD1' ' HB3' ' A' ' 74' ' ' LYS . 86.8 m-20 -59.47 -45.78 90.66 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.034 175.272 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 97' ' ' ALA . . . . . . . . . . . . . . . -65.69 -6.22 10.83 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.57 -0.741 . . . . 0.0 112.758 -175.321 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 98' ' ' ARG . . . . . 0.459 ' HD2' ' CZ3' ' A' ' 69' ' ' TRP . 5.6 mmp_? . . . . . 0 C--N 1.331 -0.227 0 CA-C-O 121.24 0.543 . . . . 0.0 109.736 172.301 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.445 -0.731 0 N-CA-C 111.607 -0.597 . . . . 0.0 111.607 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.548 ' HD2' ' SD ' ' A' ' 46' ' ' MET . 50.1 Cg_endo -68.58 176.69 5.52 Favored 'Trans proline' 0 N--CA 1.464 -0.215 0 C-N-CA 122.592 2.195 . . . . 0.0 111.746 176.638 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 19.3 pt -47.71 -44.67 10.61 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.528 0 N-CA-C 113.772 1.027 . . . . 0.0 113.772 -171.461 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -67.23 -41.99 84.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.048 0.452 . . . . 0.0 110.804 -178.722 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' MET . . . . . 0.58 ' O ' HG13 ' A' ' 50' ' ' ILE . 56.3 mtt -68.02 -27.33 66.45 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.788 176.59 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.512 HG23 ' O ' ' A' ' 43' ' ' PRO . 90.3 t -59.38 -49.73 82.45 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.177 0 N-CA-C 110.148 -0.316 . . . . 0.0 110.148 175.859 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 11.2 mp -64.04 -32.5 74.07 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.035 177.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -67.79 -48.97 64.82 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.133 176.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.58 HG13 ' O ' ' A' ' 46' ' ' MET . 57.0 mt -65.9 -31.53 54.11 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-O 121.309 0.576 . . . . 0.0 109.83 177.792 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 15.8 tp -59.25 -53.8 54.17 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.474 -0.784 . . . . 0.0 110.255 175.019 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.55 -38.05 80.06 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-O 121.008 0.432 . . . . 0.0 110.577 178.733 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . 0.4 ' HB3' ' O ' ' A' ' 50' ' ' ILE . 87.2 t80 -55.39 -60.7 3.04 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.53 -0.759 . . . . 0.0 109.412 174.58 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.428 HD13 ' H ' ' A' ' 62' ' ' SER . 64.4 mt -72.41 -0.43 12.48 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.777 -178.579 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 20.6 tpt180 -90.33 -35.28 15.33 Favored 'General case' 0 N--CA 1.427 -1.581 0 CA-C-O 121.044 0.45 . . . . 0.0 110.118 177.154 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 57.9 m-85 -110.79 -22.9 11.33 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 112.439 0.533 . . . . 0.0 112.439 -176.572 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' THR . . . . . 0.488 ' HA ' ' HG2' ' B' ' 46' ' ' MET . 35.0 p -96.27 -5.88 39.21 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.376 0.608 . . . . 0.0 110.707 -179.817 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -140.97 167.75 21.43 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.514 -0.766 . . . . 0.0 110.442 -174.738 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.446 ' N ' HD12 ' A' ' 59' ' ' ILE . 4.2 mp -90.67 -25.38 5.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-O 121.932 0.873 . . . . 0.0 110.201 -176.48 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -148.26 124.06 5.24 Favored Pre-proline 0 C--N 1.306 -1.317 0 CA-C-N 114.509 -1.223 . . . . 0.0 110.55 -179.719 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 30.2 Cg_exo -62.22 139.66 79.05 Favored 'Trans proline' 0 C--O 1.233 0.249 0 C-N-CA 122.674 2.249 . . . . 0.0 111.921 175.623 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' SER . . . . . 0.428 ' H ' HD13 ' A' ' 54' ' ' LEU . 46.7 t -61.79 137.68 58.27 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.966 -179.102 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 95.1 mt -65.62 -20.73 66.42 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.456 -0.793 . . . . 0.0 111.596 -175.51 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -63.09 -45.33 95.7 Favored Glycine 0 N--CA 1.449 -0.462 0 C-N-CA 120.422 -0.894 . . . . 0.0 111.116 174.432 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.523 ' O ' ' HB2' ' A' ' 69' ' ' TRP . 4.0 mm? -70.75 -30.03 66.44 Favored 'General case' 0 C--O 1.22 -0.465 0 N-CA-C 110.129 -0.322 . . . . 0.0 110.129 177.297 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 47.3 mm -70.19 -30.95 45.59 Favored 'Isoleucine or valine' 0 C--O 1.235 0.342 0 CA-C-O 121.249 0.547 . . . . 0.0 110.542 177.561 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 44.5 t30 -70.76 -43.06 69.58 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.4 177.456 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 39.2 ttm180 -86.44 -7.08 58.71 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.697 0.761 . . . . 0.0 109.917 -178.328 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' TRP . . . . . 0.568 ' NE1' HD13 ' B' ' 95' ' ' ILE . 7.2 t90 -59.8 -44.56 93.92 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 114.601 -1.182 . . . . 0.0 110.048 177.279 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -80.7 -10.83 84.69 Favored Glycine 0 N--CA 1.449 -0.492 0 CA-C-N 115.575 -0.738 . . . . 0.0 112.315 178.419 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 47.7 t -69.49 -16.96 63.56 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.101 0.477 . . . . 0.0 109.995 178.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.455 ' C ' ' H ' ' A' ' 74' ' ' LYS . 12.1 t -74.54 135.23 27.84 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.538 0 N-CA-C 108.923 -0.769 . . . . 0.0 108.923 174.231 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . 0.564 ' O ' ' HG2' ' A' ' 74' ' ' LYS . . . -72.43 19.27 1.13 Allowed Glycine 0 CA--C 1.524 0.598 0 C-N-CA 121.321 -0.466 . . . . 0.0 114.234 -173.493 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . 0.564 ' HG2' ' O ' ' A' ' 73' ' ' GLY . 9.4 ptpp? 61.29 -44.28 0.13 Allowed 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 125.734 1.614 . . . . 0.0 113.81 178.548 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 21.3 tptm -67.75 -42.89 81.07 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 118.669 0.668 . . . . 0.0 109.483 175.537 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . 0.584 ' O ' HG13 ' A' ' 80' ' ' ILE . 20.5 tp10 -59.1 -40.08 84.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.711 -0.677 . . . . 0.0 109.522 174.234 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . 0.516 ' O ' HG12 ' A' ' 81' ' ' ILE . . . -60.85 -39.98 91.16 Favored 'General case' 0 N--CA 1.454 -0.241 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.636 179.762 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' MET . . . . . 0.509 ' HG3' ' O ' ' A' ' 74' ' ' LYS . 90.6 mtp -59.62 -42.24 92.22 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-O 121.023 0.439 . . . . 0.0 110.096 177.932 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 24.7 mt-10 -67.72 -43.15 80.69 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.749 177.843 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . 0.584 HG13 ' O ' ' A' ' 76' ' ' GLU . 78.2 mt -59.42 -46.52 92.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.682 178.257 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . 0.516 HG12 ' O ' ' A' ' 77' ' ' ALA . 41.3 mm -62.29 -40.14 86.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.107 -179.87 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 8.2 ttpm? -64.05 -41.77 97.26 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-O 121.051 0.453 . . . . 0.0 110.102 177.672 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 27.3 mtpp -62.11 -46.8 87.43 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.515 175.25 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . 0.483 ' O ' ' HG ' ' A' ' 88' ' ' LEU . 0.8 OUTLIER -56.55 -51.46 68.49 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.216 -0.902 . . . . 0.0 110.8 -178.611 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -61.59 -36.65 81.3 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.244 -179.109 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . 0.421 ' NZ ' ' HB3' ' A' ' 86' ' ' LYS . 5.1 ttpm? -63.31 -48.38 78.3 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.338 179.025 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -64.26 -37.82 88.84 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.568 -179.805 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.483 ' HG ' ' O ' ' A' ' 84' ' ' PHE . 91.1 mt -60.46 -45.58 93.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.394 176.356 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . 0.401 ' O ' ' HG3' ' A' ' 93' ' ' ARG . . . -62.12 -43.91 97.8 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.864 179.199 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . 0.498 ' O ' HG13 ' A' ' 94' ' ' ILE . . . -63.76 -47.23 81.82 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.176 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 72.7 mtm -66.59 -33.79 76.46 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.011 -178.451 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.448 ' HB2' HG13 ' B' ' 81' ' ' ILE . 55.4 tp -60.73 -45.73 93.14 Favored 'General case' 0 C--O 1.238 0.479 0 CA-C-O 121.505 0.669 . . . . 0.0 110.411 174.882 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . 0.401 ' HG3' ' O ' ' A' ' 89' ' ' ALA . 98.2 mtt180 -61.4 -32.22 72.15 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.358 -0.837 . . . . 0.0 110.61 179.101 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . 0.498 HG13 ' O ' ' A' ' 90' ' ' ALA . 64.5 mt -68.73 -36.24 73.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.516 -0.311 . . . . 0.0 110.966 177.463 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . 0.586 HD13 ' NE1' ' B' ' 69' ' ' TRP . 19.1 mm -56.37 -48.54 79.7 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.266 0 CA-C-O 121.62 0.724 . . . . 0.0 109.654 175.617 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 9.8 t30 -76.29 -21.31 56.42 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.307 -0.861 . . . . 0.0 111.132 -178.698 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -70.92 -41.85 70.67 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 120.938 0.399 . . . . 0.0 111.015 179.193 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . 0.413 ' HG2' ' O ' ' A' ' 94' ' ' ILE . 13.6 ptm180 . . . . . 0 C--N 1.325 -0.491 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.575 -173.024 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 42' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.445 -0.763 0 N-CA-C 111.612 -0.595 . . . . 0.0 111.612 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' B' B ' 43' ' ' PRO . . . . . 0.546 ' HD2' ' SD ' ' B' ' 46' ' ' MET . 48.5 Cg_endo -68.12 176.77 5.06 Favored 'Trans proline' 0 CA--C 1.529 0.258 0 C-N-CA 122.584 2.189 . . . . 0.0 111.663 177.131 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 19.6 pt -47.68 -44.67 10.48 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.51 0 N-CA-C 113.908 1.077 . . . . 0.0 113.908 -171.559 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -67.21 -42.1 84.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.083 0.468 . . . . 0.0 110.854 -178.825 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 46' ' ' MET . . . . . 0.57 ' O ' HG13 ' B' ' 50' ' ' ILE . 56.6 mtt -67.92 -27.21 66.43 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.847 176.484 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 47' ' ' VAL . . . . . 0.513 HG23 ' O ' ' B' ' 43' ' ' PRO . 89.5 t -59.57 -49.59 83.12 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.191 0 N-CA-C 110.189 -0.3 . . . . 0.0 110.189 175.83 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 11.2 mp -64.16 -32.35 73.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.085 177.908 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -67.87 -49.04 64.32 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.8 0.333 . . . . 0.0 111.124 176.854 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 50' ' ' ILE . . . . . 0.57 HG13 ' O ' ' B' ' 46' ' ' MET . 57.1 mt -65.88 -31.45 53.79 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-O 121.254 0.549 . . . . 0.0 109.815 177.778 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 15.8 tp -59.26 -53.68 55.46 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.481 -0.781 . . . . 0.0 110.286 174.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.69 -38.02 80.4 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-O 121.046 0.451 . . . . 0.0 110.591 178.705 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 53' ' ' PHE . . . . . . . . . . . . . 86.5 t80 -55.34 -60.85 2.84 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.521 -0.763 . . . . 0.0 109.43 174.514 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 54' ' ' LEU . . . . . 0.429 HD13 ' H ' ' B' ' 62' ' ' SER . 64.5 mt -72.37 -0.33 12.12 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.823 -178.613 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 55' ' ' ARG . . . . . . . . . . . . . 20.7 tpt180 -90.33 -35.55 15.17 Favored 'General case' 0 N--CA 1.426 -1.632 0 CA-C-O 121.121 0.486 . . . . 0.0 110.085 177.013 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 56' ' ' PHE . . . . . . . . . . . . . 57.9 m-85 -110.38 -23.11 11.36 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 112.402 0.519 . . . . 0.0 112.402 -176.554 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 57' ' ' THR . . . . . 0.494 ' HA ' ' HG2' ' A' ' 46' ' ' MET . 34.6 p -96.19 -5.84 39.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.35 0.595 . . . . 0.0 110.679 -179.746 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -141.02 167.35 22.41 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.617 -0.72 . . . . 0.0 110.43 -174.727 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 59' ' ' ILE . . . . . 0.441 HD12 ' N ' ' B' ' 59' ' ' ILE . 4.2 mp -90.39 -25.47 5.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-O 121.781 0.801 . . . . 0.0 110.153 -176.465 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -148.26 124.05 5.23 Favored Pre-proline 0 C--N 1.306 -1.3 0 CA-C-N 114.63 -1.168 . . . . 0.0 110.54 -179.765 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 61' ' ' PRO . . . . . . . . . . . . . 29.7 Cg_exo -62.53 139.38 75.82 Favored 'Trans proline' 0 C--O 1.236 0.395 0 C-N-CA 122.685 2.257 . . . . 0.0 111.799 175.749 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 62' ' ' SER . . . . . 0.429 ' H ' HD13 ' B' ' 54' ' ' LEU . 48.2 t -61.48 138.06 58.26 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.662 -0.699 . . . . 0.0 111.024 -179.024 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 95.7 mt -66.26 -20.13 66.02 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 115.526 -0.761 . . . . 0.0 111.505 -175.232 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -63.6 -45.22 95.14 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.414 -0.898 . . . . 0.0 111.119 174.311 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 65' ' ' LEU . . . . . 0.526 ' O ' ' HB2' ' B' ' 69' ' ' TRP . 4.0 mm? -70.64 -30.15 66.7 Favored 'General case' 0 C--O 1.22 -0.45 0 N-CA-C 110.149 -0.315 . . . . 0.0 110.149 177.166 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 66' ' ' ILE . . . . . . . . . . . . . 47.3 mm -69.82 -31.24 47.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 121.309 0.576 . . . . 0.0 110.57 177.559 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 67' ' ' ASN . . . . . . . . . . . . . 43.4 t30 -70.5 -43.42 69.72 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.281 177.738 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 68' ' ' ARG . . . . . . . . . . . . . 39.3 ttm180 -86.21 -7.1 58.79 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.651 0.739 . . . . 0.0 109.961 -178.233 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 69' ' ' TRP . . . . . 0.586 ' NE1' HD13 ' A' ' 95' ' ' ILE . 7.2 t90 -59.79 -44.62 93.86 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 114.657 -1.156 . . . . 0.0 110.065 177.233 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . -80.62 -10.85 84.72 Favored Glycine 0 N--CA 1.448 -0.501 0 CA-C-N 115.613 -0.721 . . . . 0.0 112.258 178.419 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 71' ' ' SER . . . . . . . . . . . . . 48.0 t -69.53 -17.18 63.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.113 0.482 . . . . 0.0 109.868 179.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 72' ' ' VAL . . . . . 0.427 ' C ' ' H ' ' B' ' 74' ' ' LYS . 12.1 t -74.23 135.62 27.05 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.593 0 N-CA-C 108.926 -0.768 . . . . 0.0 108.926 174.27 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 73' ' ' GLY . . . . . 0.56 ' O ' ' HG2' ' B' ' 74' ' ' LYS . . . -72.86 19.49 1.21 Allowed Glycine 0 CA--C 1.523 0.55 0 CA-C-O 119.643 -0.532 . . . . 0.0 114.135 -173.411 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 74' ' ' LYS . . . . . 0.56 ' HG2' ' O ' ' B' ' 73' ' ' GLY . 9.4 ptpp? 61.24 -44.46 0.13 Allowed 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 125.74 1.616 . . . . 0.0 113.8 178.46 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 75' ' ' LYS . . . . . . . . . . . . . 21.4 tptm -67.7 -42.85 81.38 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 118.612 0.642 . . . . 0.0 109.51 175.56 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 76' ' ' GLU . . . . . 0.567 ' O ' HG13 ' B' ' 80' ' ' ILE . 20.9 tp10 -59.18 -40.06 84.48 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.629 -0.714 . . . . 0.0 109.609 174.211 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 77' ' ' ALA . . . . . 0.514 ' O ' HG12 ' B' ' 81' ' ' ILE . . . -60.76 -40.03 90.99 Favored 'General case' 0 N--CA 1.454 -0.226 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.668 179.693 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 78' ' ' MET . . . . . 0.515 ' HG3' ' O ' ' B' ' 74' ' ' LYS . 90.4 mtp -59.57 -42.18 91.87 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-O 121.102 0.477 . . . . 0.0 110.08 178.065 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 79' ' ' GLU . . . . . . . . . . . . . 23.9 mt-10 -67.55 -43.76 79.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.639 -0.71 . . . . 0.0 110.744 177.839 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 80' ' ' ILE . . . . . 0.567 HG13 ' O ' ' B' ' 76' ' ' GLU . 78.6 mt -59.08 -46.55 91.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.679 178.286 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 81' ' ' ILE . . . . . 0.514 HG12 ' O ' ' B' ' 77' ' ' ALA . 41.6 mm -62.19 -40.09 86.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.113 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 82' ' ' LYS . . . . . . . . . . . . . 8.2 ttpm? -64.13 -41.87 97.04 Favored 'General case' 0 C--O 1.235 0.333 0 CA-C-O 120.981 0.42 . . . . 0.0 110.021 177.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 83' ' ' LYS . . . . . . . . . . . . . 27.3 mtpp -61.98 -46.93 87.09 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.556 175.187 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 84' ' ' PHE . . . . . 0.489 ' O ' ' HG ' ' B' ' 88' ' ' LEU . 0.8 OUTLIER -56.5 -51.41 68.62 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.252 -0.886 . . . . 0.0 110.807 -178.663 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' B' B ' 85' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -61.61 -36.72 81.54 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.223 -179.117 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 86' ' ' LYS . . . . . 0.429 ' NZ ' ' HB3' ' B' ' 86' ' ' LYS . 5.1 ttpm? -63.2 -48.63 77.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.051 0.453 . . . . 0.0 110.385 178.872 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 87' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -63.99 -38.0 89.46 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.705 -0.68 . . . . 0.0 110.577 -179.871 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 88' ' ' LEU . . . . . 0.489 ' HG ' ' O ' ' B' ' 84' ' ' PHE . 91.2 mt -60.47 -45.35 94.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.487 176.389 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 89' ' ' ALA . . . . . 0.403 ' O ' ' HG3' ' B' ' 93' ' ' ARG . . . -62.13 -44.09 97.39 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.868 179.212 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 90' ' ' ALA . . . . . 0.494 ' O ' HG13 ' B' ' 94' ' ' ILE . . . -63.87 -47.17 81.72 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.15 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 91' ' ' MET . . . . . . . . . . . . . 72.8 mtm -66.41 -33.88 76.7 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.12 -178.627 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 92' ' ' LEU . . . . . 0.456 ' HB2' HG13 ' A' ' 81' ' ' ILE . 55.6 tp -60.67 -45.76 92.92 Favored 'General case' 0 C--O 1.238 0.474 0 CA-C-O 121.464 0.65 . . . . 0.0 110.444 174.807 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 93' ' ' ARG . . . . . 0.403 ' HG3' ' O ' ' B' ' 89' ' ' ALA . 98.1 mtt180 -61.34 -32.28 72.17 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.398 -0.819 . . . . 0.0 110.503 179.147 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 94' ' ' ILE . . . . . 0.494 HG13 ' O ' ' B' ' 90' ' ' ALA . 64.2 mt -68.71 -36.33 73.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.595 -0.275 . . . . 0.0 110.921 177.515 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 95' ' ' ILE . . . . . 0.568 HD13 ' NE1' ' A' ' 69' ' ' TRP . 19.0 mm -56.43 -48.55 79.84 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.268 0 CA-C-O 121.549 0.69 . . . . 0.0 109.588 175.648 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 96' ' ' ASN . . . . . . . . . . . . . 9.9 t30 -76.36 -21.18 56.42 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.41 -0.814 . . . . 0.0 111.129 -178.673 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 97' ' ' ALA . . . . . . . . . . . . . . . -70.9 -41.84 70.73 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.098 0.475 . . . . 0.0 111.109 179.063 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 98' ' ' ARG . . . . . 0.407 ' HG2' ' O ' ' B' ' 94' ' ' ILE . 13.6 ptm180 . . . . . 0 C--N 1.325 -0.471 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.604 -173.021 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . 0.413 ' H ' ' HD2' ' A' ' 43' ' ' PRO . . . . . . . . 0 CA--C 1.523 0.592 0 CA-C-O 119.103 -0.832 . . . . 0.0 113.692 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.413 ' HD2' ' H ' ' A' ' 42' ' ' GLY . 95.2 Cg_exo -47.79 157.18 1.06 Allowed 'Trans proline' 0 C--N 1.356 0.948 0 C-N-CA 122.709 2.273 . . . . 0.0 113.014 174.056 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.446 HD11 ' OE1' ' A' ' 76' ' ' GLU . 44.5 pt -54.53 -29.43 20.38 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.441 0 CA-C-N 115.184 -0.917 . . . . 0.0 113.075 -168.037 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 59.8 mtp180 -59.44 -48.56 81.17 Favored 'General case' 0 C--O 1.236 0.367 0 CA-C-O 121.436 0.636 . . . . 0.0 110.116 176.285 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' MET . . . . . 0.617 ' O ' HG13 ' A' ' 50' ' ' ILE . 2.1 mpt? -69.83 -31.15 68.87 Favored 'General case' 0 C--O 1.217 -0.607 0 CA-C-N 115.374 -0.83 . . . . 0.0 110.414 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 62.6 t -59.42 -46.03 93.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-O 120.691 0.282 . . . . 0.0 110.74 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 11.1 mp -68.05 -36.28 79.62 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.769 178.253 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -65.97 -47.36 74.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.181 177.482 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.617 HG13 ' O ' ' A' ' 46' ' ' MET . 61.8 mt -66.34 -33.19 61.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 109.913 178.854 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.632 ' O ' ' HG2' ' A' ' 55' ' ' ARG . 10.3 tp -57.6 -55.98 27.79 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.906 -0.588 . . . . 0.0 109.79 174.852 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -55.74 -42.49 75.46 Favored 'General case' 0 C--O 1.232 0.178 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.468 178.865 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 73.0 t80 -53.2 -56.29 17.57 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.128 174.074 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 95.6 mt -73.14 -3.12 24.52 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 112.443 0.534 . . . . 0.0 112.443 -176.768 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.632 ' HG2' ' O ' ' A' ' 51' ' ' LEU . 37.2 mmt180 -96.02 -35.99 11.19 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.697 0.284 . . . . 0.0 110.991 175.387 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . 0.4 ' CZ ' ' HA ' ' B' ' 84' ' ' PHE . 86.4 m-85 -104.36 -13.73 16.01 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 111.968 0.359 . . . . 0.0 111.968 -175.799 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 16.7 p -109.61 -6.02 15.49 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.163 0.506 . . . . 0.0 109.997 175.773 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -147.55 -176.88 5.42 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.559 -0.746 . . . . 0.0 109.471 -178.153 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 46.9 mm -118.86 -21.62 4.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-O 121.762 0.791 . . . . 0.0 110.756 179.475 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 54.0 tptt -136.81 108.7 9.15 Favored Pre-proline 0 C--N 1.305 -1.33 0 CA-C-N 115.265 -0.879 . . . . 0.0 110.803 -178.443 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 16.8 Cg_exo -68.39 148.48 73.67 Favored 'Trans proline' 0 N--CA 1.462 -0.33 0 C-N-CA 122.67 2.247 . . . . 0.0 111.687 176.054 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 5.7 m -66.56 141.38 57.87 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.546 179.444 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 95.3 mt -62.8 -18.98 63.59 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.538 -0.756 . . . . 0.0 112.341 -173.573 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -63.48 -48.35 79.02 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.559 -0.829 . . . . 0.0 111.477 174.457 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -65.47 -40.41 93.13 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 109.811 -0.44 . . . . 0.0 109.811 177.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 49.5 mm -64.08 -37.75 80.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.852 179.434 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 3.1 t-20 -61.42 -43.05 99.55 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.688 178.671 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 34.2 ttm180 -83.42 -22.43 32.69 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.993 0.425 . . . . 0.0 110.451 -178.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' TRP . . . . . 0.714 ' NE1' HD12 ' B' ' 95' ' ' ILE . 17.6 t90 -56.08 -51.92 66.16 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.487 -0.778 . . . . 0.0 110.658 178.221 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -75.13 -0.54 61.27 Favored Glycine 0 CA--C 1.52 0.364 0 C-N-CA 120.813 -0.708 . . . . 0.0 112.489 179.325 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 30.5 t -99.98 -16.49 17.93 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.686 0.279 . . . . 0.0 110.249 179.329 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 60.7 t -60.78 133.35 26.46 Favored 'Isoleucine or valine' 0 C--O 1.235 0.33 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.567 178.087 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -62.36 119.91 19.69 Favored Glycine 0 N--CA 1.443 -0.879 0 N-CA-C 111.336 -0.705 . . . . 0.0 111.336 177.188 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . 0.503 ' HE2' ' HA ' ' B' ' 96' ' ' ASN . 10.9 ptmm? -58.74 -24.75 62.11 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 112.109 0.411 . . . . 0.0 112.109 -175.506 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 50.6 tptt -70.23 -57.4 4.94 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.19 0.519 . . . . 0.0 110.251 175.248 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . 0.479 ' O ' HG13 ' A' ' 80' ' ' ILE . 12.6 tt0 -67.48 -30.89 70.7 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.75 -177.429 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . 0.518 ' O ' HG12 ' A' ' 81' ' ' ILE . . . -54.92 -44.46 74.24 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 109.994 -0.372 . . . . 0.0 109.994 174.945 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' MET . . . . . 0.673 ' O ' ' HG2' ' A' ' 82' ' ' LYS . 62.1 mtt -64.38 -40.61 96.16 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.36 178.654 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -63.73 -42.06 97.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.905 178.721 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . 0.479 HG13 ' O ' ' A' ' 76' ' ' GLU . 89.6 mt -62.44 -46.27 96.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.197 177.221 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . 0.518 HG12 ' O ' ' A' ' 77' ' ' ALA . 42.7 mm -61.16 -36.33 71.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.224 179.843 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . 0.673 ' HG2' ' O ' ' A' ' 78' ' ' MET . 46.8 mmtm -58.02 -49.87 75.37 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-O 121.113 0.482 . . . . 0.0 110.067 175.642 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 59.4 mttp -66.01 -41.66 90.72 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.505 -179.527 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . 0.465 ' O ' ' HG ' ' A' ' 88' ' ' LEU . 1.3 t80 -56.73 -51.46 68.76 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.569 -178.484 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -63.63 -34.31 77.54 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.376 -179.773 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . 0.409 ' HG3' ' O ' ' A' ' 82' ' ' LYS . 62.6 mttp -68.83 -42.91 76.53 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.656 -0.247 . . . . 0.0 111.269 178.76 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . 0.583 ' O ' ' HG2' ' A' ' 91' ' ' MET . 1.3 m-20 -64.44 -40.77 96.36 Favored 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 110.253 -0.277 . . . . 0.0 110.253 177.594 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.465 ' HG ' ' O ' ' A' ' 84' ' ' PHE . 93.1 mt -58.45 -43.82 88.96 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.973 0.416 . . . . 0.0 110.327 176.631 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . 0.493 ' O ' ' HG3' ' A' ' 93' ' ' ARG . . . -61.12 -44.54 97.18 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.661 -0.7 . . . . 0.0 110.881 179.552 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . 0.435 ' O ' HG13 ' A' ' 94' ' ' ILE . . . -62.37 -46.42 88.71 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.838 179.7 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' MET . . . . . 0.583 ' HG2' ' O ' ' A' ' 87' ' ' ASP . 23.6 mmt -62.81 -40.43 97.33 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.479 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 51.7 tp -59.82 -43.81 94.34 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.768 178.606 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . 0.493 ' HG3' ' O ' ' A' ' 89' ' ' ALA . 73.2 mtt180 -61.93 -34.38 75.99 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.987 -0.552 . . . . 0.0 110.43 178.37 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . 0.556 ' O ' ' HG2' ' A' ' 98' ' ' ARG . 79.9 mt -69.61 -43.94 79.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.855 177.913 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . 0.712 HD12 ' NE1' ' B' ' 69' ' ' TRP . 30.4 mm -56.84 -41.76 76.6 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.437 0 CA-C-O 121.504 0.669 . . . . 0.0 109.914 176.507 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' ASN . . . . . 0.495 ' HA ' ' HE2' ' B' ' 74' ' ' LYS . 7.2 t30 -65.29 -36.75 85.04 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 114.946 -1.024 . . . . 0.0 110.628 178.719 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -75.24 -24.64 57.69 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.775 -0.648 . . . . 0.0 111.293 -179.262 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . 0.584 ' HA ' ' NE ' ' A' ' 98' ' ' ARG . 2.8 mmp_? . . . . . 0 C--N 1.328 -0.336 0 N-CA-C 112.077 0.399 . . . . 0.0 112.077 -174.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 42' ' ' GLY . . . . . 0.421 ' H ' ' HD2' ' B' ' 43' ' ' PRO . . . . . . . . 0 CA--C 1.524 0.61 0 CA-C-O 119.06 -0.855 . . . . 0.0 113.651 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 43' ' ' PRO . . . . . 0.421 ' HD2' ' H ' ' B' ' 42' ' ' GLY . 92.7 Cg_exo -47.74 157.43 0.97 Allowed 'Trans proline' 0 C--N 1.356 0.925 0 C-N-CA 122.816 2.344 . . . . 0.0 112.894 174.275 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 44' ' ' ILE . . . . . 0.468 HD11 ' OE1' ' B' ' 76' ' ' GLU . 44.3 pt -54.72 -29.24 20.78 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.451 0 CA-C-N 115.159 -0.928 . . . . 0.0 113.139 -167.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 59.8 mtp180 -59.59 -48.67 80.74 Favored 'General case' 0 C--O 1.236 0.37 0 CA-C-O 121.406 0.622 . . . . 0.0 110.151 176.324 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 46' ' ' MET . . . . . 0.614 ' O ' HG13 ' B' ' 50' ' ' ILE . 2.0 mpt? -69.58 -31.38 69.5 Favored 'General case' 0 C--O 1.218 -0.586 0 CA-C-N 115.35 -0.841 . . . . 0.0 110.435 179.859 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 47' ' ' VAL . . . . . . . . . . . . . 59.8 t -59.19 -46.18 92.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-O 120.712 0.291 . . . . 0.0 110.875 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 11.1 mp -67.96 -36.29 79.82 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.804 178.266 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -65.88 -47.35 75.13 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.221 177.398 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 50' ' ' ILE . . . . . 0.614 HG13 ' O ' ' B' ' 46' ' ' MET . 61.9 mt -66.5 -33.05 60.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.126 -0.488 . . . . 0.0 109.988 178.761 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 51' ' ' LEU . . . . . 0.643 ' O ' ' HG2' ' B' ' 55' ' ' ARG . 10.3 tp -57.68 -55.83 29.82 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.041 -0.527 . . . . 0.0 109.845 174.761 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -55.76 -42.59 75.7 Favored 'General case' 0 C--O 1.232 0.182 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.485 178.833 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 53' ' ' PHE . . . . . . . . . . . . . 72.2 t80 -53.25 -56.24 18.12 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.564 -0.744 . . . . 0.0 110.056 174.148 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 54' ' ' LEU . . . . . . . . . . . . . 95.6 mt -73.11 -3.27 25.35 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 112.451 0.537 . . . . 0.0 112.451 -176.855 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 55' ' ' ARG . . . . . 0.643 ' HG2' ' O ' ' B' ' 51' ' ' LEU . 37.0 mmt180 -95.93 -36.12 11.2 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.802 0.334 . . . . 0.0 110.957 175.363 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 56' ' ' PHE . . . . . . . . . . . . . 86.1 m-85 -104.06 -13.84 16.13 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 111.943 0.349 . . . . 0.0 111.943 -175.709 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 57' ' ' THR . . . . . . . . . . . . . 16.9 p -109.58 -6.05 15.5 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.094 0.473 . . . . 0.0 110.074 175.845 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -147.56 -176.69 5.35 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.539 -0.755 . . . . 0.0 109.422 -178.131 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 59' ' ' ILE . . . . . . . . . . . . . 46.8 mm -119.06 -21.58 4.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-O 121.862 0.839 . . . . 0.0 110.885 179.661 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 53.9 tptt -137.05 108.68 8.96 Favored Pre-proline 0 C--N 1.306 -1.303 0 CA-C-N 115.056 -0.974 . . . . 0.0 110.797 -178.515 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 61' ' ' PRO . . . . . . . . . . . . . 16.6 Cg_exo -68.58 147.74 70.98 Favored 'Trans proline' 0 N--CA 1.463 -0.297 0 C-N-CA 122.85 2.366 . . . . 0.0 111.803 175.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 6.6 m -65.9 141.79 58.12 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.465 179.725 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 95.7 mt -63.34 -18.91 64.15 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.519 -0.764 . . . . 0.0 112.236 -173.548 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -63.31 -48.48 78.63 Favored Glycine 0 C--O 1.237 0.326 0 C-N-CA 120.537 -0.839 . . . . 0.0 111.442 174.281 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -65.37 -40.42 93.51 Favored 'General case' 0 C--O 1.222 -0.347 0 N-CA-C 109.928 -0.397 . . . . 0.0 109.928 177.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 66' ' ' ILE . . . . . . . . . . . . . 49.5 mm -64.11 -37.47 79.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.9 179.391 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 67' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 -61.57 -42.97 99.62 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.71 178.748 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 68' ' ' ARG . . . . . . . . . . . . . 34.2 ttm180 -83.58 -22.42 32.33 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.453 -178.836 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 69' ' ' TRP . . . . . 0.712 ' NE1' HD12 ' A' ' 95' ' ' ILE . 17.8 t90 -56.17 -51.78 66.74 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.488 -0.778 . . . . 0.0 110.631 178.19 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . -75.53 0.07 61.55 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.897 -0.668 . . . . 0.0 112.436 179.263 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 71' ' ' SER . . . . . . . . . . . . . 28.0 t -100.7 -16.09 17.49 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 110.247 -0.279 . . . . 0.0 110.247 179.132 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 72' ' ' VAL . . . . . . . . . . . . . 61.5 t -61.15 133.33 26.9 Favored 'Isoleucine or valine' 0 C--O 1.235 0.297 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.586 177.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 73' ' ' GLY . . . . . . . . . . . . . . . -62.21 119.55 18.34 Favored Glycine 0 N--CA 1.444 -0.824 0 N-CA-C 111.404 -0.678 . . . . 0.0 111.404 177.112 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 74' ' ' LYS . . . . . 0.495 ' HE2' ' HA ' ' A' ' 96' ' ' ASN . 10.9 ptmm? -58.28 -25.14 61.45 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 112.216 0.45 . . . . 0.0 112.216 -175.531 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 75' ' ' LYS . . . . . . . . . . . . . 50.9 tptt -69.7 -57.6 4.94 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.187 0.517 . . . . 0.0 110.314 175.181 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 76' ' ' GLU . . . . . 0.484 ' O ' HG13 ' B' ' 80' ' ' ILE . 13.3 tt0 -67.69 -30.53 70.07 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.723 -0.671 . . . . 0.0 110.754 -177.202 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 77' ' ' ALA . . . . . 0.506 ' O ' HG12 ' B' ' 81' ' ' ILE . . . -54.98 -44.78 74.74 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.88 0.372 . . . . 0.0 110.0 174.687 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 78' ' ' MET . . . . . 0.664 ' O ' ' HG2' ' B' ' 82' ' ' LYS . 62.5 mtt -64.05 -40.77 97.02 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.33 178.583 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 79' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -63.79 -41.79 97.87 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.953 178.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 80' ' ' ILE . . . . . 0.484 HG13 ' O ' ' B' ' 76' ' ' GLU . 89.9 mt -62.64 -45.97 97.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.22 177.259 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 81' ' ' ILE . . . . . 0.506 HG12 ' O ' ' B' ' 77' ' ' ALA . 42.3 mm -61.44 -36.36 72.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 115.907 -0.588 . . . . 0.0 111.145 179.894 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 82' ' ' LYS . . . . . 0.664 ' HG2' ' O ' ' B' ' 78' ' ' MET . 46.7 mmtm -57.92 -49.91 75.15 Favored 'General case' 0 C--O 1.232 0.152 0 CA-C-O 121.095 0.474 . . . . 0.0 110.101 175.567 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 83' ' ' LYS . . . . . . . . . . . . . 59.4 mttp -66.12 -41.44 90.51 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.551 -0.75 . . . . 0.0 110.628 -179.516 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 84' ' ' PHE . . . . . 0.468 ' O ' ' HG ' ' B' ' 88' ' ' LEU . 1.3 t80 -56.93 -51.37 69.42 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.582 -178.656 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 85' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -63.66 -34.45 77.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.291 -179.748 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 86' ' ' LYS . . . . . 0.405 ' HG3' ' O ' ' B' ' 82' ' ' LYS . 62.5 mttp -68.78 -43.0 76.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.565 -0.289 . . . . 0.0 111.303 178.902 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 87' ' ' ASP . . . . . 0.581 ' O ' ' HG2' ' B' ' 91' ' ' MET . 1.2 m-20 -64.26 -40.76 96.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.597 0.237 . . . . 0.0 110.452 177.436 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 88' ' ' LEU . . . . . 0.468 ' HG ' ' O ' ' B' ' 84' ' ' PHE . 92.9 mt -58.36 -43.81 88.54 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 121.004 0.43 . . . . 0.0 110.302 176.557 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 89' ' ' ALA . . . . . 0.488 ' O ' ' HG3' ' B' ' 93' ' ' ARG . . . -61.13 -44.84 96.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.907 179.58 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 90' ' ' ALA . . . . . 0.445 ' O ' HG13 ' B' ' 94' ' ' ILE . . . -62.11 -46.32 89.59 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.912 179.611 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 91' ' ' MET . . . . . 0.581 ' HG2' ' O ' ' B' ' 87' ' ' ASP . 23.6 mmt -62.83 -40.43 97.41 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.496 179.894 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 92' ' ' LEU . . . . . . . . . . . . . 51.7 tp -59.83 -43.72 94.44 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.803 178.496 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 93' ' ' ARG . . . . . 0.488 ' HG3' ' O ' ' B' ' 89' ' ' ALA . 73.3 mtt180 -62.1 -34.08 75.65 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.481 178.436 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 94' ' ' ILE . . . . . 0.554 ' O ' ' HG2' ' B' ' 98' ' ' ARG . 80.2 mt -69.96 -43.76 79.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.863 177.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 95' ' ' ILE . . . . . 0.714 HD12 ' NE1' ' A' ' 69' ' ' TRP . 30.4 mm -57.01 -41.64 77.76 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.412 0 CA-C-O 121.443 0.639 . . . . 0.0 109.875 176.478 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 96' ' ' ASN . . . . . 0.503 ' HA ' ' HE2' ' A' ' 74' ' ' LYS . 7.6 t30 -65.27 -36.95 85.7 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 114.967 -1.015 . . . . 0.0 110.529 178.736 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 97' ' ' ALA . . . . . . . . . . . . . . . -75.21 -24.46 57.76 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.815 -0.629 . . . . 0.0 111.418 -179.177 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 98' ' ' ARG . . . . . 0.581 ' NE ' ' HA ' ' B' ' 98' ' ' ARG . 2.8 mmp_? . . . . . 0 C--N 1.331 -0.235 0 N-CA-C 112.168 0.433 . . . . 0.0 112.168 -175.014 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.444 -0.769 0 CA-C-O 119.919 -0.379 . . . . 0.0 112.23 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.448 ' HD2' ' SD ' ' A' ' 46' ' ' MET . 32.5 Cg_exo -59.91 170.36 3.78 Favored 'Trans proline' 0 C--N 1.344 0.341 0 C-N-CA 122.925 2.417 . . . . 0.0 111.467 173.75 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 20.7 pt -49.49 -41.44 15.69 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.511 0 N-CA-C 113.075 0.768 . . . . 0.0 113.075 -172.069 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 97.9 mtt180 -62.26 -42.77 99.63 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 121.193 0.521 . . . . 0.0 110.765 178.375 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' MET . . . . . 0.568 ' O ' HG13 ' A' ' 50' ' ' ILE . 61.6 mtt -76.88 -20.85 55.78 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.012 179.375 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.439 HG23 ' O ' ' A' ' 43' ' ' PRO . 80.0 t -60.01 -48.76 86.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 N-CA-C 109.644 -0.502 . . . . 0.0 109.644 173.531 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 11.0 mp -65.59 -35.81 81.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.632 176.345 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -62.27 -50.77 70.37 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.86 0.362 . . . . 0.0 111.17 177.149 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.568 HG13 ' O ' ' A' ' 46' ' ' MET . 61.5 mt -66.51 -33.16 61.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-O 121.181 0.515 . . . . 0.0 110.151 178.388 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.539 ' O ' ' HG2' ' A' ' 55' ' ' ARG . 10.3 tp -61.9 -52.99 61.84 Favored 'General case' 0 N--CA 1.45 -0.427 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.188 178.678 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -56.41 -40.37 74.59 Favored 'General case' 0 CA--C 1.517 -0.318 0 O-C-N 123.298 0.374 . . . . 0.0 110.761 179.086 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . 0.482 ' HB3' ' O ' ' A' ' 50' ' ' ILE . 55.2 t80 -50.69 -59.57 3.94 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.522 -0.763 . . . . 0.0 109.447 173.359 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.5 HD11 ' H ' ' A' ' 62' ' ' SER . 85.1 mt -65.86 -23.87 66.75 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.002 -0.545 . . . . 0.0 112.03 -178.04 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.539 ' HG2' ' O ' ' A' ' 51' ' ' LEU . 27.3 mmm180 -70.07 -38.39 75.73 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.971 0.415 . . . . 0.0 111.423 179.265 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . 0.457 ' CZ ' ' HA ' ' B' ' 84' ' ' PHE . 65.7 m-85 -107.26 -7.66 16.67 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.171 -0.468 . . . . 0.0 112.125 -175.251 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 74.2 p -102.49 -21.06 14.28 Favored 'General case' 0 C--N 1.326 -0.43 0 C-N-CA 120.335 -0.546 . . . . 0.0 110.972 173.888 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -138.3 174.9 10.07 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 116.26 -0.427 . . . . 0.0 109.894 -178.508 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 11.0 tp -106.04 6.76 10.01 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-O 121.779 0.8 . . . . 0.0 110.219 179.326 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 85.4 tttt -155.58 116.2 2.29 Favored Pre-proline 0 C--N 1.323 -0.586 0 CA-C-N 115.163 -0.926 . . . . 0.0 110.905 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 8.0 Cg_exo -72.69 143.31 37.41 Favored 'Trans proline' 0 N--CA 1.46 -0.471 0 C-N-CA 122.682 2.255 . . . . 0.0 111.014 171.87 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' SER . . . . . 0.5 ' H ' HD11 ' A' ' 54' ' ' LEU . 4.7 m -64.45 141.31 58.82 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.125 0.488 . . . . 0.0 110.873 -178.05 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 88.2 mt -60.52 -26.67 67.04 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.142 -0.936 . . . . 0.0 112.227 -172.401 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -62.75 -47.89 85.5 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.831 -0.7 . . . . 0.0 111.627 176.531 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -63.13 -42.79 99.57 Favored 'General case' 0 C--O 1.221 -0.423 0 N-CA-C 110.013 -0.366 . . . . 0.0 110.013 177.333 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 37.3 mm -58.41 -41.88 82.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 121.144 0.497 . . . . 0.0 111.132 178.904 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 28.1 t-20 -63.9 -40.27 96.12 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.09 -179.043 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 64.6 ttt180 -83.08 -23.14 33.24 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.237 0.541 . . . . 0.0 110.296 -178.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' TRP . . . . . 0.617 ' NE1' HD13 ' B' ' 95' ' ' ILE . 25.1 t90 -60.83 -47.07 88.02 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.26 -0.882 . . . . 0.0 110.522 178.121 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -72.12 -6.17 63.95 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.879 -0.677 . . . . 0.0 112.344 176.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 40.1 t -95.09 -10.66 30.06 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.794 0.33 . . . . 0.0 110.121 178.707 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 77.0 t -69.84 130.71 34.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.432 179.062 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -64.72 127.79 34.23 Favored Glycine 0 N--CA 1.448 -0.527 0 N-CA-C 110.551 -1.019 . . . . 0.0 110.551 174.136 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . 0.457 ' O ' ' HG3' ' A' ' 78' ' ' MET . 6.9 ptpp? -68.4 -20.85 64.7 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 117.062 0.431 . . . . 0.0 111.154 -172.189 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 56.8 tptt -64.09 -49.99 70.07 Favored 'General case' 0 C--O 1.236 0.373 0 N-CA-C 109.471 -0.566 . . . . 0.0 109.471 173.421 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . 0.498 ' O ' HG13 ' A' ' 80' ' ' ILE . 22.5 tp10 -62.91 -44.08 97.05 Favored 'General case' 0 N--CA 1.453 -0.324 0 CA-C-N 115.55 -0.75 . . . . 0.0 109.537 176.852 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . 0.504 ' O ' HG12 ' A' ' 81' ' ' ILE . . . -53.9 -46.04 71.28 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.793 -0.639 . . . . 0.0 111.096 178.708 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' MET . . . . . 0.457 ' HG3' ' O ' ' A' ' 74' ' ' LYS . 66.5 mtt -59.34 -41.88 90.21 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.799 178.367 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -68.77 -37.05 79.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.753 179.566 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . 0.498 HG13 ' O ' ' A' ' 76' ' ' GLU . 86.6 mt -64.34 -51.43 68.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.516 177.189 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . 0.504 HG12 ' O ' ' A' ' 77' ' ' ALA . 49.2 mm -59.42 -38.08 73.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.661 -179.76 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 62.5 tttp -59.58 -49.33 78.2 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.379 177.167 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 62.2 mttp -68.49 -36.3 78.73 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.934 179.493 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . 0.519 ' O ' ' HG ' ' A' ' 88' ' ' LEU . 0.3 OUTLIER -61.26 -53.66 54.03 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.394 -179.469 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . 0.401 ' HZ2' ' HB2' ' B' ' 89' ' ' ALA . 96.7 mttt -62.84 -33.78 75.97 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.977 -179.913 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 56.2 tttp -66.0 -45.27 82.18 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.483 178.144 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -66.49 -37.38 84.96 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.121 -178.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.519 ' HG ' ' O ' ' A' ' 84' ' ' PHE . 96.7 mt -64.63 -37.33 87.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.945 178.094 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . 0.419 ' HB2' ' HZ2' ' B' ' 85' ' ' LYS . . . -63.43 -44.31 94.94 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.952 0.406 . . . . 0.0 110.457 178.034 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . 0.502 ' O ' HG13 ' A' ' 94' ' ' ILE . . . -64.94 -43.23 93.4 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.135 176.505 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' MET . . . . . 0.483 ' O ' HG12 ' A' ' 95' ' ' ILE . 41.7 ttm -54.04 -48.44 70.54 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.257 -0.883 . . . . 0.0 110.53 178.163 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.419 ' HB2' HG13 ' B' ' 81' ' ' ILE . 50.1 tp -59.67 -44.1 93.72 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.38 -0.827 . . . . 0.0 111.281 179.694 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 83.9 mtp180 -61.5 -35.18 76.97 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.147 -179.048 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . 0.564 ' O ' ' HG2' ' A' ' 98' ' ' ARG . 48.2 mt -75.9 -33.09 24.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 116.471 -0.331 . . . . 0.0 111.043 -179.308 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . 0.61 HD13 ' NE1' ' B' ' 69' ' ' TRP . 13.6 mm -56.14 -44.4 78.83 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.317 0 CA-C-O 121.482 0.658 . . . . 0.0 109.295 173.788 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 28.3 t30 -63.18 -44.32 95.74 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 114.94 -1.027 . . . . 0.0 110.414 175.853 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -62.76 -24.78 67.88 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.969 -176.888 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . 0.564 ' HG2' ' O ' ' A' ' 94' ' ' ILE . 17.1 mmt180 . . . . . 0 C--N 1.33 -0.262 0 CA-C-N 116.495 -0.321 . . . . 0.0 111.143 -179.262 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 42' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.443 -0.847 0 N-CA-C 112.144 -0.383 . . . . 0.0 112.144 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' B' B ' 43' ' ' PRO . . . . . 0.447 ' HD2' ' SD ' ' B' ' 46' ' ' MET . 32.6 Cg_exo -59.88 170.42 3.69 Favored 'Trans proline' 0 C--N 1.344 0.329 0 C-N-CA 122.803 2.335 . . . . 0.0 111.517 173.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 20.7 pt -49.29 -41.44 14.81 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.575 0 N-CA-C 113.181 0.808 . . . . 0.0 113.181 -172.112 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 98.1 mtt180 -62.48 -42.65 99.64 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 121.218 0.532 . . . . 0.0 110.684 178.524 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 46' ' ' MET . . . . . 0.566 ' O ' HG13 ' B' ' 50' ' ' ILE . 62.1 mtt -76.97 -20.94 55.49 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.907 -0.588 . . . . 0.0 111.011 179.396 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 47' ' ' VAL . . . . . 0.44 HG23 ' O ' ' B' ' 43' ' ' PRO . 77.8 t -59.9 -48.68 86.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 N-CA-C 109.685 -0.487 . . . . 0.0 109.685 173.527 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 11.0 mp -65.64 -35.81 81.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.676 176.225 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -62.26 -50.74 70.52 Favored 'General case' 0 CA--C 1.532 0.252 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.247 177.043 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 50' ' ' ILE . . . . . 0.566 HG13 ' O ' ' B' ' 46' ' ' MET . 61.5 mt -66.6 -33.26 62.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 121.123 0.487 . . . . 0.0 110.13 178.362 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 51' ' ' LEU . . . . . 0.543 ' O ' ' HG2' ' B' ' 55' ' ' ARG . 10.4 tp -61.68 -53.15 60.04 Favored 'General case' 0 N--CA 1.451 -0.412 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.186 178.53 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -56.46 -40.22 74.47 Favored 'General case' 0 N--CA 1.465 0.316 0 O-C-N 123.318 0.386 . . . . 0.0 110.753 179.151 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 53' ' ' PHE . . . . . 0.48 ' HB3' ' O ' ' B' ' 50' ' ' ILE . 55.7 t80 -50.85 -59.57 3.98 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.562 -0.744 . . . . 0.0 109.476 173.349 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 54' ' ' LEU . . . . . 0.485 HD11 ' H ' ' B' ' 62' ' ' SER . 84.9 mt -65.8 -23.87 66.8 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.029 -0.532 . . . . 0.0 112.059 -178.179 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 55' ' ' ARG . . . . . 0.543 ' HG2' ' O ' ' B' ' 51' ' ' LEU . 27.3 mmm180 -69.86 -38.76 76.55 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.886 0.374 . . . . 0.0 111.31 179.276 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 56' ' ' PHE . . . . . 0.449 ' CZ ' ' HA ' ' A' ' 84' ' ' PHE . 65.2 m-85 -107.05 -7.95 16.72 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 116.278 -0.419 . . . . 0.0 112.093 -175.088 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 57' ' ' THR . . . . . . . . . . . . . 74.1 p -102.21 -20.64 14.6 Favored 'General case' 0 C--N 1.327 -0.378 0 C-N-CA 120.285 -0.566 . . . . 0.0 111.037 173.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -138.75 174.82 10.12 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.052 -178.655 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 59' ' ' ILE . . . . . . . . . . . . . 10.9 tp -106.09 7.2 9.93 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-O 121.941 0.877 . . . . 0.0 110.328 179.332 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 85.6 tttt -155.92 116.43 2.23 Favored Pre-proline 0 C--N 1.321 -0.659 0 CA-C-N 115.024 -0.989 . . . . 0.0 110.939 179.667 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 61' ' ' PRO . . . . . . . . . . . . . 7.9 Cg_exo -72.97 143.2 36.05 Favored 'Trans proline' 0 N--CA 1.458 -0.563 0 C-N-CA 122.647 2.232 . . . . 0.0 110.977 171.73 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 62' ' ' SER . . . . . 0.485 ' H ' HD11 ' B' ' 54' ' ' LEU . 4.9 m -64.45 141.49 58.75 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.165 0.507 . . . . 0.0 110.881 -177.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 88.3 mt -60.53 -26.94 67.26 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.158 -0.928 . . . . 0.0 112.246 -172.458 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -62.39 -48.1 84.72 Favored Glycine 0 C--O 1.237 0.318 0 C-N-CA 120.644 -0.788 . . . . 0.0 111.696 176.451 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -62.89 -43.11 99.69 Favored 'General case' 0 C--O 1.22 -0.486 0 N-CA-C 109.961 -0.385 . . . . 0.0 109.961 177.401 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 66' ' ' ILE . . . . . . . . . . . . . 37.4 mm -58.15 -41.79 81.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.167 178.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 67' ' ' ASN . . . . . . . . . . . . . 28.3 t-20 -64.06 -39.81 94.9 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.176 -178.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 68' ' ' ARG . . . . . . . . . . . . . 64.3 ttt180 -83.52 -23.2 32.19 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.223 0.535 . . . . 0.0 110.287 -179.095 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 69' ' ' TRP . . . . . 0.61 ' NE1' HD13 ' A' ' 95' ' ' ILE . 25.1 t90 -60.74 -47.18 87.44 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.276 -0.875 . . . . 0.0 110.579 178.162 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . -71.9 -6.33 63.49 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.938 -0.649 . . . . 0.0 112.32 176.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 71' ' ' SER . . . . . . . . . . . . . 38.1 t -94.95 -10.62 30.52 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.845 0.355 . . . . 0.0 110.108 178.708 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 72' ' ' VAL . . . . . . . . . . . . . 81.0 t -69.94 130.42 34.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.479 179.285 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 73' ' ' GLY . . . . . . . . . . . . . . . -64.33 127.48 34.91 Favored Glycine 0 N--CA 1.448 -0.56 0 N-CA-C 110.52 -1.032 . . . . 0.0 110.52 174.167 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 74' ' ' LYS . . . . . 0.466 ' O ' ' HG3' ' B' ' 78' ' ' MET . 7.0 ptpp? -68.25 -20.68 64.82 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 117.116 0.458 . . . . 0.0 111.253 -172.246 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 75' ' ' LYS . . . . . . . . . . . . . 56.6 tptt -64.42 -50.0 69.3 Favored 'General case' 0 C--O 1.235 0.297 0 N-CA-C 109.381 -0.6 . . . . 0.0 109.381 173.415 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 76' ' ' GLU . . . . . 0.496 ' O ' HG13 ' B' ' 80' ' ' ILE . 22.3 tp10 -62.76 -44.15 96.94 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.524 -0.762 . . . . 0.0 109.532 176.744 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 77' ' ' ALA . . . . . 0.493 ' O ' HG12 ' B' ' 81' ' ' ILE . . . -53.82 -46.06 71.01 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.867 -0.606 . . . . 0.0 111.144 178.646 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 78' ' ' MET . . . . . 0.466 ' HG3' ' O ' ' B' ' 74' ' ' LYS . 66.8 mtt -59.23 -42.15 90.35 Favored 'General case' 0 C--O 1.233 0.205 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.748 178.34 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 79' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -68.62 -37.05 79.43 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.769 179.645 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 80' ' ' ILE . . . . . 0.496 HG13 ' O ' ' B' ' 76' ' ' GLU . 86.4 mt -64.34 -51.47 67.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.627 177.088 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 81' ' ' ILE . . . . . 0.493 HG12 ' O ' ' B' ' 77' ' ' ALA . 49.3 mm -59.34 -38.18 73.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.751 -179.875 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 82' ' ' LYS . . . . . . . . . . . . . 62.3 tttp -59.44 -49.17 78.82 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.89 -0.596 . . . . 0.0 110.464 177.143 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 83' ' ' LYS . . . . . . . . . . . . . 61.9 mttp -68.66 -36.22 78.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.826 -0.624 . . . . 0.0 110.896 179.57 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 84' ' ' PHE . . . . . 0.521 ' O ' ' HG ' ' B' ' 88' ' ' LEU . 0.3 OUTLIER -61.43 -53.53 55.29 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.782 -0.644 . . . . 0.0 110.357 -179.526 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' B' B ' 85' ' ' LYS . . . . . 0.419 ' HZ2' ' HB2' ' A' ' 89' ' ' ALA . 96.7 mttt -63.17 -33.46 75.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.918 -179.852 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 86' ' ' LYS . . . . . . . . . . . . . 56.1 tttp -66.17 -45.23 81.61 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.532 178.102 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 87' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -66.45 -37.54 85.38 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.122 -179.07 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 88' ' ' LEU . . . . . 0.521 ' HG ' ' O ' ' B' ' 84' ' ' PHE . 96.8 mt -64.51 -37.45 87.59 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.979 178.044 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 89' ' ' ALA . . . . . 0.401 ' HB2' ' HZ2' ' A' ' 85' ' ' LYS . . . -63.18 -44.06 96.46 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.999 0.428 . . . . 0.0 110.442 178.057 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 90' ' ' ALA . . . . . 0.51 ' O ' HG13 ' B' ' 94' ' ' ILE . . . -65.31 -43.28 91.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.139 176.665 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 91' ' ' MET . . . . . 0.484 ' O ' HG12 ' B' ' 95' ' ' ILE . 41.6 ttm -54.01 -48.45 70.45 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.179 -0.919 . . . . 0.0 110.496 178.152 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 92' ' ' LEU . . . . . 0.424 ' HB2' HG13 ' A' ' 81' ' ' ILE . 50.7 tp -59.76 -44.07 94.03 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.418 -0.81 . . . . 0.0 111.261 179.75 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 93' ' ' ARG . . . . . . . . . . . . . 83.8 mtp180 -61.87 -34.41 75.96 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.24 -178.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 94' ' ' ILE . . . . . 0.572 ' O ' ' HG2' ' B' ' 98' ' ' ARG . 48.6 mt -76.56 -32.8 21.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-N 116.491 -0.322 . . . . 0.0 111.022 -179.538 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 95' ' ' ILE . . . . . 0.617 HD13 ' NE1' ' A' ' 69' ' ' TRP . 13.7 mm -56.28 -44.9 80.82 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.309 0 N-CA-C 109.201 -0.666 . . . . 0.0 109.201 173.652 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 96' ' ' ASN . . . . . 0.415 ' OD1' ' HE2' ' A' ' 74' ' ' LYS . 28.9 t30 -62.7 -44.65 95.69 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.013 -0.994 . . . . 0.0 110.324 175.885 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 97' ' ' ALA . . . . . . . . . . . . . . . -62.18 -25.14 67.6 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.093 -0.503 . . . . 0.0 112.052 -176.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 98' ' ' ARG . . . . . 0.572 ' HG2' ' O ' ' B' ' 94' ' ' ILE . 16.7 mmt180 . . . . . 0 C--N 1.33 -0.257 0 CA-C-O 120.776 0.322 . . . . 0.0 111.161 -179.125 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.443 -0.835 0 N-CA-C 112.025 -0.43 . . . . 0.0 112.025 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.461 ' O ' HG23 ' A' ' 47' ' ' VAL . 22.5 Cg_exo -65.0 171.72 8.37 Favored 'Trans proline' 0 N--CA 1.462 -0.338 0 C-N-CA 122.387 2.058 . . . . 0.0 111.429 174.912 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.421 ' HB ' HG13 ' A' ' 72' ' ' VAL . 24.6 pt -53.55 -33.0 21.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-O 120.991 0.424 . . . . 0.0 111.522 -177.197 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 19.8 mtp180 -59.59 -46.43 88.96 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.038 177.782 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 84.2 mtp -77.55 -22.41 51.07 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.084 -178.299 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.461 HG23 ' O ' ' A' ' 43' ' ' PRO . 96.8 t -63.9 -41.62 93.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 N-CA-C 110.013 -0.366 . . . . 0.0 110.013 175.734 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 68.5 mt -71.8 -34.04 69.04 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.302 175.214 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -61.65 -50.58 71.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.051 177.75 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 15.4 tt -72.87 -25.63 22.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.587 -179.438 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.481 ' O ' ' HG2' ' A' ' 55' ' ' ARG . 12.9 tp -60.07 -58.24 9.37 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.083 175.778 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . 0.443 ' O ' ' HD1' ' A' ' 56' ' ' PHE . . . -55.27 -42.95 74.24 Favored 'General case' 0 CA--C 1.516 -0.328 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.28 179.431 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . 0.418 ' HB2' ' HB2' ' B' ' 53' ' ' PHE . 72.7 t80 -51.85 -59.65 4.07 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.273 175.248 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 95.1 mt -71.42 -6.68 42.11 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 112.505 0.557 . . . . 0.0 112.505 -175.545 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.481 ' HG2' ' O ' ' A' ' 51' ' ' LEU . 10.4 mmm180 -98.24 -32.37 11.6 Favored 'General case' 0 C--N 1.327 -0.406 0 O-C-N 122.225 -0.297 . . . . 0.0 111.564 178.491 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . 0.443 ' HD1' ' O ' ' A' ' 52' ' ' ALA . 85.2 m-85 -96.98 -5.88 36.79 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 120.778 0.323 . . . . 0.0 110.958 179.189 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 70.3 p -100.59 -33.03 10.47 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.821 172.427 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -149.24 -179.59 7.16 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.816 -176.292 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.422 HD13 ' N ' ' A' ' 59' ' ' ILE . 4.1 mp -111.5 123.97 67.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.03 -179.644 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 88.8 tttt 63.75 99.52 0.04 OUTLIER Pre-proline 0 N--CA 1.466 0.365 0 O-C-N 123.721 0.638 . . . . 0.0 111.012 -178.473 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 36.1 Cg_exo -61.03 -66.59 0.06 OUTLIER 'Trans proline' 0 C--N 1.345 0.375 0 C-N-CA 123.246 2.631 . . . . 0.0 112.524 -178.274 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' SER . . . . . 0.505 ' O ' HG12 ' A' ' 66' ' ' ILE . 61.8 p 178.98 151.27 0.31 Allowed 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 108.867 -0.79 . . . . 0.0 108.867 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 83.6 mt -67.92 -20.51 65.09 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.574 -0.285 . . . . 0.0 110.893 -178.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -72.59 -46.35 32.12 Favored Glycine 0 N--CA 1.448 -0.505 0 C-N-CA 121.05 -0.595 . . . . 0.0 112.018 176.654 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -67.03 -40.39 87.2 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.661 0.267 . . . . 0.0 110.487 178.145 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.505 HG12 ' O ' ' A' ' 62' ' ' SER . 49.5 mm -65.72 -32.18 57.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 121.136 0.493 . . . . 0.0 110.599 178.749 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 49.8 t-20 -63.28 -45.68 90.29 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.92 -0.582 . . . . 0.0 109.802 176.2 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 22.4 ttt-85 -77.09 -22.78 52.24 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.271 0.557 . . . . 0.0 109.716 -178.275 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' TRP . . . . . 0.59 ' NE1' HD12 ' B' ' 95' ' ' ILE . 24.6 t90 -59.36 -44.58 92.67 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.149 -0.932 . . . . 0.0 110.482 176.762 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -74.51 -3.99 68.37 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.464 178.492 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 32.5 t -92.28 -17.32 24.92 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.843 0.354 . . . . 0.0 110.281 179.097 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.421 HG13 ' HB ' ' A' ' 44' ' ' ILE . 98.8 t -60.51 132.0 25.64 Favored 'Isoleucine or valine' 0 C--O 1.234 0.266 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.122 178.366 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -61.29 116.2 9.0 Favored Glycine 0 N--CA 1.442 -0.949 0 N-CA-C 110.471 -1.052 . . . . 0.0 110.471 175.677 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . 0.58 ' O ' ' HG3' ' A' ' 78' ' ' MET . 4.9 ptpp? -62.65 -24.02 67.4 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.677 0.238 . . . . 0.0 111.497 -173.681 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 42.7 tptt -65.83 -50.06 65.97 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 109.719 -0.474 . . . . 0.0 109.719 171.762 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . 0.451 ' O ' HG13 ' A' ' 80' ' ' ILE . 10.1 tp10 -63.4 -38.9 92.92 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.661 -0.699 . . . . 0.0 109.729 178.289 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -56.94 -43.45 81.54 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.7 177.67 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' MET . . . . . 0.58 ' HG3' ' O ' ' A' ' 74' ' ' LYS . 67.9 mtt -61.41 -40.62 95.08 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.428 177.782 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 67.9 mm-40 -67.25 -45.97 75.11 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.882 178.418 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . 0.499 ' O ' ' HB2' ' A' ' 84' ' ' PHE . 96.8 mt -60.63 -50.62 79.71 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.371 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.953 179.494 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 45.2 mm -62.79 -35.97 73.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-O 120.959 0.409 . . . . 0.0 110.93 -179.555 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 24.3 ttpp -62.59 -50.57 70.74 Favored 'General case' 0 C--O 1.238 0.457 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.933 178.504 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 18.8 ptpt -73.6 -25.44 60.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.52 -0.309 . . . . 0.0 110.546 179.474 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . 0.514 ' O ' ' HG ' ' A' ' 88' ' ' LEU . 1.8 t80 -62.46 -53.21 58.21 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.011 -0.54 . . . . 0.0 109.62 177.453 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -61.85 -35.54 78.57 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-N 115.716 -0.674 . . . . 0.0 110.606 178.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 26.4 ttpp -58.06 -51.26 70.44 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-N 115.861 -0.608 . . . . 0.0 110.789 176.539 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . 0.491 ' O ' ' HG3' ' A' ' 91' ' ' MET . 0.8 OUTLIER -70.01 -32.42 70.58 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.376 -178.691 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.514 ' HG ' ' O ' ' A' ' 84' ' ' PHE . 77.3 mt -61.22 -40.16 92.97 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.877 0.37 . . . . 0.0 110.404 175.729 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -62.58 -41.67 99.09 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.4 177.105 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . 0.599 ' O ' HG13 ' A' ' 94' ' ' ILE . . . -63.55 -47.63 80.81 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.546 176.252 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' MET . . . . . 0.541 ' O ' HG12 ' A' ' 95' ' ' ILE . 65.6 mtt -56.46 -51.0 70.07 Favored 'General case' 0 N--CA 1.463 0.199 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.663 179.251 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 7.7 tt -55.09 -45.53 75.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.594 177.635 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 1.5 ttp180 -60.2 -38.08 82.19 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.322 -0.854 . . . . 0.0 111.138 178.571 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . 0.599 HG13 ' O ' ' A' ' 90' ' ' ALA . 62.1 mt -74.82 -34.0 32.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 116.627 -0.261 . . . . 0.0 111.214 -179.667 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . 0.597 HD12 ' NE1' ' B' ' 69' ' ' TRP . 14.3 mm -54.91 -46.19 75.9 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.336 0 N-CA-C 109.268 -0.641 . . . . 0.0 109.268 175.109 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 93.0 m-20 -60.62 -42.78 97.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.341 -0.845 . . . . 0.0 110.606 175.118 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -70.18 -14.77 62.78 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.347 -0.388 . . . . 0.0 112.028 -176.073 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . 0.595 ' HG2' ' O ' ' A' ' 94' ' ' ILE . 12.4 mmm180 . . . . . 0 C--N 1.326 -0.42 0 CA-C-O 120.863 0.363 . . . . 0.0 110.925 178.355 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 42' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.443 -0.834 0 N-CA-C 112.064 -0.414 . . . . 0.0 112.064 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' B' B ' 43' ' ' PRO . . . . . 0.464 ' O ' HG23 ' B' ' 47' ' ' VAL . 22.5 Cg_exo -64.86 172.01 7.76 Favored 'Trans proline' 0 N--CA 1.462 -0.369 0 C-N-CA 122.44 2.094 . . . . 0.0 111.348 175.135 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 44' ' ' ILE . . . . . 0.431 ' HB ' HG13 ' B' ' 72' ' ' VAL . 24.1 pt -53.89 -33.04 23.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-O 120.888 0.375 . . . . 0.0 111.51 -177.198 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 19.9 mtp180 -59.43 -46.45 88.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.879 -0.6 . . . . 0.0 111.073 177.655 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 46' ' ' MET . . . . . . . . . . . . . 84.7 mtp -77.66 -22.23 50.93 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.127 -178.253 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 47' ' ' VAL . . . . . 0.464 HG23 ' O ' ' B' ' 43' ' ' PRO . 96.8 t -63.96 -41.68 93.28 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 N-CA-C 109.937 -0.394 . . . . 0.0 109.937 175.685 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 67.8 mt -71.86 -33.98 68.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.906 0.384 . . . . 0.0 110.341 175.205 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -61.6 -50.6 71.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.026 -0.533 . . . . 0.0 111.131 177.629 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 50' ' ' ILE . . . . . . . . . . . . . 15.5 tt -72.92 -25.7 22.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.558 -179.397 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 51' ' ' LEU . . . . . 0.486 ' O ' ' HG2' ' B' ' 55' ' ' ARG . 12.8 tp -59.99 -58.25 9.34 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.394 -0.367 . . . . 0.0 110.088 175.788 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 52' ' ' ALA . . . . . 0.438 ' O ' ' HD1' ' B' ' 56' ' ' PHE . . . -55.25 -42.86 74.03 Favored 'General case' 0 CA--C 1.517 -0.306 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.307 179.437 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 53' ' ' PHE . . . . . 0.418 ' HB2' ' HB2' ' A' ' 53' ' ' PHE . 72.3 t80 -52.03 -59.62 4.14 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.225 175.293 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 54' ' ' LEU . . . . . . . . . . . . . 95.1 mt -71.42 -6.54 41.05 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 112.519 0.563 . . . . 0.0 112.519 -175.547 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 55' ' ' ARG . . . . . 0.486 ' HG2' ' O ' ' B' ' 51' ' ' LEU . 10.4 mmm180 -98.48 -31.93 11.73 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.692 0.282 . . . . 0.0 111.621 178.411 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 56' ' ' PHE . . . . . 0.438 ' HD1' ' O ' ' B' ' 52' ' ' ALA . 84.8 m-85 -97.32 -5.75 35.88 Favored 'General case' 0 C--N 1.321 -0.667 0 C-N-CA 120.886 -0.326 . . . . 0.0 110.909 179.137 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 57' ' ' THR . . . . . . . . . . . . . 70.5 p -100.6 -33.06 10.46 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.868 172.581 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -149.39 -179.43 7.06 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.78 -176.204 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 59' ' ' ILE . . . . . 0.418 ' N ' HD13 ' B' ' 59' ' ' ILE . 4.1 mp -111.72 124.29 68.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 N-CA-C 109.895 -0.409 . . . . 0.0 109.895 -179.388 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 88.8 tttt 63.44 99.72 0.04 OUTLIER Pre-proline 0 N--CA 1.466 0.346 0 O-C-N 123.817 0.698 . . . . 0.0 110.856 -178.484 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 61' ' ' PRO . . . . . . . . . . . . . 36.4 Cg_exo -61.17 -67.42 0.05 OUTLIER 'Trans proline' 0 C--N 1.345 0.377 0 C-N-CA 123.226 2.617 . . . . 0.0 112.313 -178.564 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 62' ' ' SER . . . . . 0.504 ' O ' HG12 ' B' ' 66' ' ' ILE . 61.6 p 179.78 151.4 0.39 Allowed 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.792 -0.818 . . . . 0.0 108.792 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 82.7 mt -67.93 -20.97 65.13 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.658 -0.246 . . . . 0.0 110.834 -178.848 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -72.25 -46.35 34.89 Favored Glycine 0 N--CA 1.449 -0.462 0 C-N-CA 121.076 -0.583 . . . . 0.0 112.071 176.634 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -67.01 -40.33 87.26 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.544 0.211 . . . . 0.0 110.545 178.033 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 66' ' ' ILE . . . . . 0.504 HG12 ' O ' ' B' ' 62' ' ' SER . 49.4 mm -65.89 -31.96 56.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-O 121.123 0.487 . . . . 0.0 110.572 178.784 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 67' ' ' ASN . . . . . . . . . . . . . 49.3 t-20 -63.4 -45.62 90.22 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.995 -0.548 . . . . 0.0 109.857 176.031 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 68' ' ' ARG . . . . . . . . . . . . . 23.7 ttt-85 -77.15 -22.56 52.37 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.306 0.574 . . . . 0.0 109.763 -178.267 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 69' ' ' TRP . . . . . 0.597 ' NE1' HD12 ' A' ' 95' ' ' ILE . 24.7 t90 -59.55 -44.57 93.19 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.086 -0.961 . . . . 0.0 110.435 176.911 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . -74.34 -4.55 69.4 Favored Glycine 0 N--CA 1.45 -0.405 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.499 178.496 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 71' ' ' SER . . . . . . . . . . . . . 31.6 t -91.85 -17.44 25.28 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.885 0.374 . . . . 0.0 110.23 179.262 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 72' ' ' VAL . . . . . 0.431 HG13 ' HB ' ' B' ' 44' ' ' ILE . 98.7 t -60.4 132.07 25.54 Favored 'Isoleucine or valine' 0 C--O 1.234 0.27 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.112 178.354 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 73' ' ' GLY . . . . . . . . . . . . . . . -61.56 116.36 9.24 Favored Glycine 0 N--CA 1.441 -1.016 0 N-CA-C 110.346 -1.102 . . . . 0.0 110.346 175.841 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 74' ' ' LYS . . . . . 0.581 ' O ' ' HG3' ' B' ' 78' ' ' MET . 4.9 ptpp? -62.73 -23.86 67.39 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.746 0.273 . . . . 0.0 111.501 -173.567 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 75' ' ' LYS . . . . . . . . . . . . . 42.5 tptt -65.86 -50.16 65.53 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 109.709 -0.478 . . . . 0.0 109.709 171.823 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 76' ' ' GLU . . . . . 0.447 ' O ' HG13 ' B' ' 80' ' ' ILE . 9.5 tp10 -63.29 -38.83 92.69 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.689 -0.687 . . . . 0.0 109.74 178.241 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 77' ' ' ALA . . . . . . . . . . . . . . . -56.84 -43.58 81.26 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.719 177.582 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 78' ' ' MET . . . . . 0.581 ' HG3' ' O ' ' B' ' 74' ' ' LYS . 67.9 mtt -61.16 -40.88 95.52 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.49 177.865 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 79' ' ' GLU . . . . . . . . . . . . . 67.7 mm-40 -67.09 -45.9 75.88 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.924 178.419 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 80' ' ' ILE . . . . . 0.503 ' O ' ' HB2' ' B' ' 84' ' ' PHE . 96.9 mt -60.72 -50.61 79.78 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.334 0 CA-C-N 115.839 -0.618 . . . . 0.0 110.903 179.524 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 81' ' ' ILE . . . . . . . . . . . . . 45.3 mm -62.9 -35.97 73.55 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-O 120.874 0.368 . . . . 0.0 110.885 -179.606 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 82' ' ' LYS . . . . . . . . . . . . . 24.1 ttpp -62.48 -50.8 69.99 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.891 178.426 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 83' ' ' LYS . . . . . . . . . . . . . 18.8 ptpt -73.49 -25.21 60.35 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.801 0.334 . . . . 0.0 110.564 179.583 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 84' ' ' PHE . . . . . 0.514 ' O ' ' HG ' ' B' ' 88' ' ' LEU . 1.8 t80 -62.62 -53.21 57.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.044 -0.526 . . . . 0.0 109.588 177.432 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 85' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -61.88 -35.28 77.86 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.653 178.884 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 86' ' ' LYS . . . . . . . . . . . . . 26.4 ttpp -58.23 -51.65 68.87 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.653 176.428 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 87' ' ' ASP . . . . . 0.486 ' O ' ' HG3' ' B' ' 91' ' ' MET . 0.7 OUTLIER -69.55 -32.32 71.04 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.501 -178.548 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' B' B ' 88' ' ' LEU . . . . . 0.514 ' HG ' ' O ' ' B' ' 84' ' ' PHE . 78.2 mt -61.47 -40.0 92.96 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.896 0.379 . . . . 0.0 110.354 175.91 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -62.67 -41.82 99.29 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.335 177.058 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 90' ' ' ALA . . . . . 0.601 ' O ' HG13 ' B' ' 94' ' ' ILE . . . -63.39 -47.47 81.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.596 176.345 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 91' ' ' MET . . . . . 0.529 ' O ' HG12 ' B' ' 95' ' ' ILE . 65.6 mtt -56.49 -51.12 69.68 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.608 179.187 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 92' ' ' LEU . . . . . . . . . . . . . 7.7 tt -55.07 -45.54 75.35 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.625 177.659 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 93' ' ' ARG . . . . . 0.421 HH11 ' HD2' ' B' ' 93' ' ' ARG . 1.4 ttp180 -60.07 -38.27 82.37 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.297 -0.865 . . . . 0.0 111.173 178.515 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 94' ' ' ILE . . . . . 0.601 HG13 ' O ' ' B' ' 90' ' ' ALA . 62.6 mt -74.8 -33.97 32.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.638 -0.255 . . . . 0.0 111.172 -179.584 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 95' ' ' ILE . . . . . 0.59 HD12 ' NE1' ' A' ' 69' ' ' TRP . 14.1 mm -54.72 -46.35 73.86 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.301 0 N-CA-C 109.203 -0.665 . . . . 0.0 109.203 175.016 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 96' ' ' ASN . . . . . . . . . . . . . 92.6 m-20 -60.66 -42.53 97.22 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.339 -0.846 . . . . 0.0 110.725 175.364 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 97' ' ' ALA . . . . . . . . . . . . . . . -70.3 -14.78 62.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.33 -0.396 . . . . 0.0 111.981 -176.199 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 98' ' ' ARG . . . . . 0.596 ' HG2' ' O ' ' B' ' 94' ' ' ILE . 12.4 mmm180 . . . . . 0 C--N 1.325 -0.46 0 CA-C-O 120.789 0.328 . . . . 0.0 110.839 178.38 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.445 -0.716 0 N-CA-C 112.492 -0.243 . . . . 0.0 112.492 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.465 ' O ' HG22 ' A' ' 47' ' ' VAL . 22.8 Cg_exo -65.47 174.71 4.93 Favored 'Trans proline' 0 C--O 1.233 0.235 0 C-N-CA 122.964 2.443 . . . . 0.0 112.294 177.333 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 22.7 pt -53.9 -38.28 36.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 N-CA-C 112.642 0.608 . . . . 0.0 112.642 -173.301 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 19.0 mtp180 -62.5 -45.61 92.2 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-O 120.896 0.379 . . . . 0.0 110.719 179.446 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' MET . . . . . 0.553 ' O ' HG13 ' A' ' 50' ' ' ILE . 24.1 mtt -60.18 -36.25 77.21 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.836 176.2 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.465 HG22 ' O ' ' A' ' 43' ' ' PRO . 64.0 t -60.36 -45.93 95.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.454 -0.339 . . . . 0.0 111.011 -178.75 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 11.1 mp -65.56 -32.46 74.06 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.803 0.335 . . . . 0.0 110.8 178.523 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -69.31 -47.63 63.9 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.875 176.39 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.553 HG13 ' O ' ' A' ' 46' ' ' MET . 61.3 mt -64.46 -33.37 62.45 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.166 0 CA-C-O 121.132 0.492 . . . . 0.0 109.897 177.715 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.623 ' O ' ' HG2' ' A' ' 55' ' ' ARG . 14.6 tp -56.38 -59.03 5.55 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.515 -0.766 . . . . 0.0 110.111 175.323 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . 0.446 ' O ' ' HD1' ' A' ' 56' ' ' PHE . . . -57.47 -41.93 81.61 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.899 -0.592 . . . . 0.0 110.634 -179.818 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 88.2 t80 -52.02 -59.87 3.85 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.266 175.522 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 96.0 mt -65.88 -15.36 62.87 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 112.298 0.481 . . . . 0.0 112.298 -176.895 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.623 ' HG2' ' O ' ' A' ' 51' ' ' LEU . 41.4 mmt180 -82.96 -50.04 8.98 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.1 0.476 . . . . 0.0 111.301 178.145 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . 0.559 ' CZ ' ' HA ' ' B' ' 84' ' ' PHE . 87.7 m-85 -89.56 -13.97 36.13 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.759 -172.689 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 44.6 p -99.99 -46.75 5.24 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.257 0.551 . . . . 0.0 110.574 176.589 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -119.11 -178.83 3.66 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.409 -172.46 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 4.2 mp -120.72 124.55 72.63 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-N 115.755 -0.657 . . . . 0.0 109.314 176.8 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 1.6 tmtp? 72.83 96.92 0.04 OUTLIER Pre-proline 0 C--O 1.234 0.277 0 O-C-N 124.017 0.823 . . . . 0.0 110.31 -178.782 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 16.0 Cg_exo -70.16 144.96 53.48 Favored 'Trans proline' 0 C--O 1.236 0.386 0 C-N-CA 123.049 2.499 . . . . 0.0 111.539 174.905 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 39.1 m -57.84 139.33 54.35 Favored 'General case' 0 C--O 1.237 0.404 0 CA-C-O 121.309 0.576 . . . . 0.0 111.138 179.873 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 96.2 mt -66.35 -16.47 64.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.317 -0.856 . . . . 0.0 112.256 -172.283 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -64.81 -48.4 72.46 Favored Glycine 0 C--O 1.238 0.386 0 C-N-CA 120.498 -0.858 . . . . 0.0 111.313 174.526 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -64.09 -40.42 96.2 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 109.657 -0.497 . . . . 0.0 109.657 176.729 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.444 ' O ' ' HB3' ' A' ' 69' ' ' TRP . 49.0 mm -63.3 -34.94 70.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 115.727 -0.67 . . . . 0.0 111.03 178.613 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 -64.87 -40.84 95.77 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.523 179.369 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 28.2 ttm180 -81.97 -24.2 35.63 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.086 0.47 . . . . 0.0 109.838 179.514 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' TRP . . . . . 0.554 ' NE1' HD12 ' B' ' 95' ' ' ILE . 38.3 t90 -56.91 -50.75 71.59 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.377 -0.829 . . . . 0.0 110.38 175.189 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -75.18 -0.7 61.9 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.846 -0.692 . . . . 0.0 112.592 178.295 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 33.2 t -95.25 -10.1 31.31 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.943 0.402 . . . . 0.0 110.172 178.756 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 40.1 t -75.11 140.05 18.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-N 115.961 -0.563 . . . . 0.0 109.634 177.661 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -68.0 136.85 31.15 Favored Glycine 0 N--CA 1.441 -0.988 0 N-CA-C 111.042 -0.823 . . . . 0.0 111.042 177.243 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . 0.434 ' HD3' ' HA ' ' B' ' 96' ' ' ASN . 44.1 mttp -59.56 -42.83 93.34 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 120.836 0.35 . . . . 0.0 110.311 -175.882 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 55.6 tptt -63.71 -45.21 91.02 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.545 177.357 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . 0.481 ' O ' HG13 ' A' ' 80' ' ' ILE . 15.8 tp10 -61.61 -45.49 93.87 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.854 -0.612 . . . . 0.0 109.993 -179.719 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -60.4 -40.63 91.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.676 178.638 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' MET . . . . . 0.52 ' SD ' HD23 ' B' ' 92' ' ' LEU . 61.2 mmm -55.85 -42.61 76.09 Favored 'General case' 0 C--O 1.233 0.237 0 CA-C-O 120.947 0.403 . . . . 0.0 110.595 177.433 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -73.25 -38.77 65.86 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.775 -0.648 . . . . 0.0 111.002 -179.31 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . 0.481 HG13 ' O ' ' A' ' 76' ' ' GLU . 86.1 mt -65.05 -48.55 83.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.574 178.502 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 41.2 mm -63.61 -34.26 66.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.67 179.458 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 29.2 ttpp -58.87 -49.85 76.23 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.093 0.473 . . . . 0.0 110.108 175.549 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 14.0 tmtt? -67.2 -36.22 81.26 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.815 -0.63 . . . . 0.0 109.623 178.759 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . 0.579 ' HA ' ' CZ ' ' B' ' 56' ' ' PHE . 1.4 t80 -59.18 -54.41 47.2 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.5 -0.773 . . . . 0.0 110.589 -179.79 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . 0.417 ' HZ2' ' HB1' ' B' ' 89' ' ' ALA . 99.7 mttt -58.67 -44.97 90.37 Favored 'General case' 0 C--O 1.233 0.19 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.125 -179.59 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 60.8 mtpt -66.05 -36.58 83.63 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.377 -177.491 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 16.9 t0 -68.97 -39.53 79.39 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 109.306 -0.628 . . . . 0.0 109.306 179.363 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.495 ' HG ' ' O ' ' A' ' 84' ' ' PHE . 96.2 mt -59.33 -46.21 89.22 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.533 -0.758 . . . . 0.0 110.087 174.908 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . 0.413 ' HB1' ' HZ2' ' B' ' 85' ' ' LYS . . . -61.58 -36.36 80.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.741 -0.663 . . . . 0.0 111.361 -179.558 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . 0.561 ' O ' HG13 ' A' ' 94' ' ' ILE . . . -67.53 -50.4 58.85 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.567 178.75 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 74.4 mtm -66.07 -34.23 77.59 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.725 179.715 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.533 HD23 ' SD ' ' B' ' 78' ' ' MET . 51.6 tp -56.33 -45.42 80.36 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.564 0.697 . . . . 0.0 110.336 173.855 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 67.4 ttt180 -64.72 -32.72 74.52 Favored 'General case' 0 N--CA 1.439 -1.01 0 CA-C-N 115.472 -0.786 . . . . 0.0 110.672 178.736 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . 0.561 HG13 ' O ' ' A' ' 90' ' ' ALA . 19.5 mt -70.71 -28.63 34.87 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 C-N-CA 120.794 -0.363 . . . . 0.0 110.315 177.809 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . 0.534 HD12 ' CD1' ' B' ' 69' ' ' TRP . 29.7 mm -57.39 -48.08 83.4 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.14 0 CA-C-O 121.631 0.729 . . . . 0.0 109.157 171.138 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' ASN . . . . . 0.437 ' HA ' ' HD3' ' B' ' 74' ' ' LYS . 51.1 t30 -66.41 -35.54 80.58 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 114.894 -1.048 . . . . 0.0 110.403 177.245 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . 0.405 ' HB3' ' HA ' ' A' ' 94' ' ' ILE . . . -71.14 -7.46 46.82 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.556 -0.747 . . . . 0.0 112.137 -178.71 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . 0.407 ' HG2' ' O ' ' A' ' 94' ' ' ILE . 5.2 mmp_? . . . . . 0 C--N 1.331 -0.209 0 CA-C-O 120.956 0.407 . . . . 0.0 110.517 178.696 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 42' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.446 -0.692 0 N-CA-C 112.543 -0.223 . . . . 0.0 112.543 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' B' B ' 43' ' ' PRO . . . . . 0.466 ' O ' HG22 ' B' ' 47' ' ' VAL . 22.8 Cg_exo -65.63 174.79 5.0 Favored 'Trans proline' 0 C--N 1.343 0.282 0 C-N-CA 122.817 2.344 . . . . 0.0 112.311 177.57 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 22.5 pt -53.92 -38.38 36.55 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 N-CA-C 112.564 0.579 . . . . 0.0 112.564 -173.181 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 19.0 mtp180 -62.19 -45.47 93.23 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-O 120.861 0.362 . . . . 0.0 110.803 179.335 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 46' ' ' MET . . . . . 0.552 ' O ' HG13 ' B' ' 50' ' ' ILE . 24.0 mtt -60.66 -36.11 77.9 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.734 176.518 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 47' ' ' VAL . . . . . 0.466 HG22 ' O ' ' B' ' 43' ' ' PRO . 63.4 t -60.33 -45.95 95.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.11 -178.873 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 11.1 mp -65.37 -32.68 74.45 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.74 0.305 . . . . 0.0 110.924 178.355 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -69.07 -47.71 64.59 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.922 176.258 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 50' ' ' ILE . . . . . 0.552 HG13 ' O ' ' B' ' 46' ' ' MET . 61.2 mt -64.36 -33.57 63.59 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.16 0 CA-C-O 121.146 0.498 . . . . 0.0 109.95 177.729 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 51' ' ' LEU . . . . . 0.623 ' O ' ' HG2' ' B' ' 55' ' ' ARG . 14.7 tp -56.29 -58.98 5.68 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.531 -0.759 . . . . 0.0 110.124 175.287 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 52' ' ' ALA . . . . . 0.469 ' O ' ' HD1' ' B' ' 56' ' ' PHE . . . -57.5 -41.99 81.85 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.676 -179.859 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 53' ' ' PHE . . . . . . . . . . . . . 88.3 t80 -51.97 -59.75 3.98 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.351 175.471 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 54' ' ' LEU . . . . . . . . . . . . . 96.0 mt -66.0 -15.48 63.06 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 112.29 0.478 . . . . 0.0 112.29 -176.879 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 55' ' ' ARG . . . . . 0.623 ' HG2' ' O ' ' B' ' 51' ' ' LEU . 41.6 mmt180 -82.76 -50.47 8.65 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.077 0.465 . . . . 0.0 111.181 178.094 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 56' ' ' PHE . . . . . 0.579 ' CZ ' ' HA ' ' A' ' 84' ' ' PHE . 87.3 m-85 -89.03 -13.86 37.77 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.755 -172.484 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 57' ' ' THR . . . . . 0.404 ' O ' ' HE2' ' A' ' 46' ' ' MET . 44.3 p -100.15 -46.88 5.16 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.304 0.574 . . . . 0.0 110.572 176.47 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -118.83 -178.4 3.54 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.339 -172.508 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 59' ' ' ILE . . . . . . . . . . . . . 4.2 mp -121.02 124.37 72.1 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-N 115.643 -0.708 . . . . 0.0 109.45 176.713 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 1.6 tmtp? 73.08 96.88 0.04 OUTLIER Pre-proline 0 N--CA 1.465 0.292 0 O-C-N 124.017 0.823 . . . . 0.0 110.222 -178.758 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 61' ' ' PRO . . . . . . . . . . . . . 16.0 Cg_exo -70.15 145.03 53.73 Favored 'Trans proline' 0 C--O 1.234 0.299 0 C-N-CA 123.074 2.516 . . . . 0.0 111.561 174.863 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 33.2 m -57.96 139.15 55.02 Favored 'General case' 0 C--O 1.237 0.447 0 CA-C-O 121.201 0.524 . . . . 0.0 111.162 179.891 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 96.0 mt -66.04 -16.56 64.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.367 -0.833 . . . . 0.0 112.279 -172.397 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -64.69 -48.64 70.39 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.522 -0.847 . . . . 0.0 111.333 174.443 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -64.05 -40.38 96.15 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 109.755 -0.461 . . . . 0.0 109.755 176.759 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 66' ' ' ILE . . . . . 0.457 ' O ' ' HB3' ' B' ' 69' ' ' TRP . 48.8 mm -63.05 -35.47 71.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 115.736 -0.665 . . . . 0.0 110.919 178.432 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 67' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 -64.54 -41.17 96.52 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.477 179.728 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 68' ' ' ARG . . . . . . . . . . . . . 27.5 ttm180 -81.52 -24.17 36.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.124 0.488 . . . . 0.0 109.93 179.599 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 69' ' ' TRP . . . . . 0.534 ' CD1' HD12 ' A' ' 95' ' ' ILE . 38.5 t90 -56.99 -50.64 72.09 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.37 -0.832 . . . . 0.0 110.372 175.24 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . -74.95 -1.51 62.88 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.93 -0.652 . . . . 0.0 112.564 178.367 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 71' ' ' SER . . . . . . . . . . . . . 34.6 t -94.67 -9.84 33.63 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.05 0.452 . . . . 0.0 110.089 178.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 72' ' ' VAL . . . . . . . . . . . . . 39.9 t -75.42 139.91 18.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 115.968 -0.56 . . . . 0.0 109.685 177.619 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 73' ' ' GLY . . . . . . . . . . . . . . . -68.03 136.75 31.02 Favored Glycine 0 N--CA 1.44 -1.085 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 177.402 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 74' ' ' LYS . . . . . 0.437 ' HD3' ' HA ' ' A' ' 96' ' ' ASN . 44.4 mttp -59.56 -42.93 93.53 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 120.849 0.357 . . . . 0.0 110.384 -175.861 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 75' ' ' LYS . . . . . . . . . . . . . 55.6 tptt -63.6 -45.29 91.05 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.592 177.259 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 76' ' ' GLU . . . . . 0.487 ' O ' HG13 ' B' ' 80' ' ' ILE . 15.9 tp10 -61.42 -45.68 93.3 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.762 -0.654 . . . . 0.0 109.998 -179.671 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 77' ' ' ALA . . . . . . . . . . . . . . . -60.29 -40.53 90.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.774 178.628 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 78' ' ' MET . . . . . 0.533 ' SD ' HD23 ' A' ' 92' ' ' LEU . 61.2 mmm -55.92 -42.56 76.29 Favored 'General case' 0 N--CA 1.462 0.175 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.592 177.402 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 79' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -73.5 -38.39 65.37 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.045 -179.125 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 80' ' ' ILE . . . . . 0.487 HG13 ' O ' ' B' ' 76' ' ' GLU . 85.7 mt -65.27 -48.51 83.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.614 178.232 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 81' ' ' ILE . . . . . . . . . . . . . 41.3 mm -63.68 -34.22 66.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.901 0.381 . . . . 0.0 110.734 179.399 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 82' ' ' LYS . . . . . . . . . . . . . 29.2 ttpp -58.78 -49.97 75.67 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.161 175.458 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 83' ' ' LYS . . . . . . . . . . . . . 13.9 tmtt? -67.18 -36.17 81.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.784 -0.644 . . . . 0.0 109.686 178.548 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 84' ' ' PHE . . . . . 0.559 ' HA ' ' CZ ' ' A' ' 56' ' ' PHE . 1.4 t80 -59.28 -54.26 48.91 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.637 -0.711 . . . . 0.0 110.528 -179.786 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 85' ' ' LYS . . . . . 0.413 ' HZ2' ' HB1' ' A' ' 89' ' ' ALA . 99.7 mttt -58.95 -44.55 91.46 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.149 -179.456 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 86' ' ' LYS . . . . . . . . . . . . . 60.2 mtpt -66.17 -36.87 84.23 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.372 -177.506 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 87' ' ' ASP . . . . . . . . . . . . . 16.1 t0 -68.81 -39.27 80.17 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 109.543 -0.54 . . . . 0.0 109.543 179.251 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 88' ' ' LEU . . . . . 0.501 ' HG ' ' O ' ' B' ' 84' ' ' PHE . 96.1 mt -59.62 -45.93 90.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.555 -0.748 . . . . 0.0 110.028 174.913 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 89' ' ' ALA . . . . . 0.417 ' HB1' ' HZ2' ' A' ' 85' ' ' LYS . . . -61.71 -36.68 81.64 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.764 -0.653 . . . . 0.0 111.284 -179.488 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 90' ' ' ALA . . . . . 0.563 ' O ' HG13 ' B' ' 94' ' ' ILE . . . -67.42 -50.25 60.21 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.608 178.935 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 91' ' ' MET . . . . . . . . . . . . . 74.1 mtm -66.05 -34.11 77.34 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.812 179.382 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 92' ' ' LEU . . . . . 0.52 HD23 ' SD ' ' A' ' 78' ' ' MET . 51.3 tp -56.48 -45.31 81.0 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.547 0.689 . . . . 0.0 110.304 173.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 93' ' ' ARG . . . . . . . . . . . . . 67.6 ttt180 -64.63 -33.06 75.05 Favored 'General case' 0 N--CA 1.439 -1.016 0 CA-C-N 115.482 -0.781 . . . . 0.0 110.665 178.664 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 94' ' ' ILE . . . . . 0.563 HG13 ' O ' ' B' ' 90' ' ' ALA . 19.4 mt -70.47 -28.64 35.65 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 C-N-CA 120.853 -0.339 . . . . 0.0 110.306 177.878 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 95' ' ' ILE . . . . . 0.554 HD12 ' NE1' ' A' ' 69' ' ' TRP . 29.6 mm -57.5 -48.0 83.86 Favored 'Isoleucine or valine' 0 C--O 1.233 0.217 0 N-CA-C 109.034 -0.728 . . . . 0.0 109.034 171.159 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 96' ' ' ASN . . . . . 0.434 ' HA ' ' HD3' ' A' ' 74' ' ' LYS . 50.7 t30 -66.5 -35.38 80.11 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.042 -0.981 . . . . 0.0 110.376 177.331 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 97' ' ' ALA . . . . . 0.401 ' HB3' ' HA ' ' B' ' 94' ' ' ILE . . . -71.22 -7.73 48.84 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.594 -0.73 . . . . 0.0 112.1 -178.762 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 98' ' ' ARG . . . . . 0.412 ' HG2' ' O ' ' B' ' 94' ' ' ILE . 5.2 mmp_? . . . . . 0 C--N 1.33 -0.267 0 CA-C-O 120.869 0.366 . . . . 0.0 110.594 178.616 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.441 -0.975 0 N-CA-C 111.078 -0.809 . . . . 0.0 111.078 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.504 ' HD2' ' SD ' ' A' ' 46' ' ' MET . 31.6 Cg_exo -60.37 161.66 19.61 Favored 'Trans proline' 0 C--N 1.343 0.281 0 C-N-CA 122.816 2.344 . . . . 0.0 111.52 178.449 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 11.2 pt -55.59 -26.38 19.62 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.337 0 N-CA-C 113.44 0.904 . . . . 0.0 113.44 -169.232 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . 0.446 HH11 HD13 ' A' ' 80' ' ' ILE . 3.4 mpt_? -61.86 -50.17 73.3 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-O 121.59 0.709 . . . . 0.0 109.48 172.785 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' MET . . . . . 0.504 ' SD ' ' HD2' ' A' ' 43' ' ' PRO . 80.4 mtp -70.74 -29.28 65.48 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 114.963 -1.017 . . . . 0.0 111.007 -179.249 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 98.2 t -62.35 -46.15 97.1 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.156 0 CA-C-O 120.775 0.322 . . . . 0.0 110.461 178.912 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 80.5 mt -68.87 -35.19 76.6 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.822 177.689 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -65.93 -48.82 70.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.436 179.08 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.401 ' O ' ' HB3' ' A' ' 53' ' ' PHE . 15.0 tt -71.4 -25.33 24.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.878 0.37 . . . . 0.0 110.3 -179.577 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.548 HD23 ' SD ' ' B' ' 91' ' ' MET . 11.9 tp -62.36 -55.81 24.38 Favored 'General case' 0 N--CA 1.451 -0.413 0 N-CA-C 109.652 -0.499 . . . . 0.0 109.652 176.133 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -57.44 -37.78 73.38 Favored 'General case' 0 CA--C 1.52 -0.196 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.585 178.174 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . 0.401 ' HB3' ' O ' ' A' ' 50' ' ' ILE . 91.7 t80 -54.03 -56.11 21.05 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.609 -0.723 . . . . 0.0 109.72 173.82 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 81.1 mt -69.7 -10.05 56.78 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.989 -178.762 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.541 ' HG2' ' O ' ' A' ' 51' ' ' LEU . 27.7 mmm180 -85.34 -37.4 19.96 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.949 0.404 . . . . 0.0 111.044 177.407 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . 0.444 ' CZ ' ' HA ' ' B' ' 84' ' ' PHE . 66.4 m-85 -106.96 -10.92 15.82 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.277 -0.42 . . . . 0.0 112.042 -175.595 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 27.3 p -108.68 -1.57 19.35 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.201 0.524 . . . . 0.0 110.695 175.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -156.6 177.54 11.36 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.846 -0.615 . . . . 0.0 109.82 -177.164 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.505 HG22 ' O ' ' A' ' 59' ' ' ILE . 3.3 mp -122.12 38.86 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-O 122.257 1.027 . . . . 0.0 110.087 179.435 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 54.3 tttp 173.79 118.72 0.09 OUTLIER Pre-proline 0 C--N 1.319 -0.761 0 CA-C-N 114.304 -1.317 . . . . 0.0 110.427 177.114 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 3.0 Cg_exo -76.82 135.3 15.7 Favored 'Trans proline' 0 N--CA 1.457 -0.639 0 C-N-CA 122.34 2.027 . . . . 0.0 110.689 169.212 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' SER . . . . . 0.403 ' HB2' HD21 ' A' ' 65' ' ' LEU . 14.7 m -60.93 142.26 56.54 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.217 0.532 . . . . 0.0 110.659 -179.382 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 87.4 mt -58.24 -30.37 66.49 Favored 'General case' 0 C--O 1.224 -0.289 0 CA-C-N 115.069 -0.969 . . . . 0.0 112.773 -170.581 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -58.11 -44.76 94.6 Favored Glycine 0 C--O 1.239 0.435 0 C-N-CA 120.295 -0.955 . . . . 0.0 111.428 177.555 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.403 HD21 ' HB2' ' A' ' 62' ' ' SER . 2.9 mm? -66.76 -40.5 88.27 Favored 'General case' 0 C--O 1.219 -0.506 0 N-CA-C 109.76 -0.459 . . . . 0.0 109.76 177.395 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.422 ' O ' ' HB3' ' A' ' 69' ' ' TRP . 41.6 mm -62.0 -42.89 96.58 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.349 0 CA-C-O 121.122 0.487 . . . . 0.0 111.247 179.44 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 7.2 m120 -61.61 -39.4 91.1 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.894 -0.593 . . . . 0.0 111.401 179.579 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 55.8 ttt180 -83.9 -23.77 31.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.292 0.568 . . . . 0.0 110.254 179.456 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' TRP . . . . . 0.506 ' NE1' HD13 ' B' ' 95' ' ' ILE . 36.3 t90 -58.57 -46.98 85.75 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.282 -0.872 . . . . 0.0 110.582 176.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -68.86 -11.9 63.89 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.842 -0.694 . . . . 0.0 112.598 178.132 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 23.7 t -86.64 -19.34 29.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.748 0.308 . . . . 0.0 110.321 179.101 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 28.3 t -66.42 135.34 28.64 Favored 'Isoleucine or valine' 0 C--O 1.235 0.325 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 173.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -80.55 151.96 33.23 Favored Glycine 0 N--CA 1.447 -0.632 0 C-N-CA 120.511 -0.852 . . . . 0.0 111.731 179.419 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . 0.546 ' O ' ' HG3' ' A' ' 78' ' ' MET . 0.0 OUTLIER -62.94 -44.96 94.64 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.732 0.266 . . . . 0.0 111.145 -177.508 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 57.8 tptt -60.38 -48.05 83.43 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.133 0.492 . . . . 0.0 110.125 179.625 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . 0.41 ' O ' HG13 ' A' ' 80' ' ' ILE . 9.7 tp10 -59.01 -50.32 74.55 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.221 -0.899 . . . . 0.0 110.416 178.272 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . 0.515 ' O ' HG12 ' A' ' 81' ' ' ILE . . . -58.84 -41.82 87.83 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.911 -179.733 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' MET . . . . . 0.546 ' HG3' ' O ' ' A' ' 74' ' ' LYS . 65.9 mtt -54.06 -49.35 69.19 Favored 'General case' 0 CA--C 1.518 -0.259 0 O-C-N 123.08 0.237 . . . . 0.0 110.688 178.223 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . 0.414 ' O ' ' HG2' ' A' ' 83' ' ' LYS . 47.2 mt-10 -65.09 -41.9 94.57 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.896 -177.916 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . 0.446 HD13 HH11 ' A' ' 45' ' ' ARG . 75.6 mt -62.94 -46.49 96.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.498 177.746 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . 0.515 HG12 ' O ' ' A' ' 77' ' ' ALA . 37.9 mm -62.64 -37.13 78.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.105 -179.495 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . 0.536 ' HG3' ' O ' ' A' ' 78' ' ' MET . 68.6 mttm -61.64 -43.49 98.75 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.882 0.372 . . . . 0.0 110.581 176.85 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . 0.414 ' HG2' ' O ' ' A' ' 79' ' ' GLU . 75.3 mmtt -70.58 -33.11 70.72 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.18 178.619 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . 0.51 ' O ' ' HG ' ' A' ' 88' ' ' LEU . 1.7 t80 -65.38 -51.86 57.52 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.516 -0.765 . . . . 0.0 109.962 178.803 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -59.89 -35.46 74.88 Favored 'General case' 0 C--O 1.233 0.19 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.558 177.921 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 61.7 tttp -63.38 -46.79 84.85 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.726 -0.67 . . . . 0.0 111.087 178.577 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -67.81 -34.35 76.58 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 109.816 -0.439 . . . . 0.0 109.816 -178.641 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.51 ' HG ' ' O ' ' A' ' 84' ' ' PHE . 91.5 mt -62.05 -44.04 97.55 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 115.784 -0.643 . . . . 0.0 110.317 175.127 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -64.2 -37.5 87.69 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.684 178.503 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . 0.656 ' O ' HG13 ' A' ' 94' ' ' ILE . . . -68.3 -51.47 44.47 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.92 178.864 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' MET . . . . . 0.576 ' O ' HG12 ' A' ' 95' ' ' ILE . 23.4 ptp -60.85 -38.0 84.0 Favored 'General case' 0 N--CA 1.462 0.169 0 CA-C-O 120.465 0.174 . . . . 0.0 110.619 -178.781 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 17.7 tp -60.42 -46.52 89.71 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-O 121.503 0.668 . . . . 0.0 110.47 175.247 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . 0.432 ' C ' ' HD3' ' A' ' 93' ' ' ARG . 3.6 tmt_? -57.89 -37.57 74.22 Favored 'General case' 0 N--CA 1.444 -0.764 0 CA-C-N 115.287 -0.869 . . . . 0.0 110.198 177.841 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . 0.656 HG13 ' O ' ' A' ' 90' ' ' ALA . 17.1 mt -76.02 -25.96 17.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.729 179.071 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . 0.576 HG12 ' O ' ' A' ' 91' ' ' MET . 29.8 mm -56.97 -42.36 78.83 Favored 'Isoleucine or valine' 0 C--O 1.237 0.423 0 N-CA-C 109.341 -0.615 . . . . 0.0 109.341 172.369 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 35.2 t30 -64.42 -43.26 94.93 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.313 -0.858 . . . . 0.0 110.153 174.626 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -66.95 -20.84 65.96 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.313 179.151 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 22.6 mmm180 . . . . . 0 C--N 1.328 -0.345 0 CA-C-O 121.305 0.574 . . . . 0.0 109.975 174.87 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' B' B ' 42' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.442 -0.952 0 N-CA-C 111.077 -0.809 . . . . 0.0 111.077 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' B' B ' 43' ' ' PRO . . . . . 0.511 ' HD2' ' SD ' ' B' ' 46' ' ' MET . 31.6 Cg_exo -60.22 161.45 19.7 Favored 'Trans proline' 0 C--N 1.345 0.344 0 C-N-CA 122.852 2.368 . . . . 0.0 111.662 178.277 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 11.4 pt -55.69 -26.14 19.54 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.268 0 N-CA-C 113.398 0.888 . . . . 0.0 113.398 -169.178 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 45' ' ' ARG . . . . . 0.445 HH11 HD13 ' B' ' 80' ' ' ILE . 3.4 mpt_? -61.94 -50.3 72.71 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-O 121.478 0.656 . . . . 0.0 109.523 172.575 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 46' ' ' MET . . . . . 0.511 ' SD ' ' HD2' ' B' ' 43' ' ' PRO . 80.6 mtp -70.6 -29.32 65.7 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.008 -0.997 . . . . 0.0 110.994 -179.368 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 47' ' ' VAL . . . . . . . . . . . . . 97.5 t -62.44 -46.1 97.22 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.117 0 CA-C-O 120.755 0.312 . . . . 0.0 110.46 179.018 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 80.0 mt -68.94 -35.14 76.45 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.778 177.742 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -65.91 -48.85 70.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.391 179.109 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 50' ' ' ILE . . . . . 0.402 ' O ' ' HB3' ' B' ' 53' ' ' PHE . 15.1 tt -71.34 -25.23 24.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 120.865 0.364 . . . . 0.0 110.409 -179.683 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 51' ' ' LEU . . . . . 0.549 HD23 ' SD ' ' A' ' 91' ' ' MET . 11.9 tp -62.41 -55.81 24.23 Favored 'General case' 0 N--CA 1.452 -0.372 0 N-CA-C 109.628 -0.508 . . . . 0.0 109.628 176.113 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -57.42 -37.78 73.33 Favored 'General case' 0 C--O 1.233 0.205 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.579 178.155 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 53' ' ' PHE . . . . . 0.402 ' HB3' ' O ' ' B' ' 50' ' ' ILE . 91.5 t80 -54.08 -55.96 22.56 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.62 -0.718 . . . . 0.0 109.726 173.819 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 54' ' ' LEU . . . . . . . . . . . . . 81.1 mt -69.98 -9.76 56.29 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.852 -178.707 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 55' ' ' ARG . . . . . 0.539 ' HG2' ' O ' ' B' ' 51' ' ' LEU . 27.7 mmm180 -85.73 -36.9 19.89 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.741 0.305 . . . . 0.0 111.162 177.361 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 56' ' ' PHE . . . . . 0.444 ' CZ ' ' HA ' ' A' ' 84' ' ' PHE . 66.5 m-85 -107.31 -11.12 15.63 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.349 -0.387 . . . . 0.0 112.041 -175.821 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 57' ' ' THR . . . . . 0.416 ' HA ' ' HG2' ' A' ' 46' ' ' MET . 27.2 p -108.3 -1.95 19.65 Favored 'General case' 0 C--N 1.325 -0.462 0 C-N-CA 120.456 -0.498 . . . . 0.0 110.591 176.041 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -156.38 177.61 11.26 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.909 -0.587 . . . . 0.0 109.844 -177.088 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 59' ' ' ILE . . . . . 0.474 ' O ' HG22 ' B' ' 59' ' ' ILE . 3.2 mp -122.56 39.66 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-O 122.076 0.941 . . . . 0.0 109.987 179.498 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 54.4 tttp 173.45 118.98 0.09 OUTLIER Pre-proline 0 C--N 1.319 -0.73 0 CA-C-N 114.348 -1.297 . . . . 0.0 110.266 176.448 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 61' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_exo -76.76 135.42 15.93 Favored 'Trans proline' 0 N--CA 1.457 -0.644 0 C-N-CA 122.348 2.032 . . . . 0.0 110.672 168.757 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 14.6 m -61.01 142.05 56.9 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.217 0.532 . . . . 0.0 110.651 -179.529 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 87.5 mt -58.08 -30.5 66.27 Favored 'General case' 0 CA--C 1.517 -0.302 0 CA-C-N 115.119 -0.946 . . . . 0.0 112.69 -170.625 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -57.74 -45.13 93.76 Favored Glycine 0 C--O 1.238 0.388 0 C-N-CA 120.216 -0.992 . . . . 0.0 111.654 177.175 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -66.59 -40.62 88.98 Favored 'General case' 0 C--O 1.219 -0.525 0 N-CA-C 109.73 -0.47 . . . . 0.0 109.73 177.446 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 66' ' ' ILE . . . . . 0.416 ' O ' ' HB3' ' B' ' 69' ' ' TRP . 41.6 mm -61.83 -42.87 96.21 Favored 'Isoleucine or valine' 0 C--O 1.234 0.27 0 CA-C-O 121.11 0.481 . . . . 0.0 111.201 179.421 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 67' ' ' ASN . . . . . . . . . . . . . 7.3 m120 -61.72 -39.01 90.0 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.487 179.495 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 68' ' ' ARG . . . . . . . . . . . . . 55.5 ttt180 -84.27 -23.67 30.25 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.357 0.599 . . . . 0.0 110.277 179.257 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 69' ' ' TRP . . . . . 0.483 ' NE1' HD13 ' A' ' 95' ' ' ILE . 36.3 t90 -58.53 -46.9 85.83 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.258 -0.883 . . . . 0.0 110.6 177.1 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . -69.48 -11.26 64.74 Favored Glycine 0 N--CA 1.45 -0.417 0 C-N-CA 120.94 -0.648 . . . . 0.0 112.587 178.208 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 71' ' ' SER . . . . . . . . . . . . . 24.8 t -86.63 -20.03 28.44 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 110.143 -0.318 . . . . 0.0 110.143 178.619 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 72' ' ' VAL . . . . . . . . . . . . . 27.9 t -65.94 135.42 28.43 Favored 'Isoleucine or valine' 0 C--O 1.236 0.354 0 N-CA-C 109.26 -0.644 . . . . 0.0 109.26 174.231 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 73' ' ' GLY . . . . . . . . . . . . . . . -80.56 151.84 33.05 Favored Glycine 0 N--CA 1.445 -0.71 0 C-N-CA 120.593 -0.813 . . . . 0.0 111.726 179.39 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 74' ' ' LYS . . . . . 0.535 ' O ' ' HG3' ' B' ' 78' ' ' MET . 0.0 OUTLIER -63.17 -44.87 94.22 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.657 0.228 . . . . 0.0 111.077 -177.441 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' B' B ' 75' ' ' LYS . . . . . . . . . . . . . 57.7 tptt -60.49 -47.59 85.47 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.166 0.508 . . . . 0.0 110.161 179.59 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 76' ' ' GLU . . . . . 0.401 ' O ' HG13 ' B' ' 80' ' ' ILE . 9.8 tp10 -59.59 -50.06 75.35 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.201 -0.909 . . . . 0.0 110.443 178.345 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 77' ' ' ALA . . . . . 0.516 ' O ' HG12 ' B' ' 81' ' ' ILE . . . -58.95 -41.75 88.16 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.954 -179.849 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 78' ' ' MET . . . . . 0.54 ' O ' ' HG3' ' B' ' 82' ' ' LYS . 65.7 mtt -54.14 -49.25 69.65 Favored 'General case' 0 CA--C 1.518 -0.269 0 CA-C-O 120.725 0.298 . . . . 0.0 110.681 178.259 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 79' ' ' GLU . . . . . 0.419 ' O ' ' HG2' ' B' ' 83' ' ' LYS . 47.9 mt-10 -65.2 -41.89 94.08 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.908 -177.902 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 80' ' ' ILE . . . . . 0.445 HD13 HH11 ' B' ' 45' ' ' ARG . 75.8 mt -62.97 -46.53 96.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.402 177.638 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 81' ' ' ILE . . . . . 0.516 HG12 ' O ' ' B' ' 77' ' ' ALA . 38.6 mm -62.58 -36.87 77.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.253 -179.549 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 82' ' ' LYS . . . . . 0.54 ' HG3' ' O ' ' B' ' 78' ' ' MET . 68.6 mttm -61.86 -43.46 98.8 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.874 0.368 . . . . 0.0 110.533 176.819 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 83' ' ' LYS . . . . . 0.419 ' HG2' ' O ' ' B' ' 79' ' ' GLU . 75.3 mmtt -70.66 -33.24 70.74 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.139 0.495 . . . . 0.0 110.045 178.714 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 84' ' ' PHE . . . . . 0.518 ' O ' ' HG ' ' B' ' 88' ' ' LEU . 1.7 t80 -65.2 -51.76 58.98 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.536 -0.756 . . . . 0.0 110.067 178.885 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 85' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -59.77 -35.56 74.88 Favored 'General case' 0 C--O 1.232 0.176 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.544 177.821 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 86' ' ' LYS . . . . . . . . . . . . . 61.2 tttp -63.32 -47.42 82.3 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.914 178.771 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 87' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -67.22 -33.99 76.53 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.284 -0.416 . . . . 0.0 109.992 -178.607 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 88' ' ' LEU . . . . . 0.518 ' HG ' ' O ' ' B' ' 84' ' ' PHE . 91.9 mt -62.4 -44.1 97.24 Favored 'General case' 0 C--N 1.333 -0.127 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.214 175.107 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -64.38 -37.27 86.93 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.625 178.619 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 90' ' ' ALA . . . . . 0.674 ' O ' HG13 ' B' ' 94' ' ' ILE . . . -68.54 -50.89 48.49 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.805 -0.634 . . . . 0.0 111.006 178.752 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 91' ' ' MET . . . . . 0.573 ' O ' HG12 ' B' ' 95' ' ' ILE . 23.3 ptp -61.49 -37.92 85.42 Favored 'General case' 0 N--CA 1.462 0.168 0 C-N-CA 121.24 -0.184 . . . . 0.0 110.54 -178.665 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 92' ' ' LEU . . . . . . . . . . . . . 17.5 tp -60.27 -46.53 89.52 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-O 121.409 0.623 . . . . 0.0 110.432 175.186 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 93' ' ' ARG . . . . . 0.45 ' HD3' ' O ' ' B' ' 93' ' ' ARG . 3.6 tmt_? -57.93 -37.49 74.17 Favored 'General case' 0 N--CA 1.444 -0.742 0 CA-C-N 115.315 -0.857 . . . . 0.0 110.164 177.889 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 94' ' ' ILE . . . . . 0.674 HG13 ' O ' ' B' ' 90' ' ' ALA . 17.5 mt -76.0 -26.17 17.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.697 179.054 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 95' ' ' ILE . . . . . 0.573 HG12 ' O ' ' B' ' 91' ' ' MET . 29.7 mm -56.81 -42.55 77.98 Favored 'Isoleucine or valine' 0 C--O 1.237 0.419 0 CA-C-O 121.429 0.633 . . . . 0.0 109.35 172.542 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 96' ' ' ASN . . . . . . . . . . . . . 34.2 t30 -64.37 -43.21 95.24 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.186 -0.915 . . . . 0.0 110.138 174.746 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 97' ' ' ALA . . . . . . . . . . . . . . . -67.19 -20.34 65.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.318 179.037 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 98' ' ' ARG . . . . . . . . . . . . . 22.7 mmm180 . . . . . 0 C--N 1.327 -0.4 0 CA-C-O 121.216 0.531 . . . . 0.0 110.006 174.794 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.446 -0.647 0 N-CA-C 112.325 -0.31 . . . . 0.0 112.325 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.666 ' HD2' ' SD ' ' A' ' 46' ' ' MET . 39.3 Cg_endo -67.79 170.25 14.44 Favored 'Trans proline' 0 C--O 1.232 0.218 0 C-N-CA 122.693 2.262 . . . . 0.0 112.108 176.553 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 24.4 pt -52.02 -40.79 30.13 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.358 0 N-CA-C 113.047 0.758 . . . . 0.0 113.047 -171.708 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 17.6 ptt180 -59.76 -46.68 88.41 Favored 'General case' 0 C--O 1.232 0.173 0 CA-C-O 121.163 0.506 . . . . 0.0 110.962 178.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' MET . . . . . 0.666 ' SD ' ' HD2' ' A' ' 43' ' ' PRO . 59.3 mtt -65.1 -32.46 74.17 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.621 -0.718 . . . . 0.0 111.222 178.62 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.441 HG22 ' O ' ' A' ' 43' ' ' PRO . 97.6 t -58.05 -48.75 83.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.721 0.296 . . . . 0.0 110.533 177.897 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 86.6 mt -63.52 -37.12 86.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.788 178.395 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -65.97 -47.55 74.21 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.251 178.127 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.533 HG13 ' O ' ' A' ' 46' ' ' MET . 70.0 mt -64.74 -31.58 54.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.337 179.342 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.458 HD22 ' NE1' ' A' ' 69' ' ' TRP . 13.2 tp -60.87 -55.75 29.37 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.179 176.867 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -58.17 -40.35 81.23 Favored 'General case' 0 CA--C 1.52 -0.188 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.318 178.272 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 91.6 t80 -54.1 -57.07 12.48 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.42 -0.809 . . . . 0.0 109.919 174.325 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 96.8 mt -70.36 -5.21 26.53 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 112.101 0.408 . . . . 0.0 112.101 -177.913 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.41 ' HG2' ' O ' ' A' ' 51' ' ' LEU . 32.8 mmt180 -89.87 -46.48 8.53 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.955 0.407 . . . . 0.0 111.265 174.241 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 76.8 m-85 -93.29 -14.19 27.28 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.685 -175.646 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' THR . . . . . 0.523 ' HA ' ' HG2' ' B' ' 46' ' ' MET . 17.0 p -112.36 -12.66 13.52 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 120.515 -0.474 . . . . 0.0 111.469 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -139.32 164.18 30.52 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 120.936 0.398 . . . . 0.0 110.893 -174.242 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 66.5 mt -91.02 -25.88 5.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-O 121.763 0.792 . . . . 0.0 110.942 -175.852 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 85.6 tttt -145.62 121.55 5.83 Favored Pre-proline 0 C--N 1.305 -1.353 0 CA-C-N 114.786 -1.097 . . . . 0.0 110.952 -178.598 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 15.3 Cg_exo -69.9 139.32 39.47 Favored 'Trans proline' 0 C--O 1.235 0.34 0 C-N-CA 122.481 2.121 . . . . 0.0 111.363 172.864 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 29.4 t -64.81 143.34 58.01 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.148 0.499 . . . . 0.0 110.54 -179.046 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 86.0 mt -66.77 -16.35 64.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.447 -0.797 . . . . 0.0 111.889 -172.681 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -66.27 -43.6 92.55 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.584 -0.817 . . . . 0.0 111.44 174.662 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -69.3 -38.55 78.33 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 109.648 -0.501 . . . . 0.0 109.648 176.754 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 48.9 mm -62.03 -38.46 80.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.772 177.719 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 4.1 t-20 -66.27 -40.3 90.03 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.806 179.307 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 24.0 ttm180 -86.39 -10.29 54.62 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.208 0.527 . . . . 0.0 110.287 -177.191 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' TRP . . . . . 0.532 ' NE1' HD13 ' B' ' 95' ' ' ILE . 12.3 t90 -60.98 -49.42 77.51 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.316 -0.856 . . . . 0.0 110.613 -179.762 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -77.68 -6.48 86.95 Favored Glycine 0 C--N 1.329 0.188 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.131 178.15 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 32.2 t -81.75 -21.68 37.72 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 109.325 -0.62 . . . . 0.0 109.325 176.579 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 60.6 t -64.9 127.33 25.59 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.355 0 CA-C-N 115.79 -0.641 . . . . 0.0 109.372 175.318 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -63.05 121.45 24.74 Favored Glycine 0 N--CA 1.444 -0.789 0 C-N-CA 120.429 -0.891 . . . . 0.0 111.078 177.708 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . 0.555 ' O ' ' HG3' ' A' ' 78' ' ' MET . 2.0 ptpp? -58.92 -27.03 64.89 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.708 0.254 . . . . 0.0 111.382 -176.3 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . 0.513 ' HD3' ' C ' ' A' ' 75' ' ' LYS . 8.0 tmtm? -63.96 -60.65 2.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.445 0.64 . . . . 0.0 109.428 173.363 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 7.0 tp10 -53.9 -39.36 65.7 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 114.749 -1.114 . . . . 0.0 110.866 176.487 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . 0.51 ' O ' HG12 ' A' ' 81' ' ' ILE . . . -56.35 -44.23 79.87 Favored 'General case' 0 N--CA 1.453 -0.3 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.663 177.954 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' MET . . . . . 0.566 ' O ' ' HG3' ' A' ' 82' ' ' LYS . 62.7 mtt -58.43 -45.19 88.96 Favored 'General case' 0 CA--C 1.519 -0.238 0 N-CA-C 110.144 -0.317 . . . . 0.0 110.144 177.013 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 23.9 mm-40 -59.09 -49.39 78.07 Favored 'General case' 0 C--O 1.236 0.393 0 CA-C-O 121.429 0.633 . . . . 0.0 110.492 179.644 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 80.3 mt -63.06 -48.37 88.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 115.2 -0.909 . . . . 0.0 111.122 -179.218 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . 0.51 HG12 ' O ' ' A' ' 77' ' ' ALA . 37.1 mm -60.33 -38.08 76.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.523 -0.308 . . . . 0.0 111.282 -177.857 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . 0.566 ' HG3' ' O ' ' A' ' 78' ' ' MET . 68.5 mttm -62.54 -45.36 93.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.776 0.322 . . . . 0.0 110.737 178.078 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 74.7 mmtt -72.27 -29.85 64.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.636 179.055 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . 0.5 ' O ' ' HG ' ' A' ' 88' ' ' LEU . 0.9 OUTLIER -63.94 -52.39 60.0 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.828 -0.624 . . . . 0.0 109.693 177.759 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -61.39 -35.85 78.65 Favored 'General case' 0 C--O 1.232 0.175 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.647 177.854 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 24.1 tptm -61.77 -46.32 90.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.67 178.367 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . 0.575 ' O ' ' HG3' ' A' ' 91' ' ' MET . 6.7 t70 -70.65 -35.35 72.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.259 -178.652 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.5 ' HG ' ' O ' ' A' ' 84' ' ' PHE . 91.4 mt -60.22 -43.33 96.11 Favored 'General case' 0 N--CA 1.463 0.217 0 CA-C-O 121.092 0.472 . . . . 0.0 110.538 176.328 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -63.26 -35.86 81.73 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.683 -0.69 . . . . 0.0 110.269 177.78 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . 0.466 ' O ' HG13 ' A' ' 94' ' ' ILE . . . -69.58 -41.11 76.24 Favored 'General case' 0 N--CA 1.45 -0.429 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.414 176.404 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' MET . . . . . 0.651 ' O ' HG12 ' A' ' 95' ' ' ILE . 67.4 mtt -53.38 -56.63 15.15 Favored 'General case' 0 CA--C 1.516 -0.336 0 N-CA-C 110.012 -0.366 . . . . 0.0 110.012 177.672 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 47.4 tp -53.43 -48.07 69.07 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.347 -0.842 . . . . 0.0 111.264 179.422 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 43.1 ttt180 -57.29 -38.59 74.2 Favored 'General case' 0 N--CA 1.448 -0.562 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.919 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . 0.623 ' O ' ' HG2' ' A' ' 98' ' ' ARG . 75.7 mt -76.59 -31.92 20.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.053 179.19 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . 0.651 HG12 ' O ' ' A' ' 91' ' ' MET . 29.5 mm -58.89 -36.74 63.02 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.27 0 CA-C-O 121.252 0.548 . . . . 0.0 109.803 176.092 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 14.5 m120 -71.02 -39.7 72.22 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.532 175.407 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -59.61 -38.45 81.31 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.446 0.641 . . . . 0.0 110.355 177.255 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . 0.623 ' HG2' ' O ' ' A' ' 94' ' ' ILE . 12.7 ptm180 . . . . . 0 C--N 1.319 -0.729 0 CA-C-N 115.238 -0.892 . . . . 0.0 108.611 178.462 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 42' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.445 -0.731 0 N-CA-C 112.233 -0.347 . . . . 0.0 112.233 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' B' B ' 43' ' ' PRO . . . . . 0.657 ' HD2' ' SD ' ' B' ' 46' ' ' MET . 39.7 Cg_endo -67.73 170.13 14.6 Favored 'Trans proline' 0 C--O 1.233 0.258 0 C-N-CA 122.673 2.248 . . . . 0.0 112.032 176.614 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 23.8 pt -51.87 -40.77 28.73 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.403 0 N-CA-C 113.085 0.772 . . . . 0.0 113.085 -171.59 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 17.8 ptt180 -59.8 -46.78 88.15 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-O 121.195 0.522 . . . . 0.0 110.922 178.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 46' ' ' MET . . . . . 0.657 ' SD ' ' HD2' ' B' ' 43' ' ' PRO . 59.0 mtt -65.09 -32.36 74.03 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.629 -0.714 . . . . 0.0 111.151 178.694 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 47' ' ' VAL . . . . . 0.431 HG22 ' O ' ' B' ' 43' ' ' PRO . 97.3 t -57.99 -48.82 83.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.74 0.305 . . . . 0.0 110.554 177.91 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 86.2 mt -63.41 -37.35 86.95 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.716 178.484 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -65.77 -47.59 74.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.224 178.25 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 50' ' ' ILE . . . . . 0.538 HG13 ' O ' ' B' ' 46' ' ' MET . 69.7 mt -64.78 -31.57 54.37 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.309 179.323 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 51' ' ' LEU . . . . . 0.453 HD22 ' NE1' ' B' ' 69' ' ' TRP . 13.1 tp -60.9 -55.69 30.03 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.257 176.813 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -58.1 -40.36 80.98 Favored 'General case' 0 CA--C 1.52 -0.208 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.377 178.204 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 53' ' ' PHE . . . . . . . . . . . . . 92.0 t80 -54.08 -56.96 13.13 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.331 -0.85 . . . . 0.0 109.968 174.284 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 54' ' ' LEU . . . . . . . . . . . . . 97.2 mt -70.55 -4.99 25.77 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 112.05 0.389 . . . . 0.0 112.05 -177.913 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 55' ' ' ARG . . . . . 0.406 ' HG2' ' O ' ' B' ' 51' ' ' LEU . 33.0 mmt180 -90.12 -46.32 8.54 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.97 0.414 . . . . 0.0 111.298 174.333 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 56' ' ' PHE . . . . . . . . . . . . . 77.0 m-85 -93.32 -14.32 27.08 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.735 -175.815 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 57' ' ' THR . . . . . 0.526 ' HA ' ' HG2' ' A' ' 46' ' ' MET . 16.6 p -112.42 -12.27 13.54 Favored 'General case' 0 C--N 1.33 -0.283 0 C-N-CA 120.505 -0.478 . . . . 0.0 111.498 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -139.48 164.79 28.95 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 120.868 0.366 . . . . 0.0 110.688 -174.394 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 59' ' ' ILE . . . . . . . . . . . . . 67.1 mt -91.87 -25.41 5.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-O 121.667 0.746 . . . . 0.0 110.967 -175.782 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 85.6 tttt -145.98 121.66 5.68 Favored Pre-proline 0 C--N 1.307 -1.27 0 CA-C-N 114.717 -1.128 . . . . 0.0 110.898 -178.851 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 61' ' ' PRO . . . . . . . . . . . . . 15.1 Cg_exo -69.89 139.27 39.36 Favored 'Trans proline' 0 N--CA 1.463 -0.31 0 C-N-CA 122.607 2.205 . . . . 0.0 111.441 172.716 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 31.5 t -64.93 143.2 58.11 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.159 0.504 . . . . 0.0 110.57 -179.076 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 86.4 mt -66.46 -16.4 64.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.383 -0.826 . . . . 0.0 111.94 -172.776 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -66.37 -43.59 92.35 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.486 -0.864 . . . . 0.0 111.327 174.858 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -69.12 -38.77 79.05 Favored 'General case' 0 N--CA 1.452 -0.33 0 N-CA-C 109.659 -0.497 . . . . 0.0 109.659 176.78 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 66' ' ' ILE . . . . . . . . . . . . . 49.0 mm -61.81 -38.59 80.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.647 177.652 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 67' ' ' ASN . . . . . . . . . . . . . 4.2 t-20 -66.22 -40.18 90.13 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.037 -0.528 . . . . 0.0 110.799 179.459 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 68' ' ' ARG . . . . . . . . . . . . . 23.9 ttm180 -86.51 -10.28 54.43 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.255 0.55 . . . . 0.0 110.358 -177.179 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 69' ' ' TRP . . . . . 0.503 ' NE1' HD13 ' A' ' 95' ' ' ILE . 12.3 t90 -61.01 -49.5 77.16 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.265 -0.88 . . . . 0.0 110.573 -179.745 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . -77.31 -7.19 86.9 Favored Glycine 0 C--N 1.33 0.195 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.021 178.345 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 71' ' ' SER . . . . . . . . . . . . . 31.8 t -81.34 -21.76 38.92 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 109.37 -0.604 . . . . 0.0 109.37 176.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 72' ' ' VAL . . . . . . . . . . . . . 59.9 t -64.9 127.34 25.59 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.356 0 CA-C-N 115.842 -0.617 . . . . 0.0 109.408 175.34 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 73' ' ' GLY . . . . . . . . . . . . . . . -63.02 121.41 24.67 Favored Glycine 0 N--CA 1.446 -0.699 0 C-N-CA 120.336 -0.935 . . . . 0.0 111.024 177.831 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 74' ' ' LYS . . . . . 0.568 ' O ' ' HG3' ' B' ' 78' ' ' MET . 2.0 ptpp? -58.87 -26.84 64.61 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.624 0.212 . . . . 0.0 111.436 -176.495 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 75' ' ' LYS . . . . . 0.526 ' C ' ' HD3' ' B' ' 75' ' ' LYS . 8.0 tmtm? -64.36 -60.64 2.93 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 173.515 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 76' ' ' GLU . . . . . 0.406 ' O ' HG13 ' B' ' 80' ' ' ILE . 7.0 tp10 -53.62 -39.38 64.9 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 114.815 -1.084 . . . . 0.0 110.984 176.333 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 77' ' ' ALA . . . . . 0.498 ' O ' HG12 ' B' ' 81' ' ' ILE . . . -56.37 -44.4 80.11 Favored 'General case' 0 N--CA 1.454 -0.261 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.616 177.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 78' ' ' MET . . . . . 0.572 ' O ' ' HG3' ' B' ' 82' ' ' LYS . 62.9 mtt -58.39 -45.17 88.86 Favored 'General case' 0 CA--C 1.518 -0.251 0 N-CA-C 110.091 -0.337 . . . . 0.0 110.091 177.072 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 79' ' ' GLU . . . . . . . . . . . . . 22.9 mm-40 -58.98 -49.36 78.18 Favored 'General case' 0 C--O 1.236 0.367 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.494 179.616 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 80' ' ' ILE . . . . . 0.406 HG13 ' O ' ' B' ' 76' ' ' GLU . 80.4 mt -63.26 -48.31 88.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 115.207 -0.906 . . . . 0.0 111.049 -179.153 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 81' ' ' ILE . . . . . 0.498 HG12 ' O ' ' B' ' 77' ' ' ALA . 37.1 mm -60.26 -38.24 76.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.554 -0.294 . . . . 0.0 111.297 -177.925 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 82' ' ' LYS . . . . . 0.572 ' HG3' ' O ' ' B' ' 78' ' ' MET . 68.5 mttm -62.28 -45.94 91.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.75 0.31 . . . . 0.0 110.645 177.869 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 83' ' ' LYS . . . . . . . . . . . . . 74.7 mmtt -71.83 -29.82 64.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.339 -0.392 . . . . 0.0 110.695 179.3 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 84' ' ' PHE . . . . . 0.501 ' O ' ' HG ' ' B' ' 88' ' ' LEU . 0.9 OUTLIER -63.98 -52.56 59.07 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.899 -0.591 . . . . 0.0 109.58 177.711 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' B' B ' 85' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -61.34 -35.85 78.56 Favored 'General case' 0 C--O 1.233 0.234 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.578 178.032 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 86' ' ' LYS . . . . . . . . . . . . . 24.1 tptm -61.9 -45.81 92.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.656 178.36 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 87' ' ' ASP . . . . . 0.566 ' O ' ' HG3' ' B' ' 91' ' ' MET . 6.7 t70 -70.99 -35.38 72.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.269 -178.791 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 88' ' ' LEU . . . . . 0.501 ' HG ' ' O ' ' B' ' 84' ' ' PHE . 90.8 mt -60.31 -43.18 96.56 Favored 'General case' 0 N--CA 1.463 0.201 0 CA-C-O 121.167 0.508 . . . . 0.0 110.502 176.51 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -63.51 -35.53 80.76 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.408 177.697 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 90' ' ' ALA . . . . . 0.477 ' O ' HG13 ' B' ' 94' ' ' ILE . . . -69.71 -41.42 75.38 Favored 'General case' 0 N--CA 1.451 -0.402 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.317 176.409 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 91' ' ' MET . . . . . 0.648 ' O ' HG12 ' B' ' 95' ' ' ILE . 67.4 mtt -53.05 -56.79 13.51 Favored 'General case' 0 CA--C 1.516 -0.328 0 CA-C-N 116.295 -0.411 . . . . 0.0 109.993 177.717 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 92' ' ' LEU . . . . . . . . . . . . . 47.6 tp -53.38 -48.0 69.0 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.332 -0.849 . . . . 0.0 111.248 179.465 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 93' ' ' ARG . . . . . . . . . . . . . 43.0 ttt180 -57.63 -38.32 74.82 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.826 -179.848 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 94' ' ' ILE . . . . . 0.631 ' O ' ' HG2' ' B' ' 98' ' ' ARG . 75.8 mt -76.57 -31.96 20.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 116.002 -0.544 . . . . 0.0 111.038 179.065 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 95' ' ' ILE . . . . . 0.648 HG12 ' O ' ' B' ' 91' ' ' MET . 30.2 mm -58.86 -36.67 62.44 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.301 0 CA-C-O 121.198 0.523 . . . . 0.0 109.715 176.054 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 96' ' ' ASN . . . . . . . . . . . . . 14.7 m120 -71.46 -39.0 71.24 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.601 175.568 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 97' ' ' ALA . . . . . . . . . . . . . . . -59.94 -38.47 82.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.306 0.574 . . . . 0.0 110.413 177.014 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 98' ' ' ARG . . . . . 0.631 ' HG2' ' O ' ' B' ' 94' ' ' ILE . 12.7 ptm180 . . . . . 0 C--N 1.32 -0.682 0 N-CA-C 108.605 -0.887 . . . . 0.0 108.605 178.596 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.446 -0.688 0 N-CA-C 112.024 -0.43 . . . . 0.0 112.024 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.45 ' HD2' ' SD ' ' A' ' 46' ' ' MET . 28.5 Cg_endo -63.6 157.33 51.92 Favored 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.74 2.293 . . . . 0.0 111.605 178.027 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 10.5 pt -57.86 -27.08 29.87 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 115.114 -0.948 . . . . 0.0 113.295 -170.536 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 9.9 ptt180 -65.28 -44.93 86.43 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.146 0.498 . . . . 0.0 110.426 174.09 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' MET . . . . . 0.569 ' O ' HG13 ' A' ' 50' ' ' ILE . 64.2 mtt -66.4 -31.19 71.8 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.747 176.411 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 91.4 t -57.61 -49.61 79.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.804 0.335 . . . . 0.0 110.422 177.329 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 11.2 mp -67.36 -30.67 70.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.033 177.807 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -65.13 -48.38 73.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.803 0.335 . . . . 0.0 110.853 176.761 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.569 HG13 ' O ' ' A' ' 46' ' ' MET . 53.8 mt -66.36 -35.79 75.79 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.141 -0.481 . . . . 0.0 109.96 178.257 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 11.7 tp -59.21 -54.31 48.31 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.668 -0.696 . . . . 0.0 110.718 177.243 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . 0.428 ' O ' ' HD1' ' A' ' 56' ' ' PHE . . . -60.08 -43.6 95.39 Favored 'General case' 0 CA--C 1.518 -0.278 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.224 178.936 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . 0.428 ' HB2' ' HB2' ' B' ' 53' ' ' PHE . 36.7 t80 -48.78 -64.26 0.85 Allowed 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.497 -0.774 . . . . 0.0 110.726 175.509 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 93.2 mt -58.94 -42.4 89.72 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.598 -177.042 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 24.7 mmt180 -65.68 -49.66 67.77 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 112.204 0.446 . . . . 0.0 112.204 -178.274 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . 0.457 ' CZ ' ' HA ' ' B' ' 84' ' ' PHE . 76.5 m-85 -76.67 -7.07 54.57 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.741 0.305 . . . . 0.0 111.257 -177.696 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' THR . . . . . 0.446 ' HA ' ' HG2' ' B' ' 46' ' ' MET . 77.3 p -105.42 9.62 33.6 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.018 0.437 . . . . 0.0 110.816 174.026 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . 60.9 34.91 19.41 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-N 115.486 -0.779 . . . . 0.0 112.399 175.908 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 58.3 mt -109.94 145.0 17.05 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 N-CA-C 109.385 -0.598 . . . . 0.0 109.385 172.707 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -59.49 126.26 81.89 Favored Pre-proline 0 N--CA 1.453 -0.297 0 N-CA-C 109.218 -0.66 . . . . 0.0 109.218 174.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . 0.501 ' O ' ' HB2' ' A' ' 65' ' ' LEU . 43.0 Cg_endo -66.9 -2.61 8.08 Favored 'Trans proline' 0 CA--C 1.529 0.242 0 C-N-CA 122.808 2.339 . . . . 0.0 113.816 -173.369 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' SER . . . . . 0.481 ' O ' HG12 ' A' ' 66' ' ' ILE . 43.0 t 70.95 142.72 0.05 Allowed 'General case' 0 N--CA 1.463 0.178 0 CA-C-O 121.724 0.773 . . . . 0.0 111.451 177.655 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 87.3 mt -67.59 -18.21 64.91 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.331 -0.849 . . . . 0.0 110.955 -178.682 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -70.0 -48.68 38.9 Favored Glycine 0 N--CA 1.449 -0.446 0 C-N-CA 120.865 -0.683 . . . . 0.0 111.884 177.092 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.501 ' HB2' ' O ' ' A' ' 61' ' ' PRO . 4.2 mm? -65.76 -37.83 87.4 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 110.053 -0.351 . . . . 0.0 110.053 177.904 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.481 HG12 ' O ' ' A' ' 62' ' ' SER . 50.0 mm -64.95 -33.96 67.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.616 177.647 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 10.7 t30 -65.17 -39.64 93.21 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.756 178.255 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . 0.468 ' O ' HG22 ' A' ' 72' ' ' VAL . 54.1 mtt180 -82.51 -22.71 34.95 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.503 178.186 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' TRP . . . . . 0.521 ' NE1' HD13 ' B' ' 95' ' ' ILE . 10.5 t90 -56.43 -52.07 66.04 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.468 -0.787 . . . . 0.0 111.105 -178.446 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -76.53 -10.88 85.59 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.858 -0.687 . . . . 0.0 112.475 177.64 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 43.0 t -82.75 -22.17 34.44 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.739 0.304 . . . . 0.0 110.251 179.017 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.468 HG22 ' O ' ' A' ' 68' ' ' ARG . 48.6 t -61.71 136.42 25.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.063 177.783 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -57.42 130.83 51.57 Favored Glycine 0 N--CA 1.443 -0.849 0 N-CA-C 110.591 -1.003 . . . . 0.0 110.591 174.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . 0.416 ' HD2' ' O ' ' B' ' 95' ' ' ILE . 30.6 mmtm -66.82 -28.23 68.2 Favored 'General case' 0 C--N 1.319 -0.724 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 -173.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 58.2 tptt -73.34 -47.92 38.53 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.15 -0.932 . . . . 0.0 109.977 172.912 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . 0.472 ' O ' HG13 ' A' ' 80' ' ' ILE . 19.1 tp10 -59.84 -41.35 91.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.353 -0.839 . . . . 0.0 110.588 -179.198 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -56.51 -42.23 78.03 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.782 179.233 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 66.1 mtt -62.8 -39.6 94.77 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.181 178.615 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 -68.92 -40.58 78.98 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.695 179.074 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . 0.472 HG13 ' O ' ' A' ' 76' ' ' GLU . 87.8 mt -62.07 -47.68 92.02 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.504 177.61 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . 0.451 HG13 ' HB2' ' B' ' 92' ' ' LEU . 43.9 mm -64.09 -38.53 82.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.178 -179.555 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . 0.418 ' HD2' ' C ' ' A' ' 82' ' ' LYS . 2.6 tmmm? -61.18 -49.49 76.96 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 109.44 -0.578 . . . . 0.0 109.44 177.135 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -64.42 -36.87 85.58 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.46 -0.791 . . . . 0.0 110.586 179.626 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . 0.53 ' O ' ' HG ' ' A' ' 88' ' ' LEU . 1.6 t80 -60.53 -53.01 62.68 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.045 178.563 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . 0.431 ' HZ2' ' HB1' ' B' ' 89' ' ' ALA . 98.4 mttt -61.24 -37.34 82.73 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.053 179.717 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 26.6 tttm -57.45 -57.47 12.51 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.896 178.343 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . 0.574 ' O ' ' HG2' ' A' ' 91' ' ' MET . 0.6 OUTLIER -66.78 -30.11 70.23 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.854 -0.612 . . . . 0.0 111.289 -177.565 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.53 ' HG ' ' O ' ' A' ' 84' ' ' PHE . 62.4 mt -60.93 -43.32 98.81 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.817 0.342 . . . . 0.0 110.339 174.95 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . 0.428 ' HB1' ' HZ2' ' B' ' 85' ' ' LYS . . . -63.47 -37.2 86.38 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.657 179.243 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . 0.547 ' O ' HG13 ' A' ' 94' ' ' ILE . . . -65.89 -49.97 66.18 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.751 177.825 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' MET . . . . . 0.574 ' HG2' ' O ' ' A' ' 87' ' ' ASP . 93.8 mmm -60.82 -37.95 83.74 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.356 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.428 ' HB2' HG13 ' B' ' 81' ' ' ILE . 54.6 tp -59.81 -45.46 92.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.684 -0.689 . . . . 0.0 111.089 177.523 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 72.3 ttt180 -64.59 -30.28 71.3 Favored 'General case' 0 N--CA 1.443 -0.779 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.555 -178.338 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . 0.547 HG13 ' O ' ' A' ' 90' ' ' ALA . 22.1 mt -71.18 -35.47 58.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 C-N-CA 121.01 -0.276 . . . . 0.0 110.445 176.345 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . 0.536 HD13 ' NE1' ' B' ' 69' ' ' TRP . 13.4 mm -53.88 -48.55 62.51 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.343 0 CA-C-O 121.508 0.67 . . . . 0.0 109.335 173.589 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 3.9 t-20 -74.36 -23.26 58.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.317 -0.856 . . . . 0.0 111.211 -177.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -66.72 -38.15 86.14 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.319 0.581 . . . . 0.0 109.898 175.184 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . 0.513 ' HG2' ' O ' ' A' ' 94' ' ' ILE . 15.0 ptm180 . . . . . 0 C--N 1.324 -0.527 0 CA-C-N 115.378 -0.828 . . . . 0.0 109.435 177.662 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 42' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.446 -0.697 0 N-CA-C 112.042 -0.423 . . . . 0.0 112.042 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' B' B ' 43' ' ' PRO . . . . . 0.441 ' HD2' ' SD ' ' B' ' 46' ' ' MET . 28.5 Cg_endo -63.38 157.25 51.47 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.779 2.319 . . . . 0.0 111.681 177.83 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 10.5 pt -57.91 -27.15 30.22 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 115.083 -0.962 . . . . 0.0 113.178 -170.502 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 9.9 ptt180 -65.34 -44.84 86.45 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.121 0.486 . . . . 0.0 110.423 174.142 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 46' ' ' MET . . . . . 0.549 ' O ' HG13 ' B' ' 50' ' ' ILE . 64.4 mtt -66.36 -31.18 71.8 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.75 176.372 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 47' ' ' VAL . . . . . . . . . . . . . 93.2 t -57.67 -49.66 79.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.692 0.282 . . . . 0.0 110.421 177.443 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 11.2 mp -67.25 -30.75 70.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.067 177.791 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -65.17 -48.33 73.88 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.529 -0.305 . . . . 0.0 110.821 176.848 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 50' ' ' ILE . . . . . 0.549 HG13 ' O ' ' B' ' 46' ' ' MET . 53.9 mt -66.23 -35.9 76.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-O 121.104 0.478 . . . . 0.0 110.037 178.099 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 11.7 tp -59.15 -54.38 47.57 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.724 177.208 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 52' ' ' ALA . . . . . 0.422 ' O ' ' HD1' ' B' ' 56' ' ' PHE . . . -60.06 -43.58 95.31 Favored 'General case' 0 CA--C 1.518 -0.28 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.26 178.93 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 53' ' ' PHE . . . . . 0.428 ' HB2' ' HB2' ' A' ' 53' ' ' PHE . 36.6 t80 -48.79 -64.39 0.82 Allowed 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.39 -0.823 . . . . 0.0 110.692 175.57 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 54' ' ' LEU . . . . . . . . . . . . . 93.5 mt -58.77 -42.51 89.15 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.565 -177.106 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 55' ' ' ARG . . . . . 0.405 ' HD3' ' HA ' ' B' ' 55' ' ' ARG . 24.8 mmt180 -65.7 -49.08 69.84 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 112.395 0.516 . . . . 0.0 112.395 -178.169 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 56' ' ' PHE . . . . . 0.422 ' HD1' ' O ' ' B' ' 52' ' ' ALA . 76.3 m-85 -77.17 -6.84 54.49 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.778 0.323 . . . . 0.0 111.305 -177.939 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 57' ' ' THR . . . . . 0.433 ' HA ' ' HG2' ' A' ' 46' ' ' MET . 77.9 p -105.86 9.76 32.72 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.05 0.452 . . . . 0.0 110.88 174.033 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . 61.06 34.85 19.03 Favored 'General case' 0 C--O 1.236 0.367 0 CA-C-N 115.414 -0.812 . . . . 0.0 112.403 175.776 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 59' ' ' ILE . . . . . . . . . . . . . 57.4 mt -110.24 144.39 18.43 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 N-CA-C 109.543 -0.54 . . . . 0.0 109.543 172.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -59.3 126.09 80.91 Favored Pre-proline 0 C--N 1.33 -0.278 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 175.257 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 61' ' ' PRO . . . . . 0.507 ' O ' ' HB2' ' B' ' 65' ' ' LEU . 42.4 Cg_endo -66.83 -2.62 8.02 Favored 'Trans proline' 0 CA--C 1.529 0.246 0 C-N-CA 122.854 2.369 . . . . 0.0 113.857 -173.036 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 62' ' ' SER . . . . . 0.458 ' O ' HG12 ' B' ' 66' ' ' ILE . 44.7 t 71.19 142.09 0.05 Allowed 'General case' 0 N--CA 1.463 0.212 0 CA-C-O 121.658 0.742 . . . . 0.0 111.4 177.368 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 87.2 mt -67.23 -17.89 65.0 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.488 -0.778 . . . . 0.0 111.034 -178.778 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -70.12 -48.76 37.54 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.822 -0.704 . . . . 0.0 111.772 176.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 65' ' ' LEU . . . . . 0.507 ' HB2' ' O ' ' B' ' 61' ' ' PRO . 4.2 mm? -65.71 -37.95 87.85 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 110.081 -0.34 . . . . 0.0 110.081 177.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 66' ' ' ILE . . . . . 0.458 HG12 ' O ' ' B' ' 62' ' ' SER . 50.0 mm -64.84 -33.96 67.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-O 121.169 0.509 . . . . 0.0 110.757 177.602 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 67' ' ' ASN . . . . . . . . . . . . . 10.7 t30 -65.0 -39.73 93.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.769 178.115 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 68' ' ' ARG . . . . . 0.46 ' O ' HG22 ' B' ' 72' ' ' VAL . 54.6 mtt-85 -82.65 -22.67 34.57 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.459 178.398 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 69' ' ' TRP . . . . . 0.536 ' NE1' HD13 ' A' ' 95' ' ' ILE . 10.6 t90 -56.42 -52.36 64.94 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.431 -0.804 . . . . 0.0 111.067 -178.526 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . -76.09 -11.18 85.03 Favored Glycine 0 N--CA 1.45 -0.411 0 C-N-CA 120.862 -0.685 . . . . 0.0 112.5 177.558 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 71' ' ' SER . . . . . . . . . . . . . 43.9 t -82.65 -21.81 34.87 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.671 0.272 . . . . 0.0 110.271 179.039 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 72' ' ' VAL . . . . . 0.46 HG22 ' O ' ' B' ' 68' ' ' ARG . 48.4 t -61.95 136.32 25.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.018 177.715 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 73' ' ' GLY . . . . . . . . . . . . . . . -57.39 131.17 51.92 Favored Glycine 0 N--CA 1.444 -0.811 0 N-CA-C 110.585 -1.006 . . . . 0.0 110.585 174.912 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 74' ' ' LYS . . . . . . . . . . . . . 30.7 mmtm -67.13 -27.77 67.59 Favored 'General case' 0 C--N 1.32 -0.711 0 N-CA-C 109.387 -0.597 . . . . 0.0 109.387 -173.914 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 75' ' ' LYS . . . . . . . . . . . . . 58.2 tptt -73.92 -48.07 33.28 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.17 -0.923 . . . . 0.0 109.822 173.127 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 76' ' ' GLU . . . . . 0.49 ' O ' HG13 ' B' ' 80' ' ' ILE . 19.6 tp10 -59.68 -41.15 90.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.314 -0.857 . . . . 0.0 110.652 -179.378 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 77' ' ' ALA . . . . . . . . . . . . . . . -56.6 -42.06 78.07 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.774 179.109 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 78' ' ' MET . . . . . . . . . . . . . 66.1 mtt -63.02 -39.65 95.39 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.279 178.73 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 79' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 -68.65 -41.05 79.9 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.665 178.869 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 80' ' ' ILE . . . . . 0.49 HG13 ' O ' ' B' ' 76' ' ' GLU . 87.5 mt -61.6 -47.77 91.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.556 177.506 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 81' ' ' ILE . . . . . 0.428 HG13 ' HB2' ' A' ' 92' ' ' LEU . 44.0 mm -64.22 -38.21 81.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.149 -179.519 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 82' ' ' LYS . . . . . 0.414 ' C ' ' HD2' ' B' ' 82' ' ' LYS . 2.6 tmmm? -61.56 -49.51 76.37 Favored 'General case' 0 C--O 1.234 0.242 0 N-CA-C 109.382 -0.599 . . . . 0.0 109.382 177.256 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 83' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -64.11 -37.01 85.91 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.492 -0.776 . . . . 0.0 110.583 179.514 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 84' ' ' PHE . . . . . 0.514 ' O ' ' HG ' ' B' ' 88' ' ' LEU . 1.6 t80 -60.5 -53.15 61.06 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.064 178.649 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 85' ' ' LYS . . . . . 0.428 ' HZ2' ' HB1' ' A' ' 89' ' ' ALA . 98.4 mttt -61.09 -37.5 82.94 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.913 179.762 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 86' ' ' LYS . . . . . . . . . . . . . 26.7 tttm -57.32 -57.58 11.99 Favored 'General case' 0 C--O 1.236 0.347 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.978 178.358 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 87' ' ' ASP . . . . . 0.574 ' O ' ' HG2' ' B' ' 91' ' ' MET . 0.6 OUTLIER -66.64 -30.25 70.48 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.193 -177.495 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' B' B ' 88' ' ' LEU . . . . . 0.514 ' HG ' ' O ' ' B' ' 84' ' ' PHE . 62.8 mt -60.84 -43.41 98.33 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.94 0.4 . . . . 0.0 110.395 175.008 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 89' ' ' ALA . . . . . 0.431 ' HB1' ' HZ2' ' A' ' 85' ' ' LYS . . . -63.3 -36.99 85.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.73 179.203 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 90' ' ' ALA . . . . . 0.55 ' O ' HG13 ' B' ' 94' ' ' ILE . . . -66.35 -49.68 66.13 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.741 178.124 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 91' ' ' MET . . . . . 0.574 ' HG2' ' O ' ' B' ' 87' ' ' ASP . 94.2 mmm -61.01 -37.94 84.31 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.311 179.796 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 92' ' ' LEU . . . . . 0.451 ' HB2' HG13 ' A' ' 81' ' ' ILE . 54.7 tp -59.88 -45.29 92.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.697 -0.683 . . . . 0.0 111.128 177.505 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 93' ' ' ARG . . . . . . . . . . . . . 72.3 ttt180 -64.5 -30.5 71.53 Favored 'General case' 0 N--CA 1.442 -0.86 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.58 -178.468 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 94' ' ' ILE . . . . . 0.55 HG13 ' O ' ' B' ' 90' ' ' ALA . 22.3 mt -71.13 -35.5 58.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.584 -0.28 . . . . 0.0 110.396 176.52 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 95' ' ' ILE . . . . . 0.521 HD13 ' NE1' ' A' ' 69' ' ' TRP . 13.5 mm -53.84 -48.64 61.87 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.266 0 CA-C-O 121.53 0.681 . . . . 0.0 109.36 173.687 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 96' ' ' ASN . . . . . . . . . . . . . 4.3 t-20 -74.63 -22.45 58.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.25 -0.886 . . . . 0.0 111.143 -177.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 97' ' ' ALA . . . . . . . . . . . . . . . -67.45 -37.61 83.22 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.347 0.594 . . . . 0.0 109.983 175.19 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 98' ' ' ARG . . . . . 0.516 ' HG2' ' O ' ' B' ' 94' ' ' ILE . 15.0 ptm180 . . . . . 0 C--N 1.323 -0.56 0 CA-C-N 115.198 -0.91 . . . . 0.0 109.353 177.429 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.0 0 CA-C-O 120.709 0.29 . . . . 0.0 110.64 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -61.14 -35.67 91.19 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 121.195 -0.526 . . . . 0.0 113.08 -176.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 67.7 tp -68.85 -31.47 70.45 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 120.786 0.327 . . . . 0.0 111.003 -179.354 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 53.4 tp -84.06 -39.78 19.15 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.963 0.411 . . . . 0.0 110.828 -175.505 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -93.24 -3.21 54.12 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.188 -177.322 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 68.15 25.96 74.29 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 121.101 -0.571 . . . . 0.0 112.171 177.177 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 68.4 m80 -141.23 71.01 1.35 Allowed 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.813 0.34 . . . . 0.0 110.306 -177.41 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.732 ' HA3' ' SD ' ' A' ' 46' ' ' MET . . . -83.38 -161.89 32.12 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.671 -0.776 . . . . 0.0 111.803 178.045 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.426 ' O ' HG23 ' A' ' 47' ' ' VAL . 62.8 Cg_endo -74.24 -176.19 2.57 Favored 'Trans proline' 0 N--CA 1.462 -0.325 0 C-N-CA 122.239 1.959 . . . . 0.0 112.145 178.143 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 19.2 pt -57.29 -28.78 31.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-O 120.821 0.343 . . . . 0.0 111.763 -178.349 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 97.0 mtt180 -62.45 -43.46 98.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.091 0.472 . . . . 0.0 110.653 176.635 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' MET . . . . . 0.732 ' SD ' ' HA3' ' A' ' 42' ' ' GLY . 54.5 mtt -73.79 -28.2 61.52 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.712 178.798 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.426 HG23 ' O ' ' A' ' 43' ' ' PRO . 86.0 t -58.55 -48.97 84.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.765 0.317 . . . . 0.0 110.434 176.573 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 62.0 mt -65.99 -35.49 80.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.679 178.427 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -60.95 -47.53 86.02 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.009 176.008 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.561 HG13 ' O ' ' A' ' 46' ' ' MET . 66.4 mt -65.32 -33.83 66.34 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.177 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.156 178.375 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.536 ' O ' ' HG2' ' A' ' 55' ' ' ARG . 14.4 tp -62.31 -52.71 62.57 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.423 178.162 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.54 -38.6 81.47 Favored 'General case' 0 CA--C 1.518 -0.277 0 CA-C-O 120.873 0.368 . . . . 0.0 110.456 178.882 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 0.441 ' HB3' ' O ' ' A' ' 50' ' ' ILE . 75.2 t80 -52.34 -57.67 9.06 Favored 'General case' 0 N--CA 1.451 -0.414 0 CA-C-N 115.631 -0.713 . . . . 0.0 109.27 172.817 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.439 HD12 ' H ' ' A' ' 62' ' ' SER . 93.2 mt -69.53 -6.57 31.67 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.111 -0.495 . . . . 0.0 112.301 -178.608 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.536 ' HG2' ' O ' ' A' ' 51' ' ' LEU . 36.0 mmt180 -85.81 -42.57 14.05 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.925 0.393 . . . . 0.0 110.897 175.355 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 40.6 m-85 -100.82 -8.18 22.89 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.931 -176.345 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' THR . . . . . 0.515 ' HA ' ' HG2' ' B' ' 46' ' ' MET . 43.7 p -107.34 -12.37 15.35 Favored 'General case' 0 C--N 1.327 -0.396 0 C-N-CA 120.566 -0.454 . . . . 0.0 110.993 174.862 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -146.26 170.15 17.33 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.979 -173.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 70.4 mt -105.04 -18.16 7.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-O 121.943 0.878 . . . . 0.0 110.338 -179.276 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 59.4 tptt -141.9 109.64 6.02 Favored Pre-proline 0 C--N 1.306 -1.292 0 CA-C-N 114.5 -1.227 . . . . 0.0 110.657 -178.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 17.1 Cg_exo -68.24 154.57 71.92 Favored 'Trans proline' 0 C--O 1.234 0.304 0 C-N-CA 122.665 2.243 . . . . 0.0 111.679 175.715 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' SER . . . . . 0.439 ' H ' HD12 ' A' ' 54' ' ' LEU . 12.8 m -69.7 139.78 53.47 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.629 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 84.5 mt -63.46 -21.94 66.6 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.38 -0.827 . . . . 0.0 112.076 -173.088 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -62.68 -45.8 95.02 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.576 -0.821 . . . . 0.0 111.556 175.69 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -66.19 -39.58 89.81 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 109.713 -0.477 . . . . 0.0 109.713 176.79 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 50.4 mm -65.01 -34.07 68.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.044 179.681 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 8.7 t30 -73.35 -33.86 65.31 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.883 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 65.6 ttt180 -90.85 -8.46 49.48 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.386 0.613 . . . . 0.0 110.152 -179.229 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' TRP . . . . . 0.584 ' NE1' HD13 ' B' ' 95' ' ' ILE . 11.3 t90 -60.95 -47.9 84.31 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.144 -0.935 . . . . 0.0 110.892 -178.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -73.71 -5.05 67.79 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.832 -0.699 . . . . 0.0 112.421 178.492 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 33.4 t -89.24 -8.47 53.41 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.038 0.447 . . . . 0.0 109.906 179.091 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 70.0 t -72.08 127.26 33.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.092 -0.504 . . . . 0.0 109.873 176.368 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -62.83 119.41 17.32 Favored Glycine 0 N--CA 1.442 -0.96 0 N-CA-C 110.292 -1.123 . . . . 0.0 110.292 174.563 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.495 ' O ' ' HG3' ' A' ' 78' ' ' MET . 8.5 ptpp? -63.53 -23.41 67.38 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 120.584 0.231 . . . . 0.0 111.146 -172.949 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 21.6 tptm -66.01 -49.96 65.93 Favored 'General case' 0 C--N 1.331 -0.233 0 N-CA-C 109.654 -0.498 . . . . 0.0 109.654 173.102 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . 0.511 ' O ' HG13 ' A' ' 80' ' ' ILE . 18.5 tp10 -61.59 -40.63 95.45 Favored 'General case' 0 N--CA 1.453 -0.308 0 CA-C-N 115.648 -0.706 . . . . 0.0 109.442 176.605 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . 0.403 ' O ' HG12 ' A' ' 81' ' ' ILE . . . -55.82 -45.42 78.34 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.824 177.377 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' MET . . . . . 0.495 ' HG3' ' O ' ' A' ' 74' ' ' LYS . 66.5 mtt -57.56 -41.91 81.99 Favored 'General case' 0 C--O 1.236 0.364 0 CA-C-O 121.209 0.528 . . . . 0.0 110.481 177.578 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -69.02 -46.41 68.05 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.687 179.288 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . 0.511 HG13 ' O ' ' A' ' 76' ' ' GLU . 86.3 mt -58.26 -53.84 40.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.98 179.194 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . 0.42 HG13 ' HB2' ' B' ' 92' ' ' LEU . 44.6 mm -58.42 -38.77 71.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.025 -178.046 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . 0.43 ' HZ3' ' HB2' ' A' ' 82' ' ' LYS . 3.6 ttmp? -61.11 -51.87 67.29 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.707 177.892 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 53.0 mtmt -69.23 -28.57 66.47 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.961 -179.114 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . 0.444 ' O ' ' HG ' ' A' ' 88' ' ' LEU . 0.9 OUTLIER -65.5 -49.72 67.95 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.878 -0.601 . . . . 0.0 109.729 178.498 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -62.4 -32.57 73.42 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.673 178.098 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . 0.419 ' HB3' ' HZ3' ' A' ' 86' ' ' LYS . 3.8 mmmp? -65.57 -42.66 91.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.896 176.793 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -67.05 -39.16 86.85 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 109.608 -0.516 . . . . 0.0 109.608 179.354 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.444 ' HG ' ' O ' ' A' ' 84' ' ' PHE . 97.0 mt -63.77 -40.69 97.3 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.93 177.422 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -62.85 -42.29 99.68 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.593 178.555 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . 0.544 ' O ' HG13 ' A' ' 94' ' ' ILE . . . -67.15 -43.32 82.6 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.094 176.231 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' MET . . . . . 0.565 ' O ' HG12 ' A' ' 95' ' ' ILE . 37.7 ttm -53.01 -54.58 33.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.394 177.876 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.412 ' HB2' HG13 ' B' ' 81' ' ' ILE . 63.9 tp -52.32 -50.78 61.56 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.485 -0.78 . . . . 0.0 111.082 178.131 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 79.7 ttt180 -56.52 -43.27 79.62 Favored 'General case' 0 N--CA 1.445 -0.701 0 CA-C-N 115.253 -0.885 . . . . 0.0 111.265 -178.404 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . 0.612 ' O ' ' HG2' ' A' ' 98' ' ' ARG . 52.3 mt -73.2 -35.26 46.8 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.487 0 CA-C-N 116.473 -0.33 . . . . 0.0 111.226 -178.026 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . 0.607 HD13 ' NE1' ' B' ' 69' ' ' TRP . 25.2 mm -57.84 -42.91 83.25 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.338 0 CA-C-O 121.289 0.566 . . . . 0.0 109.575 175.023 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 94.6 m-20 -60.98 -38.83 87.36 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.334 -0.848 . . . . 0.0 110.518 176.799 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -80.29 -17.47 52.01 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.751 -178.479 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . 0.612 ' HG2' ' O ' ' A' ' 94' ' ' ILE . 3.7 mmp_? -65.16 -49.9 68.05 Favored 'General case' 0 CA--C 1.519 -0.235 0 CA-C-O 121.103 0.478 . . . . 0.0 110.095 178.675 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 43.9 tptt -96.01 5.06 52.05 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 109.031 -0.729 . . . . 0.0 109.031 176.197 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . 0.547 ' O ' ' HG3' ' A' ' 103' ' ' ARG . 12.1 pt-20 46.76 26.51 0.56 Allowed 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 125.154 1.382 . . . . 0.0 113.524 175.905 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 97.1 mttt 52.33 26.02 3.81 Favored 'General case' 0 N--CA 1.468 0.438 0 CA-C-O 120.852 0.358 . . . . 0.0 111.232 -177.551 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 21.4 tptm 57.14 65.89 1.28 Allowed 'General case' 0 CA--C 1.532 0.262 0 CA-C-N 115.361 -0.836 . . . . 0.0 111.248 -178.777 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . 0.547 ' HG3' ' O ' ' A' ' 100' ' ' GLU . 82.2 mtm180 -67.7 -38.47 83.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.366 0.603 . . . . 0.0 109.965 174.836 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 59.9 mtm180 . . . . . 0 C--O 1.249 1.04 0 CA-C-N 115.229 -0.896 . . . . 0.0 110.337 -176.135 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.037 0 CA-C-O 120.824 0.345 . . . . 0.0 110.539 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 36' ' ' GLY . . . . . . . . . . . . . . . -61.39 -36.34 92.37 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 121.103 -0.57 . . . . 0.0 112.988 -176.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 67.2 tp -68.18 -31.38 70.87 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 120.758 0.313 . . . . 0.0 111.157 -179.681 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 53.4 tp -84.48 -39.34 19.02 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.907 0.384 . . . . 0.0 110.798 -175.418 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -93.59 -2.81 53.67 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.193 -177.483 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . 67.84 26.15 73.96 Favored Glycine 0 N--CA 1.453 -0.219 0 C-N-CA 121.139 -0.553 . . . . 0.0 112.163 177.086 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 41' ' ' HIS . . . . . . . . . . . . . 68.4 m80 -141.4 70.58 1.34 Allowed 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.753 0.311 . . . . 0.0 110.415 -177.261 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 42' ' ' GLY . . . . . 0.724 ' HA3' ' SD ' ' B' ' 46' ' ' MET . . . -83.14 -161.62 31.28 Favored Glycine 0 N--CA 1.449 -0.459 0 C-N-CA 120.629 -0.796 . . . . 0.0 111.914 178.17 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 43' ' ' PRO . . . . . 0.44 ' O ' HG23 ' B' ' 47' ' ' VAL . 61.7 Cg_endo -74.37 -176.19 2.6 Favored 'Trans proline' 0 N--CA 1.461 -0.405 0 C-N-CA 122.268 1.979 . . . . 0.0 112.127 178.108 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 19.3 pt -57.38 -28.66 31.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-O 120.811 0.339 . . . . 0.0 111.785 -178.372 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 45' ' ' ARG . . . . . 0.407 ' HA ' HD12 ' B' ' 80' ' ' ILE . 96.8 mtt180 -62.52 -43.42 98.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.139 0.495 . . . . 0.0 110.614 176.643 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 46' ' ' MET . . . . . 0.724 ' SD ' ' HA3' ' B' ' 42' ' ' GLY . 55.1 mtt -73.74 -28.37 61.65 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.738 178.838 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 47' ' ' VAL . . . . . 0.44 HG23 ' O ' ' B' ' 43' ' ' PRO . 86.9 t -58.37 -49.07 83.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.733 0.301 . . . . 0.0 110.454 176.587 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 61.9 mt -65.8 -35.59 81.12 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.693 178.395 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -60.91 -47.74 85.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.976 175.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 50' ' ' ILE . . . . . 0.54 HG13 ' O ' ' B' ' 46' ' ' MET . 66.0 mt -65.07 -33.89 66.84 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.262 178.209 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 51' ' ' LEU . . . . . 0.549 ' O ' ' HG2' ' B' ' 55' ' ' ARG . 14.4 tp -62.31 -52.58 63.12 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.485 178.188 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.68 -38.69 82.24 Favored 'General case' 0 CA--C 1.518 -0.261 0 CA-C-O 120.895 0.379 . . . . 0.0 110.41 178.897 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 53' ' ' PHE . . . . . 0.441 ' HB3' ' O ' ' B' ' 50' ' ' ILE . 75.5 t80 -52.16 -57.64 9.01 Favored 'General case' 0 N--CA 1.451 -0.389 0 CA-C-N 115.591 -0.731 . . . . 0.0 109.319 172.686 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 54' ' ' LEU . . . . . 0.433 HD12 ' H ' ' B' ' 62' ' ' SER . 94.2 mt -69.6 -6.74 33.13 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.104 -0.498 . . . . 0.0 112.213 -178.439 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 55' ' ' ARG . . . . . 0.549 ' HG2' ' O ' ' B' ' 51' ' ' LEU . 36.3 mmt180 -85.57 -42.87 13.99 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.915 0.388 . . . . 0.0 110.928 175.534 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 56' ' ' PHE . . . . . . . . . . . . . 41.0 m-85 -100.39 -8.63 23.07 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 116.081 -0.508 . . . . 0.0 112.006 -176.383 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 57' ' ' THR . . . . . 0.494 ' HA ' ' HG2' ' A' ' 46' ' ' MET . 44.2 p -106.89 -12.48 15.46 Favored 'General case' 0 C--N 1.328 -0.347 0 C-N-CA 120.547 -0.461 . . . . 0.0 111.014 174.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -146.64 169.71 18.43 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.945 -173.766 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 59' ' ' ILE . . . . . . . . . . . . . 70.1 mt -104.37 -18.39 6.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-O 122.015 0.912 . . . . 0.0 110.482 -179.115 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 59.5 tptt -141.85 109.25 6.0 Favored Pre-proline 0 C--N 1.307 -1.263 0 CA-C-N 114.485 -1.234 . . . . 0.0 110.647 -178.622 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 61' ' ' PRO . . . . . . . . . . . . . 17.0 Cg_exo -67.94 154.06 73.75 Favored 'Trans proline' 0 C--O 1.233 0.248 0 C-N-CA 122.738 2.292 . . . . 0.0 111.772 175.703 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 62' ' ' SER . . . . . 0.433 ' H ' HD12 ' B' ' 54' ' ' LEU . 12.7 m -69.44 139.58 54.02 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.757 -179.746 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 84.8 mt -63.05 -21.96 66.52 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 115.413 -0.812 . . . . 0.0 112.242 -173.071 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -62.82 -45.52 95.54 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.656 -0.783 . . . . 0.0 111.607 175.837 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -66.39 -39.55 89.11 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 109.747 -0.464 . . . . 0.0 109.747 176.614 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 66' ' ' ILE . . . . . . . . . . . . . 50.4 mm -65.03 -34.32 69.76 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 115.805 -0.634 . . . . 0.0 111.023 179.643 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 67' ' ' ASN . . . . . . . . . . . . . 8.7 t30 -72.83 -34.47 66.85 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.904 179.882 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 68' ' ' ARG . . . . . . . . . . . . . 65.5 ttt180 -90.33 -8.49 50.66 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.416 0.626 . . . . 0.0 110.153 -179.026 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 69' ' ' TRP . . . . . 0.607 ' NE1' HD13 ' A' ' 95' ' ' ILE . 11.3 t90 -60.87 -47.93 84.13 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.204 -0.907 . . . . 0.0 110.978 -178.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . -74.39 -4.2 68.51 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.352 178.54 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 71' ' ' SER . . . . . . . . . . . . . 33.1 t -89.46 -8.66 52.48 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 120.915 0.388 . . . . 0.0 109.965 178.538 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 72' ' ' VAL . . . . . . . . . . . . . 74.2 t -71.66 127.76 33.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.13 -0.486 . . . . 0.0 109.786 176.523 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 73' ' ' GLY . . . . . . . . . . . . . . . -63.44 119.85 18.37 Favored Glycine 0 N--CA 1.443 -0.859 0 N-CA-C 110.225 -1.15 . . . . 0.0 110.225 174.69 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 74' ' ' LYS . . . . . 0.49 ' O ' ' HG3' ' B' ' 78' ' ' MET . 8.4 ptpp? -63.78 -23.29 67.3 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.69 0.245 . . . . 0.0 111.14 -173.01 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 75' ' ' LYS . . . . . . . . . . . . . 21.6 tptm -65.92 -50.23 65.16 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 109.664 -0.495 . . . . 0.0 109.664 173.007 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 76' ' ' GLU . . . . . 0.51 ' O ' HG13 ' B' ' 80' ' ' ILE . 19.5 tp10 -61.35 -40.67 95.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.692 -0.685 . . . . 0.0 109.458 176.475 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 77' ' ' ALA . . . . . . . . . . . . . . . -55.71 -45.43 77.9 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.771 177.509 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 78' ' ' MET . . . . . 0.49 ' HG3' ' O ' ' B' ' 74' ' ' LYS . 66.6 mtt -57.53 -42.08 82.17 Favored 'General case' 0 C--O 1.237 0.396 0 CA-C-O 121.149 0.5 . . . . 0.0 110.597 177.55 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 79' ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 -68.78 -46.68 68.09 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.683 -0.69 . . . . 0.0 110.634 179.19 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 80' ' ' ILE . . . . . 0.51 HG13 ' O ' ' B' ' 76' ' ' GLU . 86.3 mt -58.02 -54.07 37.11 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.006 179.216 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 81' ' ' ILE . . . . . 0.412 HG13 ' HB2' ' A' ' 92' ' ' LEU . 44.7 mm -58.29 -38.73 70.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.951 -178.105 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 82' ' ' LYS . . . . . 0.429 ' HZ3' ' HB2' ' B' ' 82' ' ' LYS . 3.7 ttmp? -61.22 -51.95 66.82 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.576 178.074 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 83' ' ' LYS . . . . . . . . . . . . . 53.0 mtmt -69.2 -28.35 66.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.015 -179.107 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 84' ' ' PHE . . . . . 0.465 ' O ' ' HG ' ' B' ' 88' ' ' LEU . 0.9 OUTLIER -65.68 -49.46 68.47 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.913 -0.585 . . . . 0.0 109.702 178.421 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 85' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -62.68 -32.4 73.46 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.651 178.223 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 86' ' ' LYS . . . . . 0.431 ' HB3' ' HZ3' ' B' ' 86' ' ' LYS . 3.8 mmmp? -65.97 -41.97 90.47 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.917 176.865 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 87' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -67.69 -38.88 84.28 Favored 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 109.637 -0.505 . . . . 0.0 109.637 179.239 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 88' ' ' LEU . . . . . 0.465 ' HG ' ' O ' ' B' ' 84' ' ' PHE . 97.3 mt -64.1 -40.53 96.43 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.961 177.336 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -62.85 -42.56 99.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.575 178.572 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 90' ' ' ALA . . . . . 0.543 ' O ' HG13 ' B' ' 94' ' ' ILE . . . -66.83 -43.6 83.34 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.162 176.194 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 91' ' ' MET . . . . . 0.577 ' O ' HG12 ' B' ' 95' ' ' ILE . 37.5 ttm -52.81 -54.49 33.53 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.606 -0.724 . . . . 0.0 110.359 177.894 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 92' ' ' LEU . . . . . 0.42 ' HB2' HG13 ' A' ' 81' ' ' ILE . 63.7 tp -52.55 -50.4 62.99 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.486 -0.779 . . . . 0.0 111.087 178.193 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 93' ' ' ARG . . . . . . . . . . . . . 79.7 ttt180 -56.94 -43.27 81.33 Favored 'General case' 0 N--CA 1.446 -0.674 0 CA-C-N 115.28 -0.873 . . . . 0.0 111.191 -178.313 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 94' ' ' ILE . . . . . 0.595 ' O ' ' HG2' ' B' ' 98' ' ' ARG . 51.5 mt -73.05 -35.54 48.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-N 116.456 -0.338 . . . . 0.0 111.224 -178.215 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 95' ' ' ILE . . . . . 0.584 HD13 ' NE1' ' A' ' 69' ' ' TRP . 25.1 mm -57.62 -43.29 83.15 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.368 0 CA-C-O 121.372 0.605 . . . . 0.0 109.512 175.019 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 96' ' ' ASN . . . . . . . . . . . . . 94.5 m-20 -60.59 -38.88 86.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.436 -0.802 . . . . 0.0 110.545 176.843 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 97' ' ' ALA . . . . . . . . . . . . . . . -80.17 -17.4 52.54 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.719 -178.461 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 98' ' ' ARG . . . . . 0.595 ' HG2' ' O ' ' B' ' 94' ' ' ILE . 3.7 mmp_? -65.33 -49.7 68.43 Favored 'General case' 0 CA--C 1.518 -0.256 0 CA-C-O 121.18 0.514 . . . . 0.0 110.13 178.675 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 99' ' ' LYS . . . . . . . . . . . . . 43.8 tptt -96.3 5.35 51.16 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 109.076 -0.712 . . . . 0.0 109.076 176.004 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 100' ' ' GLU . . . . . 0.547 ' O ' ' HG3' ' B' ' 103' ' ' ARG . 12.2 pt-20 46.9 25.91 0.52 Allowed 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 125.15 1.38 . . . . 0.0 113.518 175.811 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 101' ' ' LYS . . . . . . . . . . . . . 97.0 mttt 52.54 26.26 4.17 Favored 'General case' 0 N--CA 1.467 0.379 0 C-N-CA 122.628 0.371 . . . . 0.0 111.16 -177.207 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 102' ' ' LYS . . . . . . . . . . . . . 21.5 tptm 57.28 65.12 1.43 Allowed 'General case' 0 CA--C 1.533 0.32 0 CA-C-N 115.415 -0.811 . . . . 0.0 111.376 -179.165 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 103' ' ' ARG . . . . . 0.547 ' HG3' ' O ' ' B' ' 100' ' ' GLU . 82.5 mtm180 -67.12 -38.71 86.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.328 0.585 . . . . 0.0 109.832 174.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 104' ' ' ARG . . . . . . . . . . . . . 60.4 mtm180 . . . . . 0 C--O 1.248 0.992 0 CA-C-N 115.234 -0.893 . . . . 0.0 110.485 -176.222 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 0.981 0 CA-C-O 120.794 0.33 . . . . 0.0 110.213 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -60.15 -32.27 75.71 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 121.122 -0.561 . . . . 0.0 113.081 -176.491 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 63.6 mt -75.95 -9.87 58.96 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 120.805 0.336 . . . . 0.0 111.006 -177.674 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 8.6 tt -96.49 -40.03 9.27 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 109.635 -0.505 . . . . 0.0 109.635 178.395 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -80.92 -17.71 49.6 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.12 -178.652 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 93.33 33.8 7.03 Favored Glycine 0 N--CA 1.448 -0.56 0 C-N-CA 120.685 -0.769 . . . . 0.0 111.992 178.527 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 65.1 m-70 -132.25 90.69 2.84 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 109.619 -0.511 . . . . 0.0 109.619 178.59 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -112.29 179.94 19.57 Favored Glycine 0 N--CA 1.448 -0.5 0 C-N-CA 120.558 -0.83 . . . . 0.0 112.304 -177.679 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.447 ' O ' HG22 ' A' ' 47' ' ' VAL . 50.7 Cg_endo -69.48 -171.56 0.46 Allowed 'Trans proline' 0 CA--C 1.531 0.335 0 C-N-CA 122.825 2.35 . . . . 0.0 113.017 -179.844 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.477 HD12 ' OE1' ' A' ' 76' ' ' GLU . 2.6 pt -43.54 -50.91 1.39 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.554 0 N-CA-C 113.553 0.945 . . . . 0.0 113.553 -176.806 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . 0.585 ' HG3' ' SD ' ' A' ' 46' ' ' MET . 12.2 ptt180 -59.63 -42.81 93.54 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.864 0.364 . . . . 0.0 111.879 179.892 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' MET . . . . . 0.631 ' O ' HG13 ' A' ' 50' ' ' ILE . 1.6 mpt? -68.97 -28.22 66.42 Favored 'General case' 0 C--N 1.324 -0.533 0 C-N-CA 121.045 -0.262 . . . . 0.0 110.981 178.394 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.447 HG22 ' O ' ' A' ' 43' ' ' PRO . 94.6 t -60.91 -42.01 91.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 121.433 0.635 . . . . 0.0 109.339 176.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 5.6 tp -65.27 -38.77 91.33 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 114.958 -1.019 . . . . 0.0 110.467 178.389 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -68.17 -44.99 74.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.249 178.068 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.631 HG13 ' O ' ' A' ' 46' ' ' MET . 67.0 mt -63.9 -32.7 58.14 Favored 'Isoleucine or valine' 0 C--O 1.233 0.213 0 CA-C-O 121.135 0.493 . . . . 0.0 109.927 178.374 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.505 ' O ' ' HG2' ' A' ' 55' ' ' ARG . 12.5 tp -57.3 -58.56 7.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.693 -0.685 . . . . 0.0 110.195 175.847 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -57.2 -39.48 75.49 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.995 -179.551 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 84.8 t80 -52.85 -58.99 5.09 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.623 -0.717 . . . . 0.0 109.873 174.471 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.424 HD13 ' H ' ' A' ' 62' ' ' SER . 91.8 mt -68.19 -11.87 59.99 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.933 -177.95 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.505 ' HG2' ' O ' ' A' ' 51' ' ' LEU . 26.3 mmm180 -82.18 -40.25 22.01 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.724 0.297 . . . . 0.0 111.379 178.427 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . 0.525 ' CZ ' ' HA ' ' B' ' 84' ' ' PHE . 61.2 m-85 -105.88 -8.45 17.68 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.292 -0.413 . . . . 0.0 112.067 -175.616 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' THR . . . . . 0.438 ' HA ' ' HG3' ' B' ' 46' ' ' MET . 48.9 p -102.41 -32.06 10.17 Favored 'General case' 0 C--N 1.325 -0.499 0 C-N-CA 120.215 -0.594 . . . . 0.0 110.897 174.592 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -131.9 -179.41 5.38 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.107 -173.223 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 49.3 mm -115.64 120.72 65.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 N-CA-C 109.245 -0.65 . . . . 0.0 109.245 176.227 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 87.9 tttt 66.88 103.42 0.03 OUTLIER Pre-proline 0 C--O 1.232 0.176 0 O-C-N 123.994 0.808 . . . . 0.0 111.048 -177.515 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 33.2 Cg_exo -61.53 152.01 76.18 Favored 'Trans proline' 0 C--O 1.234 0.308 0 C-N-CA 122.844 2.362 . . . . 0.0 112.08 178.122 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' SER . . . . . 0.425 ' HB3' HD22 ' A' ' 65' ' ' LEU . 33.4 t -58.81 138.37 57.25 Favored 'General case' 0 C--O 1.236 0.39 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.495 178.838 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 82.9 mt -60.96 -23.59 65.45 Favored 'General case' 0 C--O 1.224 -0.258 0 CA-C-N 115.307 -0.861 . . . . 0.0 112.207 -172.462 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -61.73 -43.27 99.46 Favored Glycine 0 C--O 1.237 0.339 0 C-N-CA 120.305 -0.95 . . . . 0.0 111.624 176.118 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.425 HD22 ' HB3' ' A' ' 62' ' ' SER . 3.3 mm? -68.52 -38.79 81.18 Favored 'General case' 0 C--O 1.221 -0.434 0 N-CA-C 109.696 -0.483 . . . . 0.0 109.696 176.211 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 48.8 mm -64.47 -36.14 76.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 115.989 -0.55 . . . . 0.0 111.197 179.592 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 86.1 m-20 -71.19 -38.67 72.1 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.289 179.702 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 70.6 ttt180 -87.76 -8.4 56.06 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.547 0.689 . . . . 0.0 110.151 -179.582 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' TRP . . . . . 0.67 ' NE1' HD11 ' B' ' 95' ' ' ILE . 18.0 t90 -57.16 -41.71 79.7 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 114.935 -1.03 . . . . 0.0 110.898 -179.837 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -81.63 -1.34 90.13 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.65 -0.786 . . . . 0.0 112.629 -178.899 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 26.2 t -88.75 -12.89 40.91 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.758 0.313 . . . . 0.0 110.28 -179.379 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 30.3 t -63.33 143.42 15.61 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.433 0 N-CA-C 108.798 -0.815 . . . . 0.0 108.798 174.47 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . 0.476 ' C ' ' HG2' ' A' ' 74' ' ' LYS . . . -72.55 17.62 1.49 Allowed Glycine 0 C--O 1.223 -0.575 0 CA-C-O 118.908 -0.94 . . . . 0.0 114.565 -170.334 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.476 ' HG2' ' C ' ' A' ' 73' ' ' GLY . 2.0 ptpp? 51.01 -65.68 0.0 OUTLIER 'General case' 0 N--CA 1.485 1.322 0 C-N-CA 125.114 1.366 . . . . 0.0 113.808 178.773 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.471 ' N ' ' O ' ' A' ' 73' ' ' GLY . 1.3 tmtp? -54.94 -51.21 66.81 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 108.852 -0.796 . . . . 0.0 108.852 169.803 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . 0.477 ' OE1' HD12 ' A' ' 44' ' ' ILE . 9.9 tt0 -48.2 -47.08 35.61 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 114.291 -1.322 . . . . 0.0 110.73 171.733 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -61.49 -35.54 77.95 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.182 -179.198 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' MET . . . . . 0.428 ' HG3' ' O ' ' A' ' 74' ' ' LYS . 65.2 mtt -58.03 -44.8 87.55 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 109.82 -0.437 . . . . 0.0 109.82 176.861 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 27.5 mm-40 -64.51 -43.85 92.79 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.488 -0.778 . . . . 0.0 111.091 177.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . 0.445 HD11 ' HA ' ' A' ' 45' ' ' ARG . 73.3 mt -62.24 -52.21 63.03 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.851 179.218 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 40.8 mm -60.96 -35.01 62.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.782 -179.446 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . 0.483 ' HZ2' ' HB2' ' A' ' 82' ' ' LYS . 0.1 OUTLIER -60.71 -51.9 67.42 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.137 177.192 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 59.6 mtpt -65.42 -34.15 77.63 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.777 178.894 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . 0.526 ' O ' ' HG ' ' A' ' 88' ' ' LEU . 1.7 t80 -60.53 -52.18 66.28 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.738 -0.664 . . . . 0.0 110.029 179.248 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . 0.402 ' HZ3' ' HB2' ' B' ' 89' ' ' ALA . 98.2 mttt -63.61 -35.21 79.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.116 179.219 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -64.43 -45.17 88.69 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.896 178.367 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -67.63 -38.65 84.2 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.309 -0.405 . . . . 0.0 109.938 -178.237 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.526 ' HG ' ' O ' ' A' ' 84' ' ' PHE . 91.6 mt -60.46 -40.3 90.7 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.731 176.607 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . 0.486 ' O ' ' HG3' ' A' ' 93' ' ' ARG . . . -62.1 -46.83 87.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.925 -179.567 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . 0.468 ' O ' HG13 ' A' ' 94' ' ' ILE . . . -63.36 -47.47 82.0 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.816 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' MET . . . . . 0.541 ' O ' HG12 ' A' ' 95' ' ' ILE . 0.0 OUTLIER -61.15 -38.49 86.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.923 -0.58 . . . . 0.0 111.308 -179.622 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 51.5 tp -58.94 -46.44 87.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.132 0.491 . . . . 0.0 110.894 177.143 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . 0.486 ' HG3' ' O ' ' A' ' 89' ' ' ALA . 90.2 mtt180 -61.22 -36.0 78.74 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.635 -179.724 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . 0.583 ' O ' ' HG3' ' A' ' 98' ' ' ARG . 60.5 mt -69.03 -37.06 76.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.847 179.106 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . 0.665 HD11 ' NE1' ' B' ' 69' ' ' TRP . 25.9 mm -57.11 -45.57 84.29 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.214 0 CA-C-O 121.243 0.544 . . . . 0.0 109.962 176.608 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' ASN . . . . . 0.57 ' O ' ' HG2' ' A' ' 99' ' ' LYS . 80.1 m-20 -60.34 -38.91 85.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.306 -0.861 . . . . 0.0 110.469 178.155 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -74.68 -2.62 27.07 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.746 -178.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . 0.583 ' HG3' ' O ' ' A' ' 94' ' ' ILE . 58.8 mtp180 -99.67 9.83 42.42 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 111.807 0.299 . . . . 0.0 111.807 -179.616 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . 0.57 ' HG2' ' O ' ' A' ' 96' ' ' ASN . 61.3 pttt -80.33 -43.28 21.47 Favored 'General case' 0 CA--C 1.517 -0.308 0 N-CA-C 108.86 -0.792 . . . . 0.0 108.86 171.13 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 47.46 45.58 17.27 Favored 'General case' 0 C--O 1.235 0.324 0 O-C-N 123.871 0.732 . . . . 0.0 111.242 177.539 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 58.6 pttt -144.8 -161.7 1.34 Allowed 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.67 -0.696 . . . . 0.0 110.199 178.773 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 18.7 ptpt -56.21 156.55 5.57 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 121.435 0.636 . . . . 0.0 111.924 179.672 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 34.5 ptt180 -108.86 34.66 3.57 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.563 -0.744 . . . . 0.0 110.084 178.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 33.9 mmt180 . . . . . 0 C--O 1.247 0.955 0 CA-C-O 118.516 -0.754 . . . . 0.0 110.555 -178.703 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 0.939 0 CA-C-O 120.95 0.405 . . . . 0.0 110.326 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 36' ' ' GLY . . . . . . . . . . . . . . . -60.52 -32.03 76.59 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.974 -0.631 . . . . 0.0 112.965 -176.366 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 63.5 mt -75.88 -10.14 59.18 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 120.832 0.348 . . . . 0.0 111.133 -177.663 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 8.6 tt -96.49 -40.02 9.27 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 109.552 -0.536 . . . . 0.0 109.552 178.436 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -80.78 -17.84 49.59 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.024 -178.755 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . 93.51 33.18 7.27 Favored Glycine 0 N--CA 1.449 -0.452 0 C-N-CA 120.667 -0.778 . . . . 0.0 111.991 178.652 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 41' ' ' HIS . . . . . . . . . . . . . 64.6 m-70 -131.83 90.95 2.9 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 109.427 -0.582 . . . . 0.0 109.427 178.756 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 42' ' ' GLY . . . . . . . . . . . . . . . -112.17 -179.63 19.73 Favored Glycine 0 N--CA 1.448 -0.535 0 C-N-CA 120.504 -0.855 . . . . 0.0 112.287 -177.802 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 43' ' ' PRO . . . . . 0.44 ' O ' HG22 ' B' ' 47' ' ' VAL . 50.8 Cg_endo -69.79 -171.61 0.49 Allowed 'Trans proline' 0 CA--C 1.53 0.307 0 C-N-CA 122.911 2.407 . . . . 0.0 113.02 179.869 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . 0.453 HD12 ' OE1' ' B' ' 76' ' ' GLU . 2.6 pt -43.53 -51.22 1.35 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.544 0 N-CA-C 113.513 0.931 . . . . 0.0 113.513 -176.784 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 45' ' ' ARG . . . . . 0.579 ' HG3' ' SD ' ' B' ' 46' ' ' MET . 12.2 ptt180 -59.32 -42.93 92.55 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.859 0.362 . . . . 0.0 111.916 179.802 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 46' ' ' MET . . . . . 0.626 ' O ' HG13 ' B' ' 50' ' ' ILE . 1.5 mpt? -68.9 -28.28 66.54 Favored 'General case' 0 C--N 1.324 -0.542 0 C-N-CA 120.99 -0.284 . . . . 0.0 110.956 178.446 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 47' ' ' VAL . . . . . 0.44 HG22 ' O ' ' B' ' 43' ' ' PRO . 94.8 t -60.83 -41.98 90.71 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.23 0 CA-C-O 121.443 0.64 . . . . 0.0 109.363 177.049 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 5.6 tp -65.23 -38.85 91.7 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.007 -0.997 . . . . 0.0 110.453 178.39 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -68.13 -45.05 74.71 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.245 178.094 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 50' ' ' ILE . . . . . 0.626 HG13 ' O ' ' B' ' 46' ' ' MET . 66.8 mt -63.76 -32.78 58.29 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-O 121.064 0.459 . . . . 0.0 109.936 178.299 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 51' ' ' LEU . . . . . 0.503 ' O ' ' HG2' ' B' ' 55' ' ' ARG . 12.5 tp -57.28 -58.45 8.18 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.238 175.888 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -57.15 -39.56 75.48 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.019 -179.681 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 53' ' ' PHE . . . . . . . . . . . . . 84.9 t80 -52.78 -58.94 5.24 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.662 -0.699 . . . . 0.0 109.917 174.461 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 54' ' ' LEU . . . . . 0.426 HD13 ' H ' ' B' ' 62' ' ' SER . 92.1 mt -68.33 -11.6 59.77 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.997 -177.944 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 55' ' ' ARG . . . . . 0.503 ' HG2' ' O ' ' B' ' 51' ' ' LEU . 26.4 mmm180 -82.42 -40.3 21.41 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.868 0.366 . . . . 0.0 111.374 178.249 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 56' ' ' PHE . . . . . 0.516 ' CZ ' ' HA ' ' A' ' 84' ' ' PHE . 60.6 m-85 -105.57 -8.81 17.76 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 112.055 0.391 . . . . 0.0 112.055 -175.589 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 57' ' ' THR . . . . . 0.431 ' HA ' ' HG3' ' A' ' 46' ' ' MET . 47.8 p -102.15 -32.13 10.25 Favored 'General case' 0 C--N 1.325 -0.459 0 C-N-CA 120.252 -0.579 . . . . 0.0 110.979 174.773 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -131.88 -179.0 5.13 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.106 -173.377 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 59' ' ' ILE . . . . . . . . . . . . . 49.2 mm -115.8 120.97 66.34 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 N-CA-C 109.339 -0.615 . . . . 0.0 109.339 176.201 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 88.1 tttt 66.62 103.67 0.03 OUTLIER Pre-proline 0 N--CA 1.462 0.174 0 O-C-N 123.923 0.764 . . . . 0.0 111.082 -177.242 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 61' ' ' PRO . . . . . . . . . . . . . 31.4 Cg_exo -61.9 151.7 79.52 Favored 'Trans proline' 0 C--O 1.233 0.271 0 C-N-CA 122.83 2.353 . . . . 0.0 112.08 177.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 62' ' ' SER . . . . . 0.426 ' H ' HD13 ' B' ' 54' ' ' LEU . 33.0 t -58.68 139.03 56.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.487 178.896 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 83.9 mt -61.75 -23.36 66.11 Favored 'General case' 0 C--O 1.224 -0.257 0 CA-C-N 115.275 -0.875 . . . . 0.0 112.145 -172.157 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -61.77 -43.16 99.6 Favored Glycine 0 C--O 1.237 0.286 0 C-N-CA 120.368 -0.92 . . . . 0.0 111.633 175.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 65' ' ' LEU . . . . . 0.419 ' O ' ' HB2' ' B' ' 69' ' ' TRP . 3.3 mm? -68.68 -38.87 80.68 Favored 'General case' 0 C--O 1.221 -0.431 0 N-CA-C 109.689 -0.486 . . . . 0.0 109.689 176.157 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 66' ' ' ILE . . . . . . . . . . . . . 48.5 mm -64.24 -36.3 76.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.159 179.499 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 67' ' ' ASN . . . . . . . . . . . . . 86.2 m-20 -71.14 -38.69 72.25 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.272 179.801 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 68' ' ' ARG . . . . . . . . . . . . . 70.8 ttt180 -87.71 -8.34 56.22 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.475 0.655 . . . . 0.0 110.095 -179.559 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 69' ' ' TRP . . . . . 0.665 ' NE1' HD11 ' A' ' 95' ' ' ILE . 18.0 t90 -57.36 -41.6 80.43 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 114.971 -1.013 . . . . 0.0 110.863 -179.722 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . -81.82 -1.21 90.16 Favored Glycine 0 N--CA 1.45 -0.4 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.595 -178.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 71' ' ' SER . . . . . . . . . . . . . 22.8 t -89.03 -12.35 41.59 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.745 0.307 . . . . 0.0 110.343 -179.682 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 72' ' ' VAL . . . . . 0.404 ' C ' ' H ' ' B' ' 74' ' ' LYS . 30.9 t -63.5 143.65 15.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 N-CA-C 108.785 -0.821 . . . . 0.0 108.785 174.302 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 73' ' ' GLY . . . . . 0.468 ' C ' ' HG2' ' B' ' 74' ' ' LYS . . . -72.7 17.77 1.51 Allowed Glycine 0 C--O 1.225 -0.466 0 CA-C-O 118.765 -1.02 . . . . 0.0 114.52 -170.427 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 74' ' ' LYS . . . . . 0.48 ' HE2' ' HB3' ' A' ' 99' ' ' LYS . 2.1 ptpp? 50.92 -65.76 0.0 OUTLIER 'General case' 0 N--CA 1.485 1.315 0 C-N-CA 125.23 1.412 . . . . 0.0 113.763 178.726 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 75' ' ' LYS . . . . . 0.462 ' N ' ' O ' ' B' ' 73' ' ' GLY . 1.3 tmtp? -54.76 -51.36 65.94 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 121.679 0.752 . . . . 0.0 108.986 169.655 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 76' ' ' GLU . . . . . 0.453 ' OE1' HD12 ' B' ' 44' ' ' ILE . 9.8 tt0 -47.84 -47.32 31.44 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 114.372 -1.285 . . . . 0.0 110.796 171.457 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 77' ' ' ALA . . . . . . . . . . . . . . . -61.32 -35.56 77.72 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.873 -0.603 . . . . 0.0 111.157 -179.186 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 78' ' ' MET . . . . . 0.423 ' HG3' ' O ' ' B' ' 74' ' ' LYS . 65.3 mtt -58.11 -44.88 87.94 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 109.868 -0.419 . . . . 0.0 109.868 176.885 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 79' ' ' GLU . . . . . . . . . . . . . 34.8 mm-40 -64.42 -43.99 92.63 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.529 -0.759 . . . . 0.0 111.044 177.842 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 80' ' ' ILE . . . . . 0.448 HD11 ' HA ' ' B' ' 45' ' ' ARG . 73.5 mt -61.96 -52.22 63.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.031 -0.532 . . . . 0.0 110.87 179.206 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 81' ' ' ILE . . . . . . . . . . . . . 40.7 mm -61.1 -34.84 61.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 115.976 -0.557 . . . . 0.0 110.791 -179.415 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 82' ' ' LYS . . . . . 0.468 ' HB2' ' HZ2' ' B' ' 82' ' ' LYS . 0.1 OUTLIER -60.96 -51.85 67.49 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.102 177.311 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 83' ' ' LYS . . . . . . . . . . . . . 60.2 mtpt -65.29 -34.39 78.23 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.711 178.755 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 84' ' ' PHE . . . . . 0.525 ' HA ' ' CZ ' ' A' ' 56' ' ' PHE . 1.6 t80 -60.31 -52.23 66.13 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.007 179.345 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 85' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -63.67 -35.25 79.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.925 -0.58 . . . . 0.0 111.153 179.295 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 86' ' ' LYS . . . . . . . . . . . . . 97.2 mttt -64.34 -45.09 89.37 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.995 178.285 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 87' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -67.64 -38.76 84.32 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.986 0.422 . . . . 0.0 110.071 -178.502 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 88' ' ' LEU . . . . . 0.52 ' HG ' ' O ' ' B' ' 84' ' ' PHE . 91.6 mt -60.35 -40.33 90.34 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.705 176.45 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 89' ' ' ALA . . . . . 0.478 ' O ' ' HG3' ' B' ' 93' ' ' ARG . . . -62.03 -46.8 87.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.896 -179.653 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 90' ' ' ALA . . . . . 0.476 ' O ' HG13 ' B' ' 94' ' ' ILE . . . -63.39 -47.28 82.66 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.884 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 91' ' ' MET . . . . . 0.533 ' O ' HG12 ' B' ' 95' ' ' ILE . 0.0 OUTLIER -61.34 -38.68 87.81 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.262 -179.556 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 92' ' ' LEU . . . . . . . . . . . . . 51.4 tp -58.82 -46.65 87.17 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.121 0.486 . . . . 0.0 110.847 177.217 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 93' ' ' ARG . . . . . 0.478 ' HG3' ' O ' ' B' ' 89' ' ' ALA . 90.4 mtt180 -61.03 -35.99 78.36 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.68 -179.765 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 94' ' ' ILE . . . . . 0.577 ' O ' ' HG3' ' B' ' 98' ' ' ARG . 60.5 mt -69.02 -36.93 76.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.805 179.124 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 95' ' ' ILE . . . . . 0.67 HD11 ' NE1' ' A' ' 69' ' ' TRP . 26.2 mm -57.32 -45.35 85.15 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.193 0 CA-C-O 121.24 0.543 . . . . 0.0 109.831 176.767 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 96' ' ' ASN . . . . . 0.576 ' O ' ' HG2' ' B' ' 99' ' ' LYS . 78.9 m-20 -60.69 -38.63 85.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.291 -0.868 . . . . 0.0 110.506 178.248 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 97' ' ' ALA . . . . . . . . . . . . . . . -74.63 -3.22 29.89 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.888 -0.596 . . . . 0.0 111.648 -178.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 98' ' ' ARG . . . . . 0.577 ' HG3' ' O ' ' B' ' 94' ' ' ILE . 59.5 mtp180 -99.46 10.76 40.78 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 111.761 0.282 . . . . 0.0 111.761 -179.521 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 99' ' ' LYS . . . . . 0.576 ' HG2' ' O ' ' B' ' 96' ' ' ASN . 61.3 pttt -80.95 -43.13 20.2 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 108.879 -0.785 . . . . 0.0 108.879 170.934 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 100' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 47.31 45.25 16.67 Favored 'General case' 0 C--O 1.236 0.356 0 O-C-N 123.789 0.68 . . . . 0.0 111.345 177.691 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 101' ' ' LYS . . . . . . . . . . . . . 58.7 pttt -144.44 -161.62 1.32 Allowed 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.232 178.831 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 102' ' ' LYS . . . . . . . . . . . . . 18.6 ptpt -56.46 156.24 6.27 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.469 0.652 . . . . 0.0 111.811 179.869 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 103' ' ' ARG . . . . . . . . . . . . . 34.9 ptt180 -108.74 35.16 3.32 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.505 -0.771 . . . . 0.0 110.032 178.794 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 104' ' ' ARG . . . . . . . . . . . . . 33.8 mmt180 . . . . . 0 C--O 1.249 1.032 0 CA-C-N 115.518 -0.765 . . . . 0.0 110.409 -179.348 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 0.994 0 CA-C-O 120.885 0.374 . . . . 0.0 110.408 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -61.37 -34.13 87.13 Favored Glycine 0 N--CA 1.449 -0.442 0 CA-C-N 115.998 -0.546 . . . . 0.0 113.019 -175.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 10.1 mp -75.77 -12.48 60.19 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 120.784 0.326 . . . . 0.0 111.319 -178.445 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 58.4 tp -94.56 -38.48 10.86 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.921 0.391 . . . . 0.0 110.466 -179.514 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -89.69 -13.86 36.02 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.253 -178.782 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 85.28 34.95 12.93 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.819 -0.705 . . . . 0.0 112.022 179.522 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 29.1 t-80 -139.87 82.95 1.9 Allowed 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.055 0.455 . . . . 0.0 110.107 -177.097 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -99.38 157.63 19.93 Favored Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.891 -0.671 . . . . 0.0 111.653 179.565 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.403 ' O ' HG21 ' A' ' 47' ' ' VAL . 51.5 Cg_exo -55.6 168.91 1.37 Allowed 'Trans proline' 0 CA--C 1.532 0.413 0 C-N-CA 123.147 2.565 . . . . 0.0 113.111 -179.606 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.54 ' HB ' HG13 ' A' ' 72' ' ' VAL . 24.9 pt -54.31 -41.48 52.89 Favored 'Isoleucine or valine' 0 C--O 1.243 0.724 0 N-CA-C 112.649 0.611 . . . . 0.0 112.649 -171.203 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . 0.487 ' HA ' ' CD1' ' A' ' 80' ' ' ILE . 55.9 mtp180 -61.93 -40.79 96.72 Favored 'General case' 0 C--O 1.236 0.364 0 CA-C-O 121.366 0.603 . . . . 0.0 110.17 177.647 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' MET . . . . . 0.641 ' O ' HG13 ' A' ' 50' ' ' ILE . 1.8 mpt? -68.21 -30.56 69.66 Favored 'General case' 0 C--O 1.219 -0.536 0 CA-C-N 115.509 -0.769 . . . . 0.0 110.601 177.312 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.403 HG21 ' O ' ' A' ' 43' ' ' PRO . 95.7 t -56.21 -47.41 80.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 N-CA-C 110.287 -0.264 . . . . 0.0 110.287 177.22 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 7.3 mp -65.46 -37.02 85.63 Favored 'General case' 0 C--N 1.33 -0.27 0 C-N-CA 120.71 -0.396 . . . . 0.0 111.328 176.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -64.14 -44.48 92.02 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.905 0.384 . . . . 0.0 110.976 177.32 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.641 HG13 ' O ' ' A' ' 46' ' ' MET . 59.5 mt -66.0 -34.66 71.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.024 178.222 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.519 HD22 ' NE1' ' A' ' 69' ' ' TRP . 4.5 tp -58.37 -54.86 42.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.464 175.839 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -54.8 -43.33 72.81 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.383 179.814 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 74.1 t80 -53.24 -59.83 4.07 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.55 -0.75 . . . . 0.0 109.956 174.044 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 95.7 mt -66.5 -8.71 28.3 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 112.639 0.607 . . . . 0.0 112.639 -175.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.465 ' HG2' ' O ' ' A' ' 51' ' ' LEU . 17.6 mmm180 -94.38 -40.67 9.81 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.856 0.36 . . . . 0.0 111.351 178.305 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 73.2 m-85 -94.34 -15.64 24.22 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.505 -177.325 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' THR . . . . . 0.458 ' HA ' ' HG3' ' B' ' 46' ' ' MET . 34.1 p -103.83 -33.42 8.89 Favored 'General case' 0 C--N 1.325 -0.468 0 C-N-CA 120.515 -0.474 . . . . 0.0 111.038 177.725 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -128.56 179.56 5.6 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.016 0.436 . . . . 0.0 111.206 -173.855 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 3.4 mp -116.23 122.26 69.31 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 N-CA-C 109.084 -0.71 . . . . 0.0 109.084 175.483 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 53.2 tttm 65.82 104.19 0.03 OUTLIER Pre-proline 0 C--O 1.234 0.284 0 O-C-N 123.829 0.706 . . . . 0.0 111.822 -178.462 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 22.3 Cg_exo -65.88 152.35 81.72 Favored 'Trans proline' 0 C--O 1.235 0.374 0 C-N-CA 122.699 2.266 . . . . 0.0 111.386 174.225 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 27.9 t -60.51 142.03 55.78 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.282 178.462 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 86.6 mt -64.55 -16.64 62.94 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.568 -0.742 . . . . 0.0 112.264 -172.538 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -65.15 -47.81 77.17 Favored Glycine 0 N--CA 1.449 -0.457 0 C-N-CA 120.613 -0.803 . . . . 0.0 111.326 174.166 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.428 ' O ' ' HB2' ' A' ' 69' ' ' TRP . 3.2 mm? -66.15 -36.39 82.99 Favored 'General case' 0 C--O 1.222 -0.351 0 N-CA-C 109.78 -0.452 . . . . 0.0 109.78 176.779 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 45.4 mm -64.02 -37.99 81.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.036 179.125 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 -65.79 -44.37 85.94 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.704 179.131 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 67.5 ttt180 -81.46 -17.9 47.1 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.0 0.428 . . . . 0.0 110.371 -177.548 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' TRP . . . . . 0.519 ' NE1' HD22 ' A' ' 51' ' ' LEU . 19.0 t90 -54.75 -53.06 60.05 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.403 -0.817 . . . . 0.0 110.772 177.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -82.33 15.61 28.09 Favored Glycine 0 N--CA 1.449 -0.443 0 C-N-CA 120.839 -0.696 . . . . 0.0 112.211 178.636 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 19.6 m -122.07 11.98 10.31 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.302 0.573 . . . . 0.0 110.082 179.034 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.54 HG13 ' HB ' ' A' ' 44' ' ' ILE . 46.1 t -81.93 -15.58 12.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 122.281 1.039 . . . . 0.0 111.12 -178.83 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 83.9 115.85 0.64 Allowed Glycine 0 C--N 1.302 -1.322 0 CA-C-N 114.203 -1.362 . . . . 0.0 110.019 -169.466 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.611 ' O ' ' HG3' ' A' ' 78' ' ' MET . 9.8 ptpp? -63.84 -21.58 66.51 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.062 0.458 . . . . 0.0 110.056 -176.794 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 21.4 tptm -66.39 -54.82 20.03 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.082 172.75 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . 0.498 ' O ' HG13 ' A' ' 80' ' ' ILE . 14.5 tp10 -57.18 -43.23 82.45 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.441 -0.8 . . . . 0.0 109.68 176.813 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . 0.53 ' O ' HG12 ' A' ' 81' ' ' ILE . . . -55.58 -44.86 77.31 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.527 -0.761 . . . . 0.0 111.156 178.713 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' MET . . . . . 0.611 ' HG3' ' O ' ' A' ' 74' ' ' LYS . 67.8 mtt -58.15 -43.05 87.15 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-O 120.999 0.428 . . . . 0.0 110.541 178.6 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -68.62 -38.06 80.23 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.816 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . 0.498 HG13 ' O ' ' A' ' 76' ' ' GLU . 86.9 mt -63.28 -50.16 80.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.38 176.82 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . 0.53 HG12 ' O ' ' A' ' 77' ' ' ALA . 48.4 mm -60.52 -40.75 85.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.685 -179.861 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 24.8 ttmm -59.06 -50.97 72.06 Favored 'General case' 0 C--O 1.237 0.417 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.666 178.241 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 63.2 tttm -66.88 -38.95 87.27 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.523 179.872 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . 0.597 ' O ' ' HG ' ' A' ' 88' ' ' LEU . 0.3 OUTLIER -56.06 -52.67 63.43 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.015 -0.538 . . . . 0.0 110.302 -179.606 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -61.94 -36.2 80.7 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.917 179.658 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 39.7 ttmt -65.8 -48.63 71.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.615 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . 0.567 ' O ' ' HG2' ' A' ' 91' ' ' MET . 1.5 m-20 -63.39 -39.83 95.58 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.69 177.868 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.597 ' HG ' ' O ' ' A' ' 84' ' ' PHE . 85.0 mt -58.73 -43.08 90.08 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.903 0.382 . . . . 0.0 110.818 179.398 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -62.76 -41.49 99.24 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.6 178.424 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . 0.571 ' O ' HG13 ' A' ' 94' ' ' ILE . . . -65.49 -44.28 87.55 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.619 178.433 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' MET . . . . . 0.567 ' HG2' ' O ' ' A' ' 87' ' ' ASP . 25.6 mmt -61.33 -41.21 96.65 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.677 179.491 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 55.8 tp -57.6 -45.21 85.6 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.169 0.509 . . . . 0.0 110.496 177.871 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 96.5 mtt180 -60.87 -34.36 74.5 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.57 177.713 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . 0.571 HG13 ' O ' ' A' ' 90' ' ' ALA . 48.3 mt -73.92 -32.69 34.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.879 178.904 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . 0.495 HD12 ' NE1' ' B' ' 69' ' ' TRP . 18.5 mm -56.15 -43.07 74.99 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.287 0 CA-C-O 121.363 0.601 . . . . 0.0 109.562 174.283 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 35.0 m-80 -60.78 -43.07 98.53 Favored 'General case' 0 C--O 1.237 0.395 0 CA-C-N 115.298 -0.865 . . . . 0.0 110.357 174.588 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -68.51 -24.07 64.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.469 -0.787 . . . . 0.0 111.96 -178.508 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . 0.541 ' HG2' ' O ' ' A' ' 94' ' ' ILE . 27.1 mmm180 -85.25 13.01 6.94 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.878 0.37 . . . . 0.0 111.012 -177.719 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.2 -57.8 0.96 Allowed 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.995 -179.057 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -169.7 -43.29 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.692 -176.583 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 47.1 mmtm -80.41 56.66 2.6 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.74 -175.635 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.17 59.71 2.83 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.508 0.671 . . . . 0.0 110.37 173.431 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . 0.415 ' HA ' ' NH1' ' A' ' 104' ' ' ARG . 9.7 ptm180 -129.3 -179.83 5.36 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.372 -0.831 . . . . 0.0 110.622 -176.531 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . 0.472 ' O ' ' HG2' ' A' ' 104' ' ' ARG . 0.2 OUTLIER . . . . . 0 C--O 1.247 0.943 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.278 177.654 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.018 0 CA-C-O 120.869 0.366 . . . . 0.0 110.394 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 36' ' ' GLY . . . . . . . . . . . . . . . -61.77 -34.18 87.78 Favored Glycine 0 N--CA 1.45 -0.425 0 CA-C-N 116.091 -0.504 . . . . 0.0 113.043 -176.167 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 10.1 mp -76.06 -11.84 60.02 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-O 120.701 0.286 . . . . 0.0 111.274 -178.383 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 58.3 tp -95.19 -38.32 10.64 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.819 0.342 . . . . 0.0 110.4 -179.675 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -89.9 -13.96 35.25 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.246 -178.799 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . 85.65 34.85 12.59 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.788 -0.72 . . . . 0.0 111.903 179.331 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 41' ' ' HIS . . . . . . . . . . . . . 29.1 t-80 -140.02 83.06 1.9 Allowed 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 120.999 0.428 . . . . 0.0 110.05 -177.022 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 42' ' ' GLY . . . . . . . . . . . . . . . -99.49 157.71 19.87 Favored Glycine 0 N--CA 1.449 -0.436 0 C-N-CA 120.867 -0.682 . . . . 0.0 111.539 179.478 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 43' ' ' PRO . . . . . . . . . . . . . 51.5 Cg_exo -55.78 168.74 1.56 Allowed 'Trans proline' 0 C--N 1.346 0.411 0 C-N-CA 123.168 2.578 . . . . 0.0 113.073 -179.629 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . 0.527 ' HB ' HG13 ' B' ' 72' ' ' VAL . 25.0 pt -54.07 -41.67 51.51 Favored 'Isoleucine or valine' 0 C--O 1.242 0.684 0 N-CA-C 112.665 0.617 . . . . 0.0 112.665 -171.245 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 45' ' ' ARG . . . . . 0.49 ' HA ' ' CD1' ' B' ' 80' ' ' ILE . 55.9 mtp180 -61.81 -40.9 96.88 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-O 121.339 0.59 . . . . 0.0 110.109 177.624 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 46' ' ' MET . . . . . 0.627 ' O ' HG13 ' B' ' 50' ' ' ILE . 1.8 mpt? -68.23 -30.47 69.54 Favored 'General case' 0 C--O 1.219 -0.525 0 CA-C-N 115.547 -0.752 . . . . 0.0 110.604 177.438 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 47' ' ' VAL . . . . . 0.41 ' HB ' ' O ' ' B' ' 44' ' ' ILE . 95.1 t -56.22 -47.46 80.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.63 0.252 . . . . 0.0 110.354 177.199 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 7.3 mp -65.36 -37.12 86.07 Favored 'General case' 0 N--CA 1.464 0.249 0 C-N-CA 120.752 -0.379 . . . . 0.0 111.344 176.746 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -64.02 -44.46 92.49 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.917 0.389 . . . . 0.0 111.036 177.248 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 50' ' ' ILE . . . . . 0.627 HG13 ' O ' ' B' ' 46' ' ' MET . 59.9 mt -65.91 -34.74 72.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.019 178.271 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 51' ' ' LEU . . . . . 0.517 HD22 ' NE1' ' B' ' 69' ' ' TRP . 4.5 tp -58.45 -54.81 42.84 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.442 175.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -54.65 -43.54 72.46 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-N 115.998 -0.547 . . . . 0.0 110.434 179.705 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 53' ' ' PHE . . . . . . . . . . . . . 74.1 t80 -53.12 -59.8 4.09 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.452 -0.795 . . . . 0.0 109.973 174.049 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 54' ' ' LEU . . . . . . . . . . . . . 95.7 mt -66.6 -8.51 27.64 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 112.576 0.584 . . . . 0.0 112.576 -175.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 55' ' ' ARG . . . . . 0.463 ' HG2' ' O ' ' B' ' 51' ' ' LEU . 17.6 mmm180 -94.81 -40.16 9.89 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.883 0.373 . . . . 0.0 111.475 178.328 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 56' ' ' PHE . . . . . . . . . . . . . 73.1 m-85 -94.86 -15.25 23.85 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.365 -0.379 . . . . 0.0 111.49 -177.529 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 57' ' ' THR . . . . . 0.452 ' HA ' ' HG3' ' A' ' 46' ' ' MET . 34.0 p -104.08 -33.52 8.74 Favored 'General case' 0 C--N 1.326 -0.448 0 C-N-CA 120.528 -0.469 . . . . 0.0 111.031 177.574 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -128.43 179.48 5.63 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.164 0.507 . . . . 0.0 111.134 -173.843 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 59' ' ' ILE . . . . . . . . . . . . . 3.3 mp -116.07 122.2 69.11 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-N 115.616 -0.72 . . . . 0.0 109.237 175.249 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 53.2 tttm 65.69 104.51 0.03 OUTLIER Pre-proline 0 C--O 1.234 0.276 0 O-C-N 123.919 0.762 . . . . 0.0 111.804 -178.305 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 61' ' ' PRO . . . . . . . . . . . . . 21.9 Cg_exo -66.13 151.8 82.78 Favored 'Trans proline' 0 C--O 1.236 0.394 0 C-N-CA 122.693 2.262 . . . . 0.0 111.467 174.044 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 24.6 t -59.88 141.64 55.07 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.262 178.458 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 87.2 mt -64.5 -16.41 62.47 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.644 -0.707 . . . . 0.0 112.069 -172.565 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -65.28 -47.44 80.02 Favored Glycine 0 N--CA 1.449 -0.439 0 C-N-CA 120.484 -0.865 . . . . 0.0 111.361 174.18 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 65' ' ' LEU . . . . . 0.421 ' O ' ' HB2' ' B' ' 69' ' ' TRP . 3.2 mm? -66.52 -36.46 82.75 Favored 'General case' 0 C--O 1.221 -0.424 0 N-CA-C 109.753 -0.462 . . . . 0.0 109.753 176.674 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 66' ' ' ILE . . . . . . . . . . . . . 45.4 mm -64.01 -37.71 80.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.044 179.184 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 67' ' ' ASN . . . . . . . . . . . . . 3.9 t-20 -66.03 -44.35 84.95 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.616 179.033 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 68' ' ' ARG . . . . . . . . . . . . . 67.2 ttt180 -81.35 -17.93 47.4 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.051 0.453 . . . . 0.0 110.4 -177.513 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 69' ' ' TRP . . . . . 0.517 ' NE1' HD22 ' B' ' 51' ' ' LEU . 19.0 t90 -54.86 -53.08 59.96 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.337 -0.847 . . . . 0.0 110.753 178.066 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . -81.87 15.0 28.71 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.82 -0.705 . . . . 0.0 112.168 178.54 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 71' ' ' SER . . . . . . . . . . . . . 19.9 m -121.97 12.63 10.47 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.106 0.479 . . . . 0.0 110.167 179.135 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 72' ' ' VAL . . . . . 0.527 HG13 ' HB ' ' B' ' 44' ' ' ILE . 45.1 t -82.49 -15.47 11.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-O 122.237 1.018 . . . . 0.0 111.074 -179.036 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 73' ' ' GLY . . . . . . . . . . . . . . . 83.83 115.92 0.63 Allowed Glycine 0 C--N 1.302 -1.317 0 CA-C-N 114.164 -1.38 . . . . 0.0 110.083 -169.51 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 74' ' ' LYS . . . . . 0.594 ' O ' ' HG3' ' B' ' 78' ' ' MET . 9.8 ptpp? -63.43 -21.96 66.6 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 117.033 0.417 . . . . 0.0 110.198 -176.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 75' ' ' LYS . . . . . . . . . . . . . 21.6 tptm -66.26 -54.84 20.19 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.031 172.805 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 76' ' ' GLU . . . . . 0.501 ' O ' HG13 ' B' ' 80' ' ' ILE . 13.9 tp10 -57.22 -42.98 82.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.483 -0.78 . . . . 0.0 109.698 176.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 77' ' ' ALA . . . . . 0.537 ' O ' HG12 ' B' ' 81' ' ' ILE . . . -55.74 -44.93 78.03 Favored 'General case' 0 N--CA 1.454 -0.25 0 CA-C-N 115.531 -0.759 . . . . 0.0 111.163 178.572 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 78' ' ' MET . . . . . 0.594 ' HG3' ' O ' ' B' ' 74' ' ' LYS . 68.0 mtt -58.0 -43.09 86.44 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-O 120.854 0.359 . . . . 0.0 110.525 178.665 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 79' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -68.53 -38.22 80.68 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.748 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 80' ' ' ILE . . . . . 0.501 HG13 ' O ' ' B' ' 76' ' ' GLU . 87.2 mt -63.3 -50.26 79.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.424 176.852 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 81' ' ' ILE . . . . . 0.537 HG12 ' O ' ' B' ' 77' ' ' ALA . 48.4 mm -60.44 -40.43 84.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.796 -179.906 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 82' ' ' LYS . . . . . . . . . . . . . 24.8 ttmm -59.43 -50.97 71.88 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.547 178.199 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 83' ' ' LYS . . . . . . . . . . . . . 63.1 tttm -66.85 -38.82 87.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.522 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 84' ' ' PHE . . . . . 0.595 ' O ' ' HG ' ' B' ' 88' ' ' LEU . 0.3 OUTLIER -56.24 -52.64 63.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.251 -179.51 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 85' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -61.8 -36.66 81.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.824 179.578 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 86' ' ' LYS . . . . . . . . . . . . . 39.6 ttmt -65.27 -49.16 70.65 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.708 179.812 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 87' ' ' ASP . . . . . 0.579 ' O ' ' HG2' ' B' ' 91' ' ' MET . 1.3 m-20 -63.09 -39.68 95.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.75 177.796 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 88' ' ' LEU . . . . . 0.595 ' HG ' ' O ' ' B' ' 84' ' ' PHE . 84.9 mt -58.79 -43.15 90.39 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-O 120.884 0.373 . . . . 0.0 110.824 179.368 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -62.86 -41.37 99.35 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.531 178.61 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 90' ' ' ALA . . . . . 0.565 ' O ' HG13 ' B' ' 94' ' ' ILE . . . -65.44 -44.39 87.44 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.673 178.357 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 91' ' ' MET . . . . . 0.579 ' HG2' ' O ' ' B' ' 87' ' ' ASP . 25.7 mmt -61.3 -41.14 96.49 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.681 179.402 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 92' ' ' LEU . . . . . . . . . . . . . 55.9 tp -57.58 -45.15 85.59 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.173 0.511 . . . . 0.0 110.506 177.737 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 93' ' ' ARG . . . . . . . . . . . . . 96.1 mtt180 -61.01 -34.33 74.66 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.521 177.785 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 94' ' ' ILE . . . . . 0.565 HG13 ' O ' ' B' ' 90' ' ' ALA . 48.0 mt -73.97 -32.59 33.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.783 178.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 95' ' ' ILE . . . . . 0.506 HD12 ' NE1' ' A' ' 69' ' ' TRP . 18.5 mm -56.19 -43.17 75.57 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.331 0 CA-C-O 121.337 0.589 . . . . 0.0 109.603 174.295 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 96' ' ' ASN . . . . . . . . . . . . . 35.3 m-80 -60.69 -42.98 98.23 Favored 'General case' 0 C--O 1.236 0.393 0 CA-C-N 115.288 -0.869 . . . . 0.0 110.346 174.629 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 97' ' ' ALA . . . . . . . . . . . . . . . -68.23 -24.95 64.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.5 -0.773 . . . . 0.0 111.933 -178.511 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 98' ' ' ARG . . . . . 0.536 ' HG2' ' O ' ' B' ' 94' ' ' ILE . 27.3 mmm180 -84.46 12.59 6.62 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.92 0.391 . . . . 0.0 111.013 -177.447 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 99' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.95 -57.82 0.97 Allowed 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.991 -178.896 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 100' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -169.64 -43.31 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.723 -176.474 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 101' ' ' LYS . . . . . . . . . . . . . 47.1 mmtm -80.49 56.89 2.7 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.744 -175.755 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 102' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.34 59.23 2.8 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.639 -0.71 . . . . 0.0 110.452 173.477 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 103' ' ' ARG . . . . . 0.423 ' HA ' ' NH1' ' B' ' 104' ' ' ARG . 9.6 ptm180 -128.83 -179.72 5.25 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.224 -0.898 . . . . 0.0 110.778 -176.47 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 104' ' ' ARG . . . . . 0.463 ' HG2' ' O ' ' B' ' 104' ' ' ARG . 0.2 OUTLIER . . . . . 0 C--O 1.246 0.883 0 CA-C-N 116.124 -0.489 . . . . 0.0 109.965 177.544 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 0.992 0 CA-C-O 121.042 0.449 . . . . 0.0 110.117 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -60.77 -35.55 90.14 Favored Glycine 0 N--CA 1.451 -0.365 0 CA-C-N 115.914 -0.585 . . . . 0.0 113.544 -174.034 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -81.4 -17.56 48.54 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 120.778 0.323 . . . . 0.0 110.83 -177.242 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 6.7 tt -90.32 -44.34 9.76 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 109.821 -0.437 . . . . 0.0 109.821 -177.863 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.411 HD22 ' N ' ' A' ' 39' ' ' LEU . 3.5 mm? -87.32 -16.18 35.83 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.069 -179.194 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 80.17 15.93 77.62 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.742 -0.742 . . . . 0.0 111.995 179.835 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 69.4 m-70 -114.0 108.12 16.59 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.735 0.302 . . . . 0.0 110.386 -179.181 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -100.99 130.17 10.14 Favored Glycine 0 N--CA 1.445 -0.739 0 C-N-CA 120.649 -0.786 . . . . 0.0 112.525 -177.738 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.539 ' HD2' ' SD ' ' A' ' 46' ' ' MET . 43.9 Cg_endo -68.51 174.15 8.78 Favored 'Trans proline' 0 N--CA 1.463 -0.281 0 C-N-CA 122.658 2.239 . . . . 0.0 111.792 175.365 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 21.3 pt -49.59 -39.83 14.53 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.416 0 N-CA-C 113.023 0.749 . . . . 0.0 113.023 -173.29 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . 0.414 ' HA ' HD13 ' A' ' 80' ' ' ILE . 98.5 mtt180 -63.73 -44.62 93.02 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 121.272 0.558 . . . . 0.0 110.826 179.545 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' MET . . . . . 0.555 ' HG2' ' HA ' ' B' ' 57' ' ' THR . 62.2 mtp -72.18 -23.29 61.25 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.971 179.764 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.504 HG23 ' O ' ' A' ' 43' ' ' PRO . 93.0 t -63.31 -48.01 89.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.418 -0.356 . . . . 0.0 110.294 175.258 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 64.6 mt -66.95 -32.74 74.2 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.474 -0.33 . . . . 0.0 110.688 178.274 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -64.77 -51.65 61.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.174 177.542 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.43 ' O ' ' HB3' ' A' ' 53' ' ' PHE . 15.0 tt -71.38 -24.08 23.52 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 CA-C-O 121.024 0.44 . . . . 0.0 110.295 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.409 ' O ' ' HG2' ' A' ' 55' ' ' ARG . 14.7 tp -60.59 -57.42 12.78 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.074 -0.512 . . . . 0.0 109.864 174.839 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -58.78 -38.06 77.68 Favored 'General case' 0 CA--C 1.519 -0.213 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.494 178.709 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 0.477 ' HB2' ' HB2' ' B' ' 53' ' ' PHE . 43.0 t80 -51.3 -61.18 2.39 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.61 -0.723 . . . . 0.0 109.883 173.517 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.424 ' HB3' ' HA ' ' A' ' 61' ' ' PRO . 91.3 mt -68.12 -16.31 63.95 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.91 -177.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.409 ' HG2' ' O ' ' A' ' 51' ' ' LEU . 23.9 mmm180 -75.39 -46.31 33.75 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.023 0.44 . . . . 0.0 111.271 177.647 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . 0.609 ' CZ ' ' HA ' ' B' ' 84' ' ' PHE . 89.2 m-85 -96.24 -6.4 38.13 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.539 -174.645 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' THR . . . . . 0.562 ' HA ' ' HG2' ' B' ' 46' ' ' MET . 81.6 p -102.38 -34.36 9.21 Favored 'General case' 0 C--N 1.325 -0.484 0 C-N-CA 120.523 -0.471 . . . . 0.0 111.185 175.105 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -135.87 -176.61 4.36 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.575 -171.456 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 70.5 mt -116.19 127.6 73.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-N 115.719 -0.673 . . . . 0.0 109.913 178.523 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 86.0 tttt 57.32 83.74 0.22 Allowed Pre-proline 0 N--CA 1.465 0.305 0 O-C-N 123.649 0.593 . . . . 0.0 110.158 -177.647 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . 0.424 ' HA ' ' HB3' ' A' ' 54' ' ' LEU . 81.5 Cg_exo -40.84 -82.32 0.02 OUTLIER 'Trans proline' 0 C--N 1.348 0.549 0 C-N-CA 124.022 3.148 . . . . 0.0 114.778 -168.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' SER . . . . . 0.545 ' O ' HG12 ' A' ' 66' ' ' ILE . 71.2 m -166.75 135.84 2.9 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 109.346 -0.613 . . . . 0.0 109.346 -177.317 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -64.4 -31.19 72.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.573 -175.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -68.38 -40.34 87.03 Favored Glycine 0 C--O 1.237 0.342 0 C-N-CA 120.559 -0.829 . . . . 0.0 111.677 177.048 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.449 HD22 ' HB2' ' A' ' 62' ' ' SER . 4.5 mm? -67.79 -38.11 82.91 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 110.174 -0.306 . . . . 0.0 110.174 177.066 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.545 HG12 ' O ' ' A' ' 62' ' ' SER . 48.0 mm -66.48 -32.22 57.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 121.268 0.556 . . . . 0.0 110.339 176.715 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 27.1 t-20 -62.45 -43.71 98.16 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.684 176.685 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 42.3 ttm180 -85.25 -14.95 45.11 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.238 0.542 . . . . 0.0 110.467 -178.793 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' TRP . . . . . 0.508 ' NE1' HD11 ' B' ' 95' ' ' ILE . 13.7 t90 -56.76 -48.32 78.1 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.397 -0.819 . . . . 0.0 110.849 179.358 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -77.96 -3.05 83.96 Favored Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.886 -0.674 . . . . 0.0 112.49 178.581 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 22.7 t -91.45 -14.13 31.07 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 109.672 -0.492 . . . . 0.0 109.672 178.297 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 68.0 t -68.87 130.85 34.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 115.845 -0.616 . . . . 0.0 109.608 175.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -61.16 122.01 28.19 Favored Glycine 0 N--CA 1.44 -1.074 0 N-CA-C 110.456 -1.058 . . . . 0.0 110.456 175.747 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.492 ' O ' ' HG2' ' A' ' 78' ' ' MET . 11.9 ptmm? -59.35 -31.62 69.37 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.692 0.246 . . . . 0.0 111.129 -176.056 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 51.4 tptt -64.34 -47.51 79.08 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.868 0.366 . . . . 0.0 110.13 173.648 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . 0.483 ' O ' HG13 ' A' ' 80' ' ' ILE . 27.9 tp10 -60.11 -44.82 94.59 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.689 -0.687 . . . . 0.0 109.604 177.758 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -57.09 -43.7 82.44 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.736 178.314 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' MET . . . . . 0.492 ' HG2' ' O ' ' A' ' 74' ' ' LYS . 68.9 mmm -55.83 -42.1 75.24 Favored 'General case' 0 C--O 1.235 0.341 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.751 177.579 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -73.61 -40.86 63.49 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.893 -179.722 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . 0.483 HG13 ' O ' ' A' ' 76' ' ' GLU . 89.9 mt -60.98 -50.77 79.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.574 178.164 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 45.9 mm -62.68 -36.63 76.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.018 -178.692 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . 0.42 ' O ' ' HD3' ' A' ' 86' ' ' LYS . 4.5 tmmm? -61.19 -53.48 56.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.94 0.4 . . . . 0.0 110.09 178.167 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 14.7 ptmm? -72.7 -19.98 61.31 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.588 -177.732 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . 0.621 ' HA ' ' CZ ' ' B' ' 56' ' ' PHE . 1.8 t80 -67.94 -52.36 37.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.949 -0.569 . . . . 0.0 109.645 177.448 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -61.9 -39.91 93.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.995 -179.709 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . 0.42 ' HD3' ' O ' ' A' ' 82' ' ' LYS . 5.8 mptp? -64.86 -37.28 87.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.588 -179.609 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -72.95 -37.17 67.21 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 109.854 -0.424 . . . . 0.0 109.854 178.593 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.494 ' HG ' ' O ' ' A' ' 84' ' ' PHE . 94.3 mt -59.48 -44.14 93.11 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.15 175.076 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . 0.535 ' O ' ' HG3' ' A' ' 93' ' ' ARG . . . -61.08 -45.49 94.53 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.733 178.322 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . 0.581 ' O ' HG13 ' A' ' 94' ' ' ILE . . . -60.44 -51.13 70.8 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.898 178.835 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' MET . . . . . 0.422 ' O ' HG12 ' A' ' 95' ' ' ILE . 74.7 mtm -62.8 -35.47 79.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.023 -179.433 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 58.2 tp -59.13 -47.43 85.31 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.045 0.45 . . . . 0.0 110.595 175.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . 0.535 ' HG3' ' O ' ' A' ' 89' ' ' ALA . 21.7 mtm180 -61.05 -32.58 72.21 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.466 178.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . 0.625 ' O ' ' HG2' ' A' ' 98' ' ' ARG . 25.4 mt -72.39 -32.46 42.31 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.372 0 C-N-CA 120.807 -0.357 . . . . 0.0 110.693 178.444 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . 0.505 HD11 ' NE1' ' B' ' 69' ' ' TRP . 15.7 mm -56.52 -44.48 80.7 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.424 0 N-CA-C 109.202 -0.666 . . . . 0.0 109.202 173.091 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' ASN . . . . . 0.403 ' HB2' ' O ' ' A' ' 93' ' ' ARG . 36.4 m-80 -57.36 -39.92 76.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.184 -0.916 . . . . 0.0 110.117 174.689 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -78.57 -8.31 58.47 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.505 -0.77 . . . . 0.0 112.55 -177.536 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . 0.625 ' HG2' ' O ' ' A' ' 94' ' ' ILE . 31.5 mmm180 -81.45 -11.6 59.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.974 0.416 . . . . 0.0 110.282 179.079 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 28.0 mtpp -109.34 -76.24 0.61 Allowed 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.726 179.045 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 14.6 pt-20 -157.02 13.24 0.25 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.707 0.289 . . . . 0.0 111.227 -178.325 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 95.5 mttt 59.26 46.13 13.24 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 115.899 -0.591 . . . . 0.0 111.381 -178.573 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 24.9 ttmm -85.55 104.78 15.63 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.177 177.671 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 7.0 mpt_? -85.68 120.43 27.11 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.46 -0.336 . . . . 0.0 110.317 179.012 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . 0.676 ' HD3' ' O ' ' A' ' 104' ' ' ARG . 0.0 OUTLIER . . . . . 0 C--O 1.245 0.86 0 CA-C-O 118.947 -0.549 . . . . 0.0 110.473 178.849 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 0.949 0 CA-C-O 121.112 0.482 . . . . 0.0 110.058 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 36' ' ' GLY . . . . . . . . . . . . . . . -60.56 -35.38 89.06 Favored Glycine 0 N--CA 1.45 -0.382 0 CA-C-N 115.85 -0.614 . . . . 0.0 113.495 -173.881 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -81.36 -18.11 46.75 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 120.809 0.337 . . . . 0.0 110.801 -177.104 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 6.7 tt -89.88 -44.45 9.91 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 109.792 -0.447 . . . . 0.0 109.792 -177.67 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 39' ' ' LEU . . . . . 0.407 HD22 ' N ' ' B' ' 39' ' ' LEU . 3.5 mm? -87.03 -16.55 35.31 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.065 -179.141 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . 80.61 15.18 78.58 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.68 -0.772 . . . . 0.0 112.015 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 41' ' ' HIS . . . . . . . . . . . . . 68.9 m-70 -113.47 108.9 17.82 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.738 0.304 . . . . 0.0 110.325 -179.064 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 42' ' ' GLY . . . . . . . . . . . . . . . -101.69 129.79 10.01 Favored Glycine 0 N--CA 1.444 -0.813 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.514 -177.437 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 43' ' ' PRO . . . . . 0.549 ' HD2' ' SD ' ' B' ' 46' ' ' MET . 43.7 Cg_endo -68.48 173.96 9.03 Favored 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.609 2.206 . . . . 0.0 111.796 175.536 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 21.0 pt -49.61 -39.51 14.26 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.457 0 N-CA-C 113.08 0.77 . . . . 0.0 113.08 -173.033 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 45' ' ' ARG . . . . . 0.414 ' HA ' HD13 ' B' ' 80' ' ' ILE . 98.6 mtt180 -63.91 -44.66 92.27 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.244 0.545 . . . . 0.0 110.813 179.581 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 46' ' ' MET . . . . . 0.562 ' HG2' ' HA ' ' A' ' 57' ' ' THR . 62.5 mtp -72.13 -23.35 61.3 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.984 179.673 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 47' ' ' VAL . . . . . 0.493 HG23 ' O ' ' B' ' 43' ' ' PRO . 92.4 t -63.34 -47.92 89.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.429 -0.351 . . . . 0.0 110.326 175.198 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 64.8 mt -67.03 -32.73 74.14 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.502 -0.317 . . . . 0.0 110.684 178.218 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -64.72 -51.6 61.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.192 177.462 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 50' ' ' ILE . . . . . 0.421 ' O ' ' HB3' ' B' ' 53' ' ' PHE . 14.9 tt -71.46 -24.11 23.41 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-O 121.001 0.429 . . . . 0.0 110.287 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 51' ' ' LEU . . . . . 0.414 ' O ' ' HG2' ' B' ' 55' ' ' ARG . 14.6 tp -60.58 -57.29 13.34 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.129 -0.487 . . . . 0.0 109.829 174.848 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -58.82 -38.17 78.05 Favored 'General case' 0 CA--C 1.518 -0.286 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.459 178.691 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 53' ' ' PHE . . . . . 0.477 ' HB2' ' HB2' ' A' ' 53' ' ' PHE . 42.9 t80 -51.23 -61.1 2.44 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.633 -0.712 . . . . 0.0 109.834 173.569 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 54' ' ' LEU . . . . . 0.423 ' HB3' ' HA ' ' B' ' 61' ' ' PRO . 92.2 mt -68.22 -16.4 63.96 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.902 -177.804 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 55' ' ' ARG . . . . . 0.414 ' HG2' ' O ' ' B' ' 51' ' ' LEU . 23.9 mmm180 -75.4 -46.31 33.68 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.927 0.394 . . . . 0.0 111.272 177.634 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 56' ' ' PHE . . . . . 0.621 ' CZ ' ' HA ' ' A' ' 84' ' ' PHE . 89.4 m-85 -96.15 -6.38 38.48 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.59 -174.74 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 57' ' ' THR . . . . . 0.555 ' HA ' ' HG2' ' A' ' 46' ' ' MET . 81.7 p -102.19 -34.62 9.19 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.133 0.492 . . . . 0.0 111.211 175.041 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -135.56 -176.95 4.45 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.828 -0.624 . . . . 0.0 111.499 -171.267 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 59' ' ' ILE . . . . . . . . . . . . . 70.2 mt -116.14 127.6 73.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 115.715 -0.675 . . . . 0.0 109.856 178.55 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 86.0 tttt 57.1 83.99 0.21 Allowed Pre-proline 0 N--CA 1.465 0.296 0 O-C-N 123.58 0.55 . . . . 0.0 110.23 -177.46 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 61' ' ' PRO . . . . . 0.423 ' HA ' ' HB3' ' B' ' 54' ' ' LEU . 82.7 Cg_exo -40.83 -82.66 0.02 OUTLIER 'Trans proline' 0 C--N 1.348 0.547 0 C-N-CA 124.025 3.15 . . . . 0.0 114.8 -169.19 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 62' ' ' SER . . . . . 0.555 ' O ' HG12 ' B' ' 66' ' ' ILE . 72.5 m -166.55 136.17 3.1 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 109.3 -0.629 . . . . 0.0 109.3 -177.443 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -64.58 -31.19 72.3 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.538 -175.833 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -68.27 -40.76 87.36 Favored Glycine 0 N--CA 1.452 -0.237 0 C-N-CA 120.667 -0.777 . . . . 0.0 111.645 176.897 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 65' ' ' LEU . . . . . 0.443 HD22 ' HB2' ' B' ' 62' ' ' SER . 4.5 mm? -67.62 -38.11 83.45 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 110.086 -0.338 . . . . 0.0 110.086 177.192 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 66' ' ' ILE . . . . . 0.555 HG12 ' O ' ' B' ' 62' ' ' SER . 48.3 mm -66.43 -32.28 57.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 121.256 0.55 . . . . 0.0 110.322 176.721 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 67' ' ' ASN . . . . . . . . . . . . . 27.2 t-20 -62.34 -43.82 97.93 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.768 176.606 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 68' ' ' ARG . . . . . . . . . . . . . 42.3 ttm180 -85.26 -14.64 46.05 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.281 0.562 . . . . 0.0 110.491 -178.83 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 69' ' ' TRP . . . . . 0.505 ' NE1' HD11 ' A' ' 95' ' ' ILE . 14.0 t90 -57.11 -48.23 79.13 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.378 -0.828 . . . . 0.0 110.869 179.431 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . -78.08 -3.0 84.36 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.854 -0.689 . . . . 0.0 112.367 178.578 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 71' ' ' SER . . . . . . . . . . . . . 18.9 t -91.54 -14.07 30.97 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 109.68 -0.489 . . . . 0.0 109.68 178.37 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 72' ' ' VAL . . . . . . . . . . . . . 66.4 t -68.58 130.55 33.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 115.824 -0.625 . . . . 0.0 109.571 175.822 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 73' ' ' GLY . . . . . . . . . . . . . . . -60.77 121.95 28.21 Favored Glycine 0 N--CA 1.441 -0.971 0 N-CA-C 110.379 -1.089 . . . . 0.0 110.379 175.496 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 74' ' ' LYS . . . . . 0.497 ' O ' ' HG2' ' B' ' 78' ' ' MET . 11.8 ptmm? -59.56 -31.49 69.48 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.701 0.25 . . . . 0.0 111.203 -175.939 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 75' ' ' LYS . . . . . . . . . . . . . 51.2 tptt -64.36 -47.38 79.5 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.883 0.373 . . . . 0.0 110.203 173.646 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 76' ' ' GLU . . . . . 0.498 ' O ' HG13 ' B' ' 80' ' ' ILE . 26.7 tp10 -60.29 -44.52 95.3 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.697 -0.683 . . . . 0.0 109.716 177.602 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 77' ' ' ALA . . . . . 0.402 ' O ' HG12 ' B' ' 81' ' ' ILE . . . -57.3 -43.62 83.38 Favored 'General case' 0 N--CA 1.456 -0.146 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.785 178.296 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 78' ' ' MET . . . . . 0.497 ' HG2' ' O ' ' B' ' 74' ' ' LYS . 69.1 mmm -55.94 -42.29 75.95 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.675 177.669 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 79' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -73.31 -40.92 64.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.865 -179.685 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 80' ' ' ILE . . . . . 0.498 HG13 ' O ' ' B' ' 76' ' ' GLU . 90.3 mt -60.96 -50.76 79.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.524 178.227 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 81' ' ' ILE . . . . . 0.402 HG12 ' O ' ' B' ' 77' ' ' ALA . 46.0 mm -62.77 -36.49 75.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.039 -178.673 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 82' ' ' LYS . . . . . 0.407 ' O ' ' HD3' ' B' ' 86' ' ' LYS . 4.5 tmmm? -61.28 -53.65 54.08 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-O 120.986 0.422 . . . . 0.0 110.086 178.105 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 83' ' ' LYS . . . . . . . . . . . . . 14.7 ptmm? -72.42 -20.09 61.48 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.588 -177.873 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 84' ' ' PHE . . . . . 0.609 ' HA ' ' CZ ' ' A' ' 56' ' ' PHE . 1.8 t80 -67.84 -52.51 35.89 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.036 -0.529 . . . . 0.0 109.654 177.46 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 85' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -61.81 -39.95 93.56 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.979 -179.733 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 86' ' ' LYS . . . . . 0.407 ' HD3' ' O ' ' B' ' 82' ' ' LYS . 5.8 mptp? -64.62 -37.67 88.38 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.522 -179.643 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 87' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -72.73 -37.3 67.79 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.911 0.386 . . . . 0.0 109.964 178.733 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 88' ' ' LEU . . . . . 0.478 ' HG ' ' O ' ' B' ' 84' ' ' PHE . 94.2 mt -59.27 -43.89 92.46 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.868 -0.606 . . . . 0.0 110.161 175.067 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 89' ' ' ALA . . . . . 0.524 ' O ' ' HG3' ' B' ' 93' ' ' ARG . . . -61.3 -45.59 93.81 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.687 178.301 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 90' ' ' ALA . . . . . 0.587 ' O ' HG13 ' B' ' 94' ' ' ILE . . . -60.31 -50.95 71.61 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.843 178.881 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 91' ' ' MET . . . . . 0.428 ' O ' HG12 ' B' ' 95' ' ' ILE . 74.7 mtm -62.97 -35.63 80.8 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.922 -179.358 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 92' ' ' LEU . . . . . . . . . . . . . 58.0 tp -59.05 -47.49 85.03 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.498 176.09 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 93' ' ' ARG . . . . . 0.524 ' HG3' ' O ' ' B' ' 89' ' ' ALA . 21.7 mtm180 -61.04 -32.7 72.32 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.403 179.029 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 94' ' ' ILE . . . . . 0.631 ' O ' ' HG2' ' B' ' 98' ' ' ARG . 26.0 mt -72.2 -32.57 43.55 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.386 0 C-N-CA 120.816 -0.354 . . . . 0.0 110.672 178.564 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 95' ' ' ILE . . . . . 0.508 HD11 ' NE1' ' A' ' 69' ' ' TRP . 15.7 mm -56.43 -44.66 80.8 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.432 0 CA-C-O 121.485 0.659 . . . . 0.0 109.225 173.209 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 96' ' ' ASN . . . . . 0.415 ' HB2' ' O ' ' B' ' 93' ' ' ARG . 37.5 m-80 -57.11 -40.07 76.31 Favored 'General case' 0 C--O 1.235 0.334 0 CA-C-N 115.148 -0.933 . . . . 0.0 110.15 174.548 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 97' ' ' ALA . . . . . . . . . . . . . . . -78.59 -8.17 58.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.551 -0.749 . . . . 0.0 112.516 -177.577 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 98' ' ' ARG . . . . . 0.631 ' HG2' ' O ' ' B' ' 94' ' ' ILE . 31.6 mmm180 -81.6 -11.05 59.27 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.923 0.392 . . . . 0.0 110.276 178.826 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 99' ' ' LYS . . . . . . . . . . . . . 28.0 mtpp -109.87 -75.76 0.62 Allowed 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.387 -0.369 . . . . 0.0 110.81 178.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 100' ' ' GLU . . . . . . . . . . . . . 14.1 pt-20 -157.52 13.68 0.23 Allowed 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.474 -0.33 . . . . 0.0 111.165 -178.309 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 101' ' ' LYS . . . . . . . . . . . . . 95.4 mttt 58.79 46.39 14.19 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.413 -178.672 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 102' ' ' LYS . . . . . . . . . . . . . 25.0 ttmm -85.76 104.56 15.57 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.218 177.704 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 103' ' ' ARG . . . . . . . . . . . . . 7.0 mpt_? -85.31 121.11 27.57 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.928 0.394 . . . . 0.0 110.254 178.7 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 104' ' ' ARG . . . . . 0.673 ' HD3' ' O ' ' B' ' 104' ' ' ARG . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.045 0 CA-C-O 119.012 -0.518 . . . . 0.0 110.347 178.793 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.048 0 CA-C-O 120.911 0.386 . . . . 0.0 110.259 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -58.44 -31.81 67.29 Favored Glycine 0 N--CA 1.453 -0.208 0 CA-C-N 115.916 -0.584 . . . . 0.0 113.497 -174.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 89.8 mt -74.03 -22.27 59.63 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 120.721 0.296 . . . . 0.0 111.365 -177.758 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 89.5 mt -99.68 -33.55 10.56 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.939 0.399 . . . . 0.0 110.911 -177.517 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -87.47 -15.44 37.65 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.189 -179.532 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 78.71 15.43 80.78 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.813 -0.708 . . . . 0.0 112.061 -179.348 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 50.5 t-80 -123.1 101.9 7.67 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 109.988 -0.375 . . . . 0.0 109.988 -178.258 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -80.74 116.13 4.17 Favored Glycine 0 N--CA 1.445 -0.708 0 C-N-CA 120.625 -0.798 . . . . 0.0 111.734 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.555 ' O ' HG23 ' A' ' 47' ' ' VAL . 24.3 Cg_exo -64.94 165.25 21.93 Favored 'Trans proline' 0 C--N 1.344 0.303 0 C-N-CA 122.831 2.354 . . . . 0.0 111.696 176.322 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.416 HG13 ' HD3' ' A' ' 45' ' ' ARG . 12.1 pt -57.23 -35.09 47.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 N-CA-C 112.432 0.53 . . . . 0.0 112.432 -172.366 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . 0.416 ' HD3' HG13 ' A' ' 44' ' ' ILE . 0.1 OUTLIER -61.88 -48.85 78.64 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-O 121.166 0.507 . . . . 0.0 110.148 175.965 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' MET . . . . . 0.529 ' O ' HG13 ' A' ' 50' ' ' ILE . 55.3 ttm -62.75 -33.24 74.74 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.73 179.243 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.555 HG23 ' O ' ' A' ' 43' ' ' PRO . 97.0 t -59.51 -46.24 93.12 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.504 -0.316 . . . . 0.0 110.817 178.225 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 10.3 mp -65.56 -31.9 73.19 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.773 0.321 . . . . 0.0 110.951 177.742 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -67.32 -45.84 75.27 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.771 176.413 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.529 HG13 ' O ' ' A' ' 46' ' ' MET . 58.8 mt -65.92 -35.62 75.55 Favored 'Isoleucine or valine' 0 C--O 1.233 0.207 0 CA-C-O 121.226 0.536 . . . . 0.0 109.727 176.933 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.4 HD21 ' NE1' ' A' ' 69' ' ' TRP . 9.0 tp -57.1 -55.25 37.14 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.381 -0.827 . . . . 0.0 110.507 175.719 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -57.02 -36.22 70.18 Favored 'General case' 0 C--O 1.232 0.136 0 CA-C-O 121.148 0.499 . . . . 0.0 110.731 -179.767 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 89.2 t80 -60.18 -58.13 9.86 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.672 -0.695 . . . . 0.0 109.899 176.63 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 85.8 mt -69.86 -6.38 32.22 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.521 -179.268 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 29.1 tpt180 -92.45 -36.5 13.07 Favored 'General case' 0 N--CA 1.427 -1.623 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.882 -178.804 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 81.2 m-85 -103.85 -24.06 13.33 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 112.146 0.425 . . . . 0.0 112.146 -177.099 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 42.5 p -89.4 -27.18 20.6 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.255 0.55 . . . . 0.0 110.047 178.796 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -135.53 -179.55 5.71 Favored 'General case' 0 N--CA 1.449 -0.522 0 CA-C-N 115.495 -0.775 . . . . 0.0 110.859 -174.872 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 65.5 mt -119.85 129.85 74.91 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-N 115.902 -0.59 . . . . 0.0 109.507 176.404 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 26.2 tptp 66.99 92.19 0.07 OUTLIER Pre-proline 0 C--O 1.233 0.213 0 O-C-N 123.922 0.764 . . . . 0.0 110.962 -178.458 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 31.2 Cg_exo -60.18 150.33 80.16 Favored 'Trans proline' 0 C--O 1.237 0.473 0 C-N-CA 123.015 2.477 . . . . 0.0 112.36 178.543 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 16.4 m -59.96 142.9 52.96 Favored 'General case' 0 C--O 1.236 0.371 0 CA-C-N 115.442 -0.799 . . . . 0.0 111.282 -178.693 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 95.4 mt -60.15 -28.25 67.75 Favored 'General case' 0 C--O 1.223 -0.316 0 CA-C-N 114.997 -1.001 . . . . 0.0 112.668 -172.767 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -61.25 -43.48 99.33 Favored Glycine 0 C--O 1.237 0.29 0 C-N-CA 120.384 -0.912 . . . . 0.0 111.71 178.179 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.478 ' O ' ' HB2' ' A' ' 69' ' ' TRP . 3.9 mm? -67.76 -38.38 83.39 Favored 'General case' 0 C--O 1.22 -0.477 0 N-CA-C 109.882 -0.414 . . . . 0.0 109.882 176.639 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 50.8 mm -66.82 -38.0 80.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.339 -179.745 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 6.5 m120 -66.64 -37.83 85.64 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.376 -0.374 . . . . 0.0 111.119 178.718 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 34.7 ttm180 -83.45 -19.8 35.22 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.138 0.494 . . . . 0.0 110.193 177.878 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' TRP . . . . . 0.577 ' NE1' HD12 ' B' ' 95' ' ' ILE . 11.6 t90 -58.52 -48.87 79.42 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.317 -0.856 . . . . 0.0 110.324 177.032 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -75.83 -5.14 78.73 Favored Glycine 0 N--CA 1.451 -0.363 0 CA-C-N 115.824 -0.625 . . . . 0.0 112.363 176.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 24.9 t -92.39 -17.78 24.17 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 109.782 -0.451 . . . . 0.0 109.782 178.432 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 84.4 t -63.66 135.5 27.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.187 177.259 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -57.55 122.39 29.09 Favored Glycine 0 N--CA 1.438 -1.202 0 N-CA-C 110.285 -1.126 . . . . 0.0 110.285 173.743 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.567 ' O ' ' HG2' ' A' ' 78' ' ' MET . 48.4 mttp -60.72 -35.97 77.68 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-O 120.931 0.396 . . . . 0.0 110.164 -175.407 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 56.6 tptt -63.98 -45.15 90.32 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.416 -0.811 . . . . 0.0 110.379 174.458 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . 0.513 ' O ' HG13 ' A' ' 80' ' ' ILE . 4.0 tp10 -59.68 -47.47 85.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.531 -0.759 . . . . 0.0 109.81 178.399 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -54.97 -41.84 71.65 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.926 179.175 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' MET . . . . . 0.567 ' HG2' ' O ' ' A' ' 74' ' ' LYS . 64.1 mmm -57.66 -47.64 81.72 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.322 178.474 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 28.8 mt-10 -69.79 -37.18 76.23 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.847 -179.1 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . 0.513 HG13 ' O ' ' A' ' 76' ' ' GLU . 96.7 mt -61.69 -52.38 61.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.689 178.066 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . 0.411 HG13 ' HB2' ' B' ' 92' ' ' LEU . 45.6 mm -60.37 -37.03 72.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.904 -179.016 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 39.6 ttpt -61.83 -48.88 78.56 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.766 177.592 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 35.0 mmtp -69.96 -32.06 70.1 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.681 178.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . 0.472 ' O ' ' HG ' ' A' ' 88' ' ' LEU . 2.1 t80 -61.77 -52.59 63.61 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.812 -0.631 . . . . 0.0 109.818 179.435 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 99.7 mttt -59.61 -39.08 83.08 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.74 178.392 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 59.5 tttm -63.34 -42.23 98.92 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.805 -0.634 . . . . 0.0 111.192 -179.336 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -73.35 -33.87 65.32 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 110.018 -0.364 . . . . 0.0 110.018 -178.524 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.472 ' HG ' ' O ' ' A' ' 84' ' ' PHE . 90.8 mt -58.86 -42.55 89.68 Favored 'General case' 0 CA--C 1.52 -0.188 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.052 173.461 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . 0.485 ' O ' ' HG3' ' A' ' 93' ' ' ARG . . . -58.96 -44.1 91.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.687 177.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . 0.555 ' O ' HG13 ' A' ' 94' ' ' ILE . . . -61.43 -50.47 72.7 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.813 178.529 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 76.3 mtm -63.87 -35.08 79.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.181 -178.58 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 57.6 tp -59.59 -44.52 93.34 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.219 0.533 . . . . 0.0 110.589 176.293 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . 0.485 ' HG3' ' O ' ' A' ' 89' ' ' ALA . 20.7 mtm180 -67.01 -29.78 69.71 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.7 -179.588 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . 0.555 HG13 ' O ' ' A' ' 90' ' ' ALA . 45.2 mt -72.81 -33.03 42.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.719 -0.219 . . . . 0.0 110.86 177.733 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . 0.614 HD12 ' NE1' ' B' ' 69' ' ' TRP . 20.0 mm -57.87 -49.82 79.82 Favored 'Isoleucine or valine' 0 C--O 1.232 0.162 0 CA-C-O 121.538 0.685 . . . . 0.0 109.186 172.926 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 41.1 m-80 -67.55 -25.24 65.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.004 -0.998 . . . . 0.0 110.877 179.466 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -71.32 -12.54 61.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.056 0.455 . . . . 0.0 110.977 -179.844 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . 0.415 ' HG2' ' O ' ' A' ' 94' ' ' ILE . 26.3 mmt180 -85.87 4.24 38.17 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.98 0.419 . . . . 0.0 110.159 177.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 64.8 tttp -89.82 -24.8 21.34 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.92 -179.578 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 26.7 mm-40 60.42 47.79 8.42 Favored 'General case' 0 C--O 1.232 0.149 0 N-CA-C 109.026 -0.731 . . . . 0.0 109.026 -171.66 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 21.2 pttp -77.54 74.86 4.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.386 -0.825 . . . . 0.0 111.521 -174.469 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 21.2 ptmt -99.29 -4.17 32.43 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.077 -0.965 . . . . 0.0 109.829 176.83 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 52.8 ttp180 65.65 -92.38 0.03 OUTLIER 'General case' 0 CA--C 1.532 0.25 0 CA-C-N 115.026 -0.988 . . . . 0.0 110.75 -179.382 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 5.1 ptp180 . . . . . 0 C--O 1.248 0.976 0 CA-C-O 118.415 -0.802 . . . . 0.0 110.023 178.065 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 0.954 0 CA-C-O 121.027 0.442 . . . . 0.0 110.32 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 36' ' ' GLY . . . . . . . . . . . . . . . -58.13 -31.7 65.93 Favored Glycine 0 N--CA 1.452 -0.271 0 CA-C-N 115.83 -0.623 . . . . 0.0 113.644 -175.08 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 90.8 mt -74.27 -22.08 59.47 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 120.782 0.325 . . . . 0.0 111.294 -177.713 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 90.1 mt -99.84 -33.85 10.38 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.748 0.308 . . . . 0.0 110.89 -177.441 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -87.16 -15.62 37.83 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.255 -179.534 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . 78.98 15.84 79.93 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.862 -0.685 . . . . 0.0 111.939 -179.553 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 41' ' ' HIS . . . . . . . . . . . . . 50.6 t-80 -123.76 101.73 7.44 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 109.96 -0.385 . . . . 0.0 109.96 -178.251 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 42' ' ' GLY . . . . . . . . . . . . . . . -80.34 116.16 4.2 Favored Glycine 0 N--CA 1.445 -0.719 0 C-N-CA 120.664 -0.779 . . . . 0.0 111.88 179.732 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 43' ' ' PRO . . . . . 0.551 ' O ' HG23 ' B' ' 47' ' ' VAL . 24.0 Cg_exo -65.12 165.3 22.26 Favored 'Trans proline' 0 C--N 1.344 0.342 0 C-N-CA 122.842 2.362 . . . . 0.0 111.695 176.352 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . 0.423 HG13 ' HD3' ' B' ' 45' ' ' ARG . 12.6 pt -57.32 -35.01 47.51 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 N-CA-C 112.41 0.522 . . . . 0.0 112.41 -172.218 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 45' ' ' ARG . . . . . 0.423 ' HD3' HG13 ' B' ' 44' ' ' ILE . 0.1 OUTLIER -61.87 -48.82 78.78 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-O 121.181 0.515 . . . . 0.0 110.144 175.931 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 46' ' ' MET . . . . . 0.526 ' O ' HG13 ' B' ' 50' ' ' ILE . 55.5 ttm -62.95 -33.11 74.66 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.701 179.304 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 47' ' ' VAL . . . . . 0.551 HG23 ' O ' ' B' ' 43' ' ' PRO . 99.4 t -59.46 -46.28 92.94 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.493 -0.321 . . . . 0.0 110.807 178.019 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 10.3 mp -65.6 -31.81 73.05 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.796 0.332 . . . . 0.0 111.016 177.878 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -67.28 -46.01 74.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.749 176.389 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 50' ' ' ILE . . . . . 0.526 HG13 ' O ' ' B' ' 46' ' ' MET . 58.4 mt -65.82 -35.59 75.51 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-O 121.211 0.529 . . . . 0.0 109.723 176.861 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 51' ' ' LEU . . . . . 0.41 HD21 ' NE1' ' B' ' 69' ' ' TRP . 9.0 tp -57.18 -55.24 37.26 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.394 -0.821 . . . . 0.0 110.474 175.774 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -57.04 -36.19 70.19 Favored 'General case' 0 C--O 1.231 0.13 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.736 -179.789 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 53' ' ' PHE . . . . . . . . . . . . . 89.4 t80 -60.27 -58.05 10.19 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.674 -0.694 . . . . 0.0 109.864 176.661 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 54' ' ' LEU . . . . . . . . . . . . . 85.6 mt -69.83 -6.39 32.12 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.575 -179.329 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 55' ' ' ARG . . . . . . . . . . . . . 29.2 tpt180 -92.44 -36.56 13.04 Favored 'General case' 0 N--CA 1.426 -1.628 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.966 -178.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 56' ' ' PHE . . . . . . . . . . . . . 81.0 m-85 -103.72 -24.14 13.37 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 112.12 0.415 . . . . 0.0 112.12 -176.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 57' ' ' THR . . . . . . . . . . . . . 41.2 p -89.33 -27.37 20.55 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.122 0.487 . . . . 0.0 109.999 178.823 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -135.59 179.78 6.12 Favored 'General case' 0 N--CA 1.449 -0.512 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.831 -174.739 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 59' ' ' ILE . . . . . . . . . . . . . 65.0 mt -119.12 130.06 74.38 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 CA-C-N 115.944 -0.571 . . . . 0.0 109.58 176.278 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 26.3 tptp 67.0 92.36 0.07 OUTLIER Pre-proline 0 CA--C 1.53 0.21 0 O-C-N 123.938 0.774 . . . . 0.0 110.96 -178.453 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 61' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_exo -60.35 150.13 82.14 Favored 'Trans proline' 0 C--O 1.236 0.385 0 C-N-CA 122.942 2.428 . . . . 0.0 112.189 178.436 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 14.5 m -60.12 143.15 52.93 Favored 'General case' 0 C--O 1.237 0.396 0 CA-C-N 115.346 -0.843 . . . . 0.0 111.297 -178.612 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 95.3 mt -60.45 -28.18 68.11 Favored 'General case' 0 C--O 1.225 -0.223 0 CA-C-N 115.01 -0.995 . . . . 0.0 112.707 -172.321 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -61.78 -43.23 99.51 Favored Glycine 0 C--O 1.236 0.281 0 C-N-CA 120.381 -0.914 . . . . 0.0 111.651 178.465 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 65' ' ' LEU . . . . . 0.48 ' O ' ' HB2' ' B' ' 69' ' ' TRP . 3.9 mm? -67.54 -38.42 84.17 Favored 'General case' 0 C--O 1.221 -0.441 0 N-CA-C 109.849 -0.426 . . . . 0.0 109.849 176.474 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 66' ' ' ILE . . . . . . . . . . . . . 50.7 mm -66.98 -37.95 80.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.407 -179.709 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 67' ' ' ASN . . . . . . . . . . . . . 6.5 m120 -66.6 -37.73 85.5 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.33 -0.396 . . . . 0.0 111.178 178.546 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 68' ' ' ARG . . . . . . . . . . . . . 34.6 ttm180 -83.61 -19.95 34.57 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.11 0.481 . . . . 0.0 110.048 177.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 69' ' ' TRP . . . . . 0.614 ' NE1' HD12 ' A' ' 95' ' ' ILE . 11.4 t90 -58.47 -48.67 79.98 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.284 -0.871 . . . . 0.0 110.281 177.035 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . -76.5 -4.38 80.3 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.895 -0.669 . . . . 0.0 112.258 177.085 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 71' ' ' SER . . . . . . . . . . . . . 26.0 t -92.49 -18.21 23.49 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 109.635 -0.505 . . . . 0.0 109.635 178.222 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 72' ' ' VAL . . . . . . . . . . . . . 85.8 t -63.49 135.81 27.07 Favored 'Isoleucine or valine' 0 C--O 1.235 0.3 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.137 177.579 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 73' ' ' GLY . . . . . . . . . . . . . . . -58.0 122.41 29.44 Favored Glycine 0 N--CA 1.44 -1.06 0 N-CA-C 110.328 -1.109 . . . . 0.0 110.328 173.856 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 74' ' ' LYS . . . . . 0.561 ' O ' ' HG2' ' B' ' 78' ' ' MET . 48.2 mttp -60.79 -35.91 77.65 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-O 120.988 0.423 . . . . 0.0 110.054 -175.145 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 75' ' ' LYS . . . . . . . . . . . . . 56.8 tptt -63.98 -45.22 90.06 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.394 -0.821 . . . . 0.0 110.399 174.485 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 76' ' ' GLU . . . . . 0.531 ' O ' HG13 ' B' ' 80' ' ' ILE . 4.0 tp10 -59.49 -47.33 85.9 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.559 -0.746 . . . . 0.0 109.892 178.296 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 77' ' ' ALA . . . . . . . . . . . . . . . -55.23 -41.69 72.42 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.997 179.235 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 78' ' ' MET . . . . . 0.561 ' HG2' ' O ' ' B' ' 74' ' ' LYS . 63.3 mmm -57.71 -47.49 82.24 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.351 178.453 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 79' ' ' GLU . . . . . . . . . . . . . 29.9 mt-10 -69.81 -37.31 76.22 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.544 -0.753 . . . . 0.0 110.769 -179.123 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 80' ' ' ILE . . . . . 0.531 HG13 ' O ' ' B' ' 76' ' ' GLU . 97.0 mt -61.84 -52.28 62.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.706 178.276 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 81' ' ' ILE . . . . . . . . . . . . . 45.8 mm -60.42 -36.8 71.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.934 -179.155 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 82' ' ' LYS . . . . . . . . . . . . . 39.7 ttpt -62.0 -48.92 78.16 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.709 177.524 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 83' ' ' LYS . . . . . . . . . . . . . 34.9 mmtp -70.08 -31.85 69.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.732 179.03 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 84' ' ' PHE . . . . . 0.473 ' O ' ' HG ' ' B' ' 88' ' ' LEU . 2.1 t80 -61.78 -52.63 63.43 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.787 -0.642 . . . . 0.0 109.748 179.375 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 85' ' ' LYS . . . . . . . . . . . . . 99.7 mttt -59.9 -38.73 83.13 Favored 'General case' 0 C--O 1.233 0.218 0 CA-C-N 115.916 -0.583 . . . . 0.0 110.75 178.522 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 86' ' ' LYS . . . . . . . . . . . . . 59.4 tttm -63.41 -42.59 98.76 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.874 -0.603 . . . . 0.0 111.153 -179.591 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 87' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -72.86 -34.1 66.52 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.826 0.346 . . . . 0.0 110.103 -178.495 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 88' ' ' LEU . . . . . 0.473 ' HG ' ' O ' ' B' ' 84' ' ' PHE . 91.2 mt -58.75 -42.57 89.16 Favored 'General case' 0 CA--C 1.521 -0.155 0 CA-C-N 115.927 -0.578 . . . . 0.0 110.021 173.531 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 89' ' ' ALA . . . . . 0.489 ' O ' ' HG3' ' B' ' 93' ' ' ARG . . . -59.03 -44.12 91.7 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.582 -0.736 . . . . 0.0 110.563 178.072 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 90' ' ' ALA . . . . . 0.553 ' O ' HG13 ' B' ' 94' ' ' ILE . . . -61.55 -50.41 72.76 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.77 178.66 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 91' ' ' MET . . . . . . . . . . . . . 75.8 mtm -63.88 -35.13 79.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.168 -178.616 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 92' ' ' LEU . . . . . 0.411 ' HB2' HG13 ' A' ' 81' ' ' ILE . 57.4 tp -59.41 -44.65 92.8 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.207 0.527 . . . . 0.0 110.626 176.372 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 93' ' ' ARG . . . . . 0.489 ' HG3' ' O ' ' B' ' 89' ' ' ALA . 20.7 mtm180 -66.77 -30.22 70.37 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.675 -179.455 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 94' ' ' ILE . . . . . 0.553 HG13 ' O ' ' B' ' 90' ' ' ALA . 45.1 mt -72.43 -33.09 44.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.61 -0.268 . . . . 0.0 110.913 177.761 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 95' ' ' ILE . . . . . 0.577 HD12 ' NE1' ' A' ' 69' ' ' TRP . 19.9 mm -57.87 -50.0 79.2 Favored 'Isoleucine or valine' 0 C--O 1.232 0.183 0 CA-C-O 121.645 0.736 . . . . 0.0 109.1 172.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 96' ' ' ASN . . . . . . . . . . . . . 42.0 m-80 -67.49 -25.44 65.86 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 114.978 -1.01 . . . . 0.0 110.934 179.49 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 97' ' ' ALA . . . . . . . . . . . . . . . -70.94 -13.07 61.88 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.924 0.392 . . . . 0.0 110.91 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 98' ' ' ARG . . . . . 0.426 ' HG2' ' O ' ' B' ' 94' ' ' ILE . 26.5 mmt180 -85.45 4.59 34.91 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.983 0.421 . . . . 0.0 110.176 178.067 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 99' ' ' LYS . . . . . . . . . . . . . 64.9 tttp -90.35 -24.32 20.86 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.77 -179.563 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 100' ' ' GLU . . . . . . . . . . . . . 32.2 mm-40 60.23 47.53 9.12 Favored 'General case' 0 C--O 1.232 0.164 0 N-CA-C 109.071 -0.714 . . . . 0.0 109.071 -171.742 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 101' ' ' LYS . . . . . . . . . . . . . 21.2 pttp -77.16 74.8 3.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.388 -0.824 . . . . 0.0 111.533 -174.094 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 102' ' ' LYS . . . . . . . . . . . . . 21.2 ptmt -99.2 -4.42 32.1 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.206 -0.906 . . . . 0.0 109.895 177.174 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 103' ' ' ARG . . . . . . . . . . . . . 52.8 ttp180 65.64 -92.88 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 114.945 -1.025 . . . . 0.0 110.571 -179.152 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 104' ' ' ARG . . . . . . . . . . . . . 5.2 ptp180 . . . . . 0 C--O 1.246 0.895 0 CA-C-O 118.379 -0.819 . . . . 0.0 109.838 178.046 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 0.851 0 CA-C-O 120.998 0.427 . . . . 0.0 110.229 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -59.92 -34.2 82.06 Favored Glycine 0 N--CA 1.452 -0.294 0 CA-C-N 115.921 -0.581 . . . . 0.0 113.13 -176.464 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 8.5 mp -76.5 -20.16 57.23 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 120.821 0.343 . . . . 0.0 110.835 -177.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 58.7 tp -90.99 -49.62 6.32 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.88 0.372 . . . . 0.0 110.524 -178.493 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -81.86 -18.1 45.02 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.36 -176.521 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 87.21 5.26 80.24 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.716 -0.754 . . . . 0.0 111.719 -178.129 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 12.1 m170 -95.06 88.38 5.21 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 109.63 -0.507 . . . . 0.0 109.63 -179.554 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -73.7 132.0 15.17 Favored Glycine 0 N--CA 1.445 -0.712 0 C-N-CA 120.636 -0.792 . . . . 0.0 112.783 -175.837 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.623 ' HD2' ' SD ' ' A' ' 46' ' ' MET . 37.6 Cg_endo -66.69 176.8 3.93 Favored 'Trans proline' 0 C--N 1.343 0.272 0 C-N-CA 122.632 2.221 . . . . 0.0 111.497 175.049 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 23.0 pt -52.54 -38.85 27.56 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.381 0 N-CA-C 112.275 0.472 . . . . 0.0 112.275 -172.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 39.4 mtp180 -54.81 -53.68 52.09 Favored 'General case' 0 N--CA 1.463 0.199 0 CA-C-O 121.39 0.614 . . . . 0.0 110.949 175.35 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' MET . . . . . 0.623 ' SD ' ' HD2' ' A' ' 43' ' ' PRO . 85.0 mtp -70.95 -19.49 62.56 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.449 -0.796 . . . . 0.0 111.156 -176.534 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.521 HG21 ' O ' ' A' ' 43' ' ' PRO . 97.1 t -67.17 -46.93 83.15 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.187 0 N-CA-C 110.131 -0.322 . . . . 0.0 110.131 176.804 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -65.29 -34.67 78.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.487 -0.324 . . . . 0.0 110.355 176.153 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -64.69 -52.48 56.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.559 178.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 14.4 tt -68.52 -28.77 41.59 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-O 120.954 0.407 . . . . 0.0 110.308 -179.522 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.567 ' O ' ' HG2' ' A' ' 55' ' ' ARG . 13.6 tp -62.53 -53.72 50.46 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.059 176.124 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . 0.451 ' HB3' ' CZ ' ' B' ' 84' ' ' PHE . . . -54.59 -41.04 69.43 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.76 -0.655 . . . . 0.0 110.502 179.011 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 84.7 t80 -57.93 -57.61 12.04 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.626 -0.715 . . . . 0.0 109.842 173.457 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 96.0 mt -71.03 7.3 1.24 Allowed 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 112.478 0.547 . . . . 0.0 112.478 -177.787 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.567 ' HG2' ' O ' ' A' ' 51' ' ' LEU . 14.6 mmm180 -111.99 -46.18 3.24 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 121.862 -0.524 . . . . 0.0 111.591 172.519 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 4.7 t80 -79.23 -15.76 57.54 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.905 0.383 . . . . 0.0 110.563 -178.059 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 43.5 p -98.45 5.56 47.96 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 109.807 -0.442 . . . . 0.0 109.807 174.06 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . 0.489 ' O ' ' HB ' ' A' ' 59' ' ' ILE . . . 65.87 -158.2 0.27 Allowed 'General case' 0 N--CA 1.462 0.14 0 CA-C-N 115.004 -0.998 . . . . 0.0 110.282 -172.165 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.489 ' HB ' ' O ' ' A' ' 58' ' ' ALA . 79.8 mt 76.67 141.15 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.465 0.281 0 O-C-N 123.51 0.506 . . . . 0.0 110.097 -176.38 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 64.3 tttp -79.35 117.55 67.66 Favored Pre-proline 0 C--N 1.324 -0.53 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.135 178.581 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 34.9 Cg_exo -60.36 123.63 13.5 Favored 'Trans proline' 0 N--CA 1.461 -0.427 0 C-N-CA 122.375 2.05 . . . . 0.0 111.184 177.078 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 13.5 m -56.94 146.84 25.48 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.973 -178.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 85.4 mt -61.34 -22.09 64.6 Favored 'General case' 0 C--O 1.225 -0.226 0 CA-C-N 115.405 -0.816 . . . . 0.0 112.536 -171.277 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -59.88 -44.29 97.23 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.222 -0.99 . . . . 0.0 111.141 174.414 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -69.33 -40.67 77.46 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 109.908 -0.404 . . . . 0.0 109.908 177.686 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.492 ' O ' ' HB3' ' A' ' 69' ' ' TRP . 48.8 mm -63.67 -34.96 71.05 Favored 'Isoleucine or valine' 0 C--O 1.236 0.38 0 CA-C-O 121.287 0.565 . . . . 0.0 110.913 179.376 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 2.0 m120 -66.89 -40.88 87.88 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.837 -0.619 . . . . 0.0 110.991 177.24 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 55.5 mtt180 -74.9 -31.48 61.58 Favored 'General case' 0 CA--C 1.519 -0.219 0 CA-C-O 121.202 0.525 . . . . 0.0 109.762 178.11 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' TRP . . . . . 0.611 ' CD1' HD12 ' B' ' 95' ' ' ILE . 45.0 t90 -53.1 -56.41 16.47 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 114.714 -1.13 . . . . 0.0 110.599 176.014 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -74.43 -5.03 71.37 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 121.082 -0.58 . . . . 0.0 113.179 177.707 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 72.7 m -84.33 -17.22 40.2 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.991 0.396 . . . . 0.0 110.557 177.348 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 14.2 t -71.32 127.85 33.76 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 N-CA-C 108.679 -0.86 . . . . 0.0 108.679 175.04 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . 0.456 ' O ' ' N ' ' A' ' 75' ' ' LYS . . . -77.55 44.9 2.3 Favored Glycine 0 CA--C 1.521 0.421 0 CA-C-O 119.359 -0.689 . . . . 0.0 114.398 -170.715 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.41 ' HA ' ' CG2' ' B' ' 95' ' ' ILE . 19.8 ptmt 49.72 -60.87 0.0 OUTLIER 'General case' 0 N--CA 1.484 1.272 0 C-N-CA 125.946 1.698 . . . . 0.0 115.334 177.485 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.469 ' HD3' ' C ' ' A' ' 75' ' ' LYS . 1.2 tmtp? -54.66 -52.92 60.83 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.439 0.638 . . . . 0.0 109.755 177.658 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 13.4 tp10 -50.93 -44.37 60.25 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 114.8 -1.091 . . . . 0.0 110.993 173.604 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -61.4 -37.06 82.1 Favored 'General case' 0 C--O 1.226 -0.174 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.733 179.8 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 65.0 mtt -59.63 -43.86 93.67 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.298 177.555 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -65.69 -42.84 90.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.699 176.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 88.6 mt -60.03 -54.21 37.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.793 179.06 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 46.8 mm -66.17 -35.86 76.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 116.035 -0.53 . . . . 0.0 111.334 -177.793 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 23.8 tptm -62.54 -48.81 77.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.856 0.36 . . . . 0.0 110.635 179.537 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 39.0 ttpt -70.29 -28.35 65.12 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.198 0.523 . . . . 0.0 110.245 179.772 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . 0.517 ' O ' ' HG ' ' A' ' 88' ' ' LEU . 14.5 t80 -64.88 -51.43 62.02 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.484 -0.78 . . . . 0.0 109.969 175.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . 0.415 ' HA ' HD11 ' A' ' 88' ' ' LEU . 98.5 mttt -58.88 -33.22 70.25 Favored 'General case' 0 C--O 1.232 0.184 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.053 175.776 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 27.1 tptp -64.54 -45.24 87.99 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.794 179.01 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -68.52 -36.68 79.19 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.051 0.453 . . . . 0.0 110.133 179.525 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.517 ' HG ' ' O ' ' A' ' 84' ' ' PHE . 93.2 mt -62.71 -42.14 99.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.75 177.136 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -60.26 -47.46 85.91 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.664 178.602 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . 0.596 ' O ' HG13 ' A' ' 94' ' ' ILE . . . -62.08 -45.56 92.97 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.719 178.685 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 6.2 tpt -64.16 -39.22 93.54 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.519 -177.265 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.414 ' O ' ' HB ' ' A' ' 95' ' ' ILE . 53.3 tp -60.05 -39.63 86.6 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.598 175.919 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . 0.471 ' HA ' ' ND2' ' A' ' 96' ' ' ASN . 94.2 mtt180 -71.5 -22.13 61.83 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.013 -0.539 . . . . 0.0 111.224 -179.618 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . 0.596 HG13 ' O ' ' A' ' 90' ' ' ALA . 11.4 mt -78.47 -28.81 14.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 C-N-CA 120.492 -0.483 . . . . 0.0 109.794 173.209 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . 0.607 HD12 ' CD1' ' B' ' 69' ' ' TRP . 19.0 mm -60.61 -39.95 83.07 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.248 0 N-CA-C 109.231 -0.655 . . . . 0.0 109.231 170.404 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' ASN . . . . . 0.471 ' ND2' ' HA ' ' A' ' 93' ' ' ARG . 79.4 m-20 -59.76 -44.8 93.68 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.486 -0.779 . . . . 0.0 109.551 174.101 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -72.33 2.01 6.83 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.816 -0.629 . . . . 0.0 112.261 -179.691 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . 0.536 ' HG2' ' O ' ' A' ' 94' ' ' ILE . 5.6 mmp_? -81.97 -19.85 39.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.675 0.274 . . . . 0.0 110.529 176.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . 0.437 ' HG3' ' O ' ' A' ' 101' ' ' LYS . 48.2 tptt -157.87 -48.69 0.06 Allowed 'General case' 0 C--N 1.329 -0.318 0 C-N-CA 120.915 -0.314 . . . . 0.0 111.322 -175.36 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . 0.516 ' HA ' ' OE1' ' A' ' 100' ' ' GLU . 3.6 mm-40 72.85 -42.05 0.52 Allowed 'General case' 0 N--CA 1.468 0.446 0 C-N-CA 123.825 0.85 . . . . 0.0 112.048 -176.363 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . 0.437 ' O ' ' HG3' ' A' ' 99' ' ' LYS . 24.5 pttm -152.93 137.53 16.86 Favored 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 109.713 -0.477 . . . . 0.0 109.713 -179.79 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 14.1 ptmm? -135.96 22.49 3.29 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 121.089 0.471 . . . . 0.0 110.355 -176.864 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 99.9 mtt180 -122.5 2.22 9.6 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.799 -0.637 . . . . 0.0 111.186 -178.284 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 . . . . . 0 C--O 1.249 1.028 0 CA-C-O 118.447 -0.787 . . . . 0.0 110.322 -177.654 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 0.934 0 CA-C-O 120.997 0.427 . . . . 0.0 110.461 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 36' ' ' GLY . . . . . . . . . . . . . . . -59.88 -34.64 83.78 Favored Glycine 0 N--CA 1.451 -0.308 0 CA-C-N 115.929 -0.578 . . . . 0.0 113.036 -176.38 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 8.6 mp -76.03 -20.12 58.07 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 120.881 0.372 . . . . 0.0 110.9 -177.847 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 58.8 tp -91.31 -49.46 6.34 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.931 0.396 . . . . 0.0 110.546 -178.25 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -81.9 -18.55 43.31 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.299 -176.709 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . 87.65 5.11 78.89 Favored Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.67 -0.776 . . . . 0.0 111.717 -178.215 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 41' ' ' HIS . . . . . . . . . . . . . 12.0 m170 -94.72 88.61 5.43 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 109.582 -0.525 . . . . 0.0 109.582 -179.618 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 42' ' ' GLY . . . . . . . . . . . . . . . -74.0 132.14 14.89 Favored Glycine 0 N--CA 1.445 -0.728 0 C-N-CA 120.636 -0.792 . . . . 0.0 112.726 -175.816 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 43' ' ' PRO . . . . . 0.642 ' HD2' ' SD ' ' B' ' 46' ' ' MET . 38.2 Cg_endo -66.92 176.71 4.18 Favored 'Trans proline' 0 C--N 1.343 0.264 0 C-N-CA 122.682 2.255 . . . . 0.0 111.432 175.064 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 23.4 pt -52.36 -38.87 26.52 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.415 0 N-CA-C 112.322 0.49 . . . . 0.0 112.322 -173.025 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 39.6 mtp180 -54.94 -53.53 54.45 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-O 121.438 0.637 . . . . 0.0 110.9 175.408 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 46' ' ' MET . . . . . 0.642 ' SD ' ' HD2' ' B' ' 43' ' ' PRO . 85.3 mtp -71.08 -19.55 62.46 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.489 -0.778 . . . . 0.0 111.131 -176.496 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 47' ' ' VAL . . . . . 0.53 HG21 ' O ' ' B' ' 43' ' ' PRO . 96.9 t -67.13 -46.96 83.18 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.191 0 N-CA-C 110.059 -0.349 . . . . 0.0 110.059 176.898 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -65.28 -34.72 79.01 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.817 0.341 . . . . 0.0 110.431 176.144 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -64.56 -52.68 56.39 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.527 178.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 50' ' ' ILE . . . . . . . . . . . . . 14.4 tt -68.31 -28.75 41.86 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.183 0 CA-C-O 120.898 0.38 . . . . 0.0 110.371 -179.549 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 51' ' ' LEU . . . . . 0.572 ' O ' ' HG2' ' B' ' 55' ' ' ARG . 13.6 tp -62.51 -53.67 51.33 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.043 176.108 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 52' ' ' ALA . . . . . 0.435 ' HB3' ' CZ ' ' A' ' 84' ' ' PHE . . . -54.73 -40.87 69.72 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.53 179.083 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 53' ' ' PHE . . . . . . . . . . . . . 84.9 t80 -58.02 -57.59 12.14 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.618 -0.719 . . . . 0.0 109.916 173.385 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 54' ' ' LEU . . . . . . . . . . . . . 95.9 mt -70.95 7.14 1.25 Allowed 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 112.466 0.543 . . . . 0.0 112.466 -177.797 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 55' ' ' ARG . . . . . 0.572 ' HG2' ' O ' ' B' ' 51' ' ' LEU . 14.6 mmm180 -111.88 -46.39 3.24 Favored 'General case' 0 C--N 1.323 -0.563 0 O-C-N 121.864 -0.522 . . . . 0.0 111.516 172.61 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 56' ' ' PHE . . . . . . . . . . . . . 4.8 t80 -78.99 -15.9 57.64 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 120.889 0.376 . . . . 0.0 110.533 -177.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 57' ' ' THR . . . . . . . . . . . . . 43.6 p -98.25 5.57 48.25 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 109.791 -0.448 . . . . 0.0 109.791 174.16 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 58' ' ' ALA . . . . . 0.503 ' O ' ' HB ' ' B' ' 59' ' ' ILE . . . 65.68 -158.17 0.27 Allowed 'General case' 0 N--CA 1.461 0.116 0 CA-C-N 115.114 -0.948 . . . . 0.0 110.304 -171.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 59' ' ' ILE . . . . . 0.503 ' HB ' ' O ' ' B' ' 58' ' ' ALA . 80.2 mt 76.65 141.29 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.463 0.218 0 O-C-N 123.561 0.538 . . . . 0.0 110.125 -176.207 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 64.2 tttp -79.57 117.99 70.08 Favored Pre-proline 0 C--N 1.324 -0.536 0 N-CA-C 109.937 -0.394 . . . . 0.0 109.937 178.688 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 61' ' ' PRO . . . . . . . . . . . . . 33.7 Cg_exo -60.57 123.44 13.05 Favored 'Trans proline' 0 N--CA 1.462 -0.358 0 C-N-CA 122.337 2.024 . . . . 0.0 111.31 176.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 13.2 m -56.71 147.04 23.85 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.013 -178.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 85.4 mt -61.45 -22.15 64.79 Favored 'General case' 0 CA--C 1.52 -0.2 0 CA-C-N 115.409 -0.814 . . . . 0.0 112.622 -171.315 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -59.8 -44.53 96.94 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.207 -0.996 . . . . 0.0 111.069 174.557 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -68.9 -41.02 78.79 Favored 'General case' 0 C--O 1.223 -0.322 0 N-CA-C 109.96 -0.385 . . . . 0.0 109.96 177.721 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 66' ' ' ILE . . . . . 0.466 ' O ' ' HB3' ' B' ' 69' ' ' TRP . 49.3 mm -63.36 -34.97 70.37 Favored 'Isoleucine or valine' 0 C--O 1.236 0.35 0 CA-C-O 121.315 0.579 . . . . 0.0 110.909 179.324 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 67' ' ' ASN . . . . . . . . . . . . . 2.0 m120 -67.0 -40.58 87.38 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.987 177.31 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 68' ' ' ARG . . . . . . . . . . . . . 55.3 mtt180 -75.24 -31.15 60.73 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.182 0.515 . . . . 0.0 109.681 178.209 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 69' ' ' TRP . . . . . 0.607 ' CD1' HD12 ' A' ' 95' ' ' ILE . 45.1 t90 -53.54 -56.39 17.45 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 114.741 -1.118 . . . . 0.0 110.534 176.112 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . -74.37 -4.52 69.46 Favored Glycine 0 CA--C 1.52 0.405 0 CA-C-N 115.951 -0.568 . . . . 0.0 113.198 177.396 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 71' ' ' SER . . . . . . . . . . . . . 74.4 m -84.88 -17.17 38.75 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 117.06 0.43 . . . . 0.0 110.497 177.052 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 72' ' ' VAL . . . . . . . . . . . . . 14.4 t -71.29 128.06 33.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 N-CA-C 108.604 -0.888 . . . . 0.0 108.604 175.149 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 73' ' ' GLY . . . . . 0.457 ' O ' ' N ' ' B' ' 75' ' ' LYS . . . -77.59 45.07 2.34 Favored Glycine 0 C--O 1.225 -0.454 0 CA-C-O 119.336 -0.702 . . . . 0.0 114.431 -170.895 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 74' ' ' LYS . . . . . 0.409 ' HA ' ' CG2' ' A' ' 95' ' ' ILE . 19.8 ptmt 49.67 -61.15 0.0 OUTLIER 'General case' 0 N--CA 1.484 1.226 0 C-N-CA 125.923 1.689 . . . . 0.0 115.329 177.458 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 75' ' ' LYS . . . . . 0.486 ' C ' ' HD3' ' B' ' 75' ' ' LYS . 1.2 tmtp? -54.52 -52.69 61.21 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.402 0.62 . . . . 0.0 109.709 177.694 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 13.5 tp10 -51.21 -44.27 61.58 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 114.777 -1.101 . . . . 0.0 110.939 173.796 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 77' ' ' ALA . . . . . . . . . . . . . . . -61.51 -36.67 81.17 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.726 179.863 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 78' ' ' MET . . . . . . . . . . . . . 66.1 mtt -60.02 -43.94 94.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.335 177.529 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 79' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -65.6 -42.88 91.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.669 176.882 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 80' ' ' ILE . . . . . . . . . . . . . 88.1 mt -59.89 -54.41 35.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.812 178.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 81' ' ' ILE . . . . . . . . . . . . . 46.9 mm -66.08 -36.06 76.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.29 -177.727 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 82' ' ' LYS . . . . . . . . . . . . . 23.8 tptm -62.32 -48.9 77.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.908 0.385 . . . . 0.0 110.679 179.462 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 83' ' ' LYS . . . . . . . . . . . . . 39.1 ttpt -70.18 -28.2 65.13 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.175 0.512 . . . . 0.0 110.222 179.825 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 84' ' ' PHE . . . . . 0.518 ' O ' ' HG ' ' B' ' 88' ' ' LEU . 14.6 t80 -65.01 -51.18 63.07 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.488 -0.778 . . . . 0.0 109.91 176.089 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 85' ' ' LYS . . . . . 0.423 ' HA ' HD11 ' B' ' 88' ' ' LEU . 98.4 mttt -59.0 -33.48 70.75 Favored 'General case' 0 N--CA 1.462 0.143 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.065 175.91 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 86' ' ' LYS . . . . . . . . . . . . . 27.1 tptp -64.28 -45.38 88.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.792 178.895 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 87' ' ' ASP . . . . . . . . . . . . . 35.6 t70 -68.45 -36.64 79.31 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.983 0.421 . . . . 0.0 110.093 179.562 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 88' ' ' LEU . . . . . 0.518 ' HG ' ' O ' ' B' ' 84' ' ' PHE . 93.6 mt -62.76 -42.12 99.53 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.703 177.224 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -60.22 -47.73 84.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.702 178.604 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 90' ' ' ALA . . . . . 0.581 ' O ' HG13 ' B' ' 94' ' ' ILE . . . -61.72 -45.77 92.55 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.72 178.542 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 91' ' ' MET . . . . . . . . . . . . . 6.2 tpt -64.02 -39.19 93.54 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.497 -177.162 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 92' ' ' LEU . . . . . 0.406 ' O ' ' HB ' ' B' ' 95' ' ' ILE . 53.2 tp -60.13 -39.52 86.57 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.59 176.017 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 93' ' ' ARG . . . . . 0.473 ' HA ' ' ND2' ' B' ' 96' ' ' ASN . 94.4 mtt180 -71.61 -22.11 61.75 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.144 -179.519 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 94' ' ' ILE . . . . . 0.581 HG13 ' O ' ' B' ' 90' ' ' ALA . 11.2 mt -78.44 -28.83 14.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 N-CA-C 109.745 -0.465 . . . . 0.0 109.745 173.29 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 95' ' ' ILE . . . . . 0.611 HD12 ' CD1' ' A' ' 69' ' ' TRP . 19.2 mm -60.6 -39.94 83.01 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.211 0 N-CA-C 109.246 -0.65 . . . . 0.0 109.246 170.437 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 96' ' ' ASN . . . . . 0.473 ' ND2' ' HA ' ' B' ' 93' ' ' ARG . 80.1 m-20 -59.77 -44.74 93.74 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.431 -0.804 . . . . 0.0 109.512 174.101 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 97' ' ' ALA . . . . . . . . . . . . . . . -72.26 1.86 6.99 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.814 -0.63 . . . . 0.0 112.258 -179.64 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 98' ' ' ARG . . . . . 0.526 ' HG2' ' O ' ' B' ' 94' ' ' ILE . 5.6 mmp_? -82.09 -19.58 39.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.646 0.26 . . . . 0.0 110.631 177.035 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 99' ' ' LYS . . . . . 0.44 ' O ' ' HB2' ' B' ' 100' ' ' GLU . 48.0 tptt -158.0 -49.25 0.06 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.489 -0.323 . . . . 0.0 111.152 -175.498 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 100' ' ' GLU . . . . . 0.497 ' HA ' ' OE1' ' B' ' 100' ' ' GLU . 3.6 mm-40 73.2 -41.95 0.51 Allowed 'General case' 0 N--CA 1.468 0.452 0 C-N-CA 123.853 0.861 . . . . 0.0 111.931 -176.223 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 101' ' ' LYS . . . . . 0.439 ' O ' ' HG3' ' B' ' 99' ' ' LYS . 24.6 pttm -153.01 137.65 16.9 Favored 'General case' 0 C--N 1.319 -0.726 0 N-CA-C 109.577 -0.527 . . . . 0.0 109.577 -179.872 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 102' ' ' LYS . . . . . . . . . . . . . 14.1 ptmm? -136.13 22.67 3.26 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-O 121.164 0.507 . . . . 0.0 110.347 -176.896 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 103' ' ' ARG . . . . . . . . . . . . . 99.9 mtt180 -122.18 1.26 9.7 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.751 -0.659 . . . . 0.0 111.207 -178.528 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 104' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 . . . . . 0 C--O 1.251 1.136 0 CA-C-O 118.71 -0.662 . . . . 0.0 110.358 -177.504 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.411 ' O ' ' HB2' ' A' ' 39' ' ' LEU . . . . . . . . 0 N--CA 1.479 1.001 0 CA-C-O 120.747 0.308 . . . . 0.0 110.485 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 73.42 -175.4 46.36 Favored Glycine 0 N--CA 1.443 -0.842 0 C-N-CA 119.633 -1.27 . . . . 0.0 113.405 175.425 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 85.5 mt -78.26 -6.37 54.77 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 120.908 0.385 . . . . 0.0 110.078 176.413 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 75.7 mt -85.94 -32.96 21.3 Favored 'General case' 0 N--CA 1.451 -0.388 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.118 -179.782 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.463 HD22 ' N ' ' A' ' 39' ' ' LEU . 3.7 mm? -102.41 -30.65 10.9 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.004 -0.544 . . . . 0.0 109.686 177.472 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 120.99 44.01 0.42 Allowed Glycine 0 C--O 1.228 -0.268 0 C-N-CA 119.368 -1.396 . . . . 0.0 114.272 169.694 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 29.2 t60 -96.4 99.65 11.3 Favored 'General case' 0 C--N 1.317 -0.821 0 N-CA-C 109.019 -0.734 . . . . 0.0 109.019 171.478 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -97.38 116.8 5.61 Favored Glycine 0 N--CA 1.442 -0.948 0 C-N-CA 120.359 -0.924 . . . . 0.0 112.798 -177.367 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.573 ' HD2' ' SD ' ' A' ' 46' ' ' MET . 26.5 Cg_exo -64.43 179.09 1.35 Allowed 'Trans proline' 0 C--N 1.343 0.273 0 C-N-CA 122.765 2.31 . . . . 0.0 110.829 169.935 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 35.3 pt -52.79 -39.69 32.2 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.451 0 N-CA-C 112.596 0.591 . . . . 0.0 112.596 -172.413 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 97.0 mtt180 -60.89 -48.18 82.98 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 121.111 0.481 . . . . 0.0 110.634 177.719 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' MET . . . . . 0.573 ' SD ' ' HD2' ' A' ' 43' ' ' PRO . 1.9 mpt? -69.9 -27.9 65.17 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.909 -179.127 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.538 HG23 ' O ' ' A' ' 43' ' ' PRO . 90.6 t -58.45 -46.71 89.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 N-CA-C 110.126 -0.324 . . . . 0.0 110.126 176.201 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 11.0 mp -68.21 -31.92 71.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.03 177.854 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -66.55 -50.13 64.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.989 0.424 . . . . 0.0 110.996 176.083 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.532 HG13 ' O ' ' A' ' 46' ' ' MET . 54.7 mt -66.92 -29.89 47.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 115.999 -0.546 . . . . 0.0 109.771 178.315 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.518 ' O ' ' HG2' ' A' ' 55' ' ' ARG . 16.5 tp -58.33 -56.68 18.93 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.055 174.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -56.52 -39.49 73.43 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.826 179.803 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 0.415 ' HB3' ' O ' ' A' ' 50' ' ' ILE . 90.1 t80 -52.74 -58.48 6.72 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.66 -0.7 . . . . 0.0 109.63 173.711 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.517 HD13 ' H ' ' A' ' 62' ' ' SER . 83.9 mt -70.34 -6.71 37.18 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.237 -0.438 . . . . 0.0 112.103 -178.256 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.518 ' HG2' ' O ' ' A' ' 51' ' ' LEU . 25.1 mmm180 -87.82 -35.78 17.61 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.773 0.32 . . . . 0.0 111.296 177.839 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . 0.425 ' CZ ' ' HA ' ' B' ' 84' ' ' PHE . 66.8 m-85 -109.88 -12.67 14.55 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.92 -176.036 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 22.8 p -108.15 4.52 24.96 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.057 0.456 . . . . 0.0 110.705 178.035 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -164.47 167.06 19.92 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.401 -177.634 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 18.8 mm -118.28 50.79 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-O 121.823 0.821 . . . . 0.0 109.34 175.877 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 57.2 tptt 174.55 105.31 0.08 OUTLIER Pre-proline 0 C--N 1.321 -0.647 0 CA-C-N 114.589 -1.187 . . . . 0.0 110.285 -178.002 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . 0.403 ' HB2' HD11 ' A' ' 66' ' ' ILE . 4.9 Cg_exo -77.6 134.49 13.77 Favored 'Trans proline' 0 N--CA 1.457 -0.651 0 C-N-CA 122.535 2.156 . . . . 0.0 111.272 173.438 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' SER . . . . . 0.517 ' H ' HD13 ' A' ' 54' ' ' LEU . 5.9 m -59.32 138.09 57.75 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.961 -178.587 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 96.0 mt -62.47 -26.58 68.6 Favored 'General case' 0 N--CA 1.462 0.154 0 CA-C-N 115.67 -0.696 . . . . 0.0 112.28 -173.589 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -63.93 -47.07 89.4 Favored Glycine 0 N--CA 1.45 -0.406 0 C-N-CA 120.557 -0.83 . . . . 0.0 111.117 175.218 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -64.44 -40.09 95.07 Favored 'General case' 0 C--O 1.218 -0.585 0 N-CA-C 110.162 -0.31 . . . . 0.0 110.162 176.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.403 HD11 ' HB2' ' A' ' 61' ' ' PRO . 37.2 mm -59.66 -43.82 92.12 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.339 0 CA-C-O 121.099 0.476 . . . . 0.0 111.108 177.945 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 24.3 t-20 -57.68 -42.96 84.67 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.736 -0.665 . . . . 0.0 111.006 178.721 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 23.0 ttm180 -82.8 -23.88 33.64 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.049 0.452 . . . . 0.0 110.178 -177.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' TRP . . . . . 0.527 ' CD1' HD11 ' B' ' 95' ' ' ILE . 44.2 t90 -60.84 -52.19 66.13 Favored 'General case' 0 C--N 1.324 -0.531 0 C-N-CA 123.938 0.895 . . . . 0.0 110.646 176.715 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -69.04 -13.09 66.34 Favored Glycine 0 CA--C 1.522 0.514 0 C-N-CA 120.999 -0.619 . . . . 0.0 112.344 175.742 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 53.6 m -89.69 -2.33 58.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.914 0.387 . . . . 0.0 111.017 -179.748 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 56.8 t -78.6 138.66 19.76 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.587 0 N-CA-C 109.403 -0.592 . . . . 0.0 109.403 176.126 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -59.62 129.04 48.08 Favored Glycine 0 N--CA 1.442 -0.927 0 N-CA-C 110.356 -1.097 . . . . 0.0 110.356 174.754 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.512 ' O ' ' HG3' ' A' ' 78' ' ' MET . 0.2 OUTLIER -68.23 -23.39 64.8 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-O 121.618 0.723 . . . . 0.0 110.439 -173.425 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 20.2 tptm -74.55 -47.76 30.83 Favored 'General case' 0 C--N 1.31 -1.15 0 CA-C-N 114.498 -1.228 . . . . 0.0 109.828 170.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . 0.514 ' O ' HG13 ' A' ' 80' ' ' ILE . 14.3 tp10 -62.34 -39.51 93.34 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.513 -0.767 . . . . 0.0 110.366 -178.837 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -58.16 -39.45 78.88 Favored 'General case' 0 N--CA 1.454 -0.263 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.79 178.205 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' MET . . . . . 0.512 ' HG3' ' O ' ' A' ' 74' ' ' LYS . 89.3 mtp -60.65 -44.59 96.25 Favored 'General case' 0 CA--C 1.519 -0.243 0 CA-C-O 121.101 0.477 . . . . 0.0 109.854 176.626 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -65.31 -43.31 91.44 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.462 -0.79 . . . . 0.0 110.804 179.078 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . 0.514 HG13 ' O ' ' A' ' 76' ' ' GLU . 86.2 mt -61.62 -53.29 50.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.64 179.047 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . 0.449 ' O ' ' HG3' ' A' ' 85' ' ' LYS . 35.4 mm -59.67 -39.83 80.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.149 -178.578 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . 0.5 ' O ' ' HG2' ' A' ' 86' ' ' LYS . 25.2 ttmm -59.6 -51.41 69.93 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.929 0.395 . . . . 0.0 110.746 178.36 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 55.4 mtmt -71.28 -26.1 62.73 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.936 -179.492 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . 0.443 ' HA ' ' CZ ' ' B' ' 56' ' ' PHE . 7.2 t80 -64.64 -48.56 74.39 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 109.295 -0.631 . . . . 0.0 109.295 175.331 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . 0.449 ' HG3' ' O ' ' A' ' 81' ' ' ILE . 99.5 mttt -59.91 -34.65 73.49 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-N 115.513 -0.767 . . . . 0.0 110.969 177.185 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . 0.5 ' HG2' ' O ' ' A' ' 82' ' ' LYS . 74.9 mmtt -64.97 -42.03 94.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.426 179.764 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 35.9 t70 -71.97 -35.54 69.56 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.897 0.379 . . . . 0.0 110.067 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 91.5 mt -58.94 -44.71 91.43 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.026 174.463 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -62.42 -40.32 96.17 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.511 -0.768 . . . . 0.0 110.762 178.147 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . 0.616 ' O ' HG13 ' A' ' 94' ' ' ILE . . . -63.49 -46.97 83.65 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.635 179.381 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 94.9 mmm -63.5 -38.67 92.03 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.727 179.303 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 49.2 tp -59.15 -46.01 89.47 Favored 'General case' 0 C--O 1.24 0.579 0 CA-C-O 121.311 0.577 . . . . 0.0 110.571 176.538 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 71.8 mtp180 -58.75 -36.85 75.01 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.536 -0.756 . . . . 0.0 110.766 178.304 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . 0.616 HG13 ' O ' ' A' ' 90' ' ' ALA . 27.8 mt -69.18 -36.71 74.3 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.628 -0.26 . . . . 0.0 110.738 179.161 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . 0.53 HD11 ' CD1' ' B' ' 69' ' ' TRP . 19.4 mm -51.54 -53.63 15.49 Favored 'Isoleucine or valine' 0 C--O 1.235 0.326 0 CA-C-O 121.319 0.58 . . . . 0.0 110.0 175.368 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -82.85 -16.02 49.27 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.757 -0.656 . . . . 0.0 111.121 -176.144 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -66.54 -43.02 86.27 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.09 0.472 . . . . 0.0 110.696 178.457 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . 0.619 ' HD3' ' OE2' ' A' ' 100' ' ' GLU . 12.2 ptp180 -93.55 -40.23 10.41 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.915 -175.621 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 95.3 mttt 69.71 -13.38 0.4 Allowed 'General case' 0 N--CA 1.466 0.336 0 CA-C-N 115.668 -0.696 . . . . 0.0 111.874 179.705 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . 0.619 ' OE2' ' HD3' ' A' ' 98' ' ' ARG . 32.1 mm-40 49.71 44.5 24.74 Favored 'General case' 0 N--CA 1.465 0.319 0 O-C-N 123.916 0.76 . . . . 0.0 111.263 -176.502 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 14.2 mmmm 63.02 89.73 0.08 Allowed 'General case' 0 C--O 1.232 0.133 0 O-C-N 123.763 0.664 . . . . 0.0 110.306 -175.1 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 56.0 tttm -64.58 124.51 22.06 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.971 -0.559 . . . . 0.0 109.739 -179.301 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -71.95 -13.9 61.76 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.987 -0.552 . . . . 0.0 111.322 -176.203 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 . . . . . 0 C--O 1.25 1.087 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.069 179.986 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 35' ' ' ALA . . . . . 0.425 ' O ' ' HB2' ' B' ' 39' ' ' LEU . . . . . . . . 0 N--CA 1.478 0.955 0 CA-C-O 120.83 0.348 . . . . 0.0 110.418 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 36' ' ' GLY . . . . . . . . . . . . . . . 73.29 -174.97 46.63 Favored Glycine 0 N--CA 1.444 -0.824 0 C-N-CA 119.663 -1.256 . . . . 0.0 113.372 175.136 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 85.7 mt -78.29 -7.15 56.87 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-O 120.979 0.419 . . . . 0.0 110.05 176.553 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 75.0 mt -85.19 -33.22 22.32 Favored 'General case' 0 N--CA 1.453 -0.288 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.046 -179.451 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 39' ' ' LEU . . . . . 0.456 HD22 ' N ' ' B' ' 39' ' ' LEU . 3.6 mm? -102.37 -30.77 10.85 Favored 'General case' 0 N--CA 1.451 -0.406 0 CA-C-N 115.998 -0.546 . . . . 0.0 109.664 177.553 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . 120.9 44.14 0.42 Allowed Glycine 0 N--CA 1.453 -0.221 0 C-N-CA 119.355 -1.402 . . . . 0.0 114.339 169.736 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 41' ' ' HIS . . . . . . . . . . . . . 28.2 t60 -96.46 99.8 11.44 Favored 'General case' 0 C--N 1.319 -0.729 0 N-CA-C 109.032 -0.729 . . . . 0.0 109.032 171.447 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 42' ' ' GLY . . . . . . . . . . . . . . . -97.66 116.76 5.61 Favored Glycine 0 N--CA 1.442 -0.96 0 C-N-CA 120.518 -0.848 . . . . 0.0 112.75 -177.281 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 43' ' ' PRO . . . . . 0.567 ' HD2' ' SD ' ' B' ' 46' ' ' MET . 26.3 Cg_exo -64.58 179.13 1.39 Allowed 'Trans proline' 0 C--N 1.344 0.297 0 C-N-CA 122.713 2.275 . . . . 0.0 110.772 169.947 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 35.1 pt -52.78 -39.74 32.37 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.422 0 N-CA-C 112.541 0.571 . . . . 0.0 112.541 -172.401 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 97.0 mtt180 -60.8 -48.21 82.84 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-O 121.175 0.512 . . . . 0.0 110.643 177.756 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 46' ' ' MET . . . . . 0.567 ' SD ' ' HD2' ' B' ' 43' ' ' PRO . 1.9 mpt? -69.87 -27.93 65.23 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.844 -0.617 . . . . 0.0 110.91 -179.118 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 47' ' ' VAL . . . . . 0.538 HG23 ' O ' ' B' ' 43' ' ' PRO . 90.8 t -58.44 -46.66 89.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 N-CA-C 110.172 -0.307 . . . . 0.0 110.172 176.182 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 11.0 mp -68.37 -31.8 71.43 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.012 177.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -66.59 -50.17 63.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.962 0.41 . . . . 0.0 110.995 175.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 50' ' ' ILE . . . . . 0.547 HG13 ' O ' ' B' ' 46' ' ' MET . 54.9 mt -66.91 -29.91 47.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 115.983 -0.553 . . . . 0.0 109.785 178.297 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 51' ' ' LEU . . . . . 0.521 ' O ' ' HG2' ' B' ' 55' ' ' ARG . 16.5 tp -58.32 -56.63 19.6 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.602 -0.726 . . . . 0.0 110.091 174.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -56.66 -39.33 73.55 Favored 'General case' 0 CA--C 1.519 -0.217 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.822 179.779 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 53' ' ' PHE . . . . . 0.419 ' HB3' ' O ' ' B' ' 50' ' ' ILE . 90.3 t80 -52.78 -58.38 7.08 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.779 -0.646 . . . . 0.0 109.697 173.609 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 54' ' ' LEU . . . . . 0.524 HD13 ' H ' ' B' ' 62' ' ' SER . 83.8 mt -70.47 -6.6 37.11 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 112.138 0.422 . . . . 0.0 112.138 -178.277 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 55' ' ' ARG . . . . . 0.521 ' HG2' ' O ' ' B' ' 51' ' ' LEU . 25.1 mmm180 -88.05 -35.44 17.53 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.902 0.382 . . . . 0.0 111.304 177.789 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 56' ' ' PHE . . . . . 0.443 ' CZ ' ' HA ' ' A' ' 84' ' ' PHE . 67.6 m-85 -110.25 -12.43 14.46 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.941 -176.085 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 57' ' ' THR . . . . . . . . . . . . . 22.2 p -108.34 4.5 24.56 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.024 0.44 . . . . 0.0 110.747 177.82 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -164.53 166.43 20.36 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.44 -177.482 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 59' ' ' ILE . . . . . . . . . . . . . 18.9 mm -117.6 50.85 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-O 121.862 0.839 . . . . 0.0 109.416 175.826 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 57.2 tptt 174.62 105.38 0.08 OUTLIER Pre-proline 0 C--N 1.321 -0.662 0 CA-C-N 114.621 -1.172 . . . . 0.0 110.344 -178.148 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 61' ' ' PRO . . . . . . . . . . . . . 5.0 Cg_exo -77.69 134.15 13.36 Favored 'Trans proline' 0 N--CA 1.458 -0.608 0 C-N-CA 122.474 2.116 . . . . 0.0 111.269 173.603 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 62' ' ' SER . . . . . 0.524 ' H ' HD13 ' B' ' 54' ' ' LEU . 6.2 m -58.96 137.94 57.67 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.989 -178.597 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 96.3 mt -62.42 -26.35 68.44 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 115.624 -0.716 . . . . 0.0 112.327 -173.8 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -64.17 -46.85 89.91 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.367 -0.92 . . . . 0.0 111.248 174.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -64.59 -39.99 94.72 Favored 'General case' 0 C--O 1.218 -0.587 0 CA-C-N 115.531 -0.335 . . . . 0.0 110.175 177.023 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 66' ' ' ILE . . . . . 0.401 ' O ' ' HB3' ' B' ' 69' ' ' TRP . 36.7 mm -59.81 -43.77 92.56 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.327 0 CA-C-O 121.12 0.486 . . . . 0.0 111.061 178.046 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 67' ' ' ASN . . . . . . . . . . . . . 24.2 t-20 -57.7 -43.05 84.88 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.735 -0.666 . . . . 0.0 111.046 178.8 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 68' ' ' ARG . . . . . . . . . . . . . 22.8 ttm180 -82.62 -23.98 34.07 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.106 0.479 . . . . 0.0 110.246 -178.138 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 69' ' ' TRP . . . . . 0.53 ' CD1' HD11 ' A' ' 95' ' ' ILE . 44.3 t90 -60.77 -52.15 66.3 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.107 -0.951 . . . . 0.0 110.662 176.732 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 70' ' ' GLY . . . . . 0.403 ' HA3' ' HG3' ' A' ' 100' ' ' GLU . . . -69.22 -12.84 66.49 Favored Glycine 0 CA--C 1.521 0.453 0 C-N-CA 120.952 -0.642 . . . . 0.0 112.409 175.724 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 71' ' ' SER . . . . . . . . . . . . . 51.7 m -90.08 -1.51 57.97 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.874 0.368 . . . . 0.0 111.001 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 72' ' ' VAL . . . . . . . . . . . . . 56.0 t -79.35 138.46 19.96 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 N-CA-C 109.495 -0.557 . . . . 0.0 109.495 175.857 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 73' ' ' GLY . . . . . . . . . . . . . . . -59.36 129.07 48.55 Favored Glycine 0 N--CA 1.441 -0.985 0 N-CA-C 110.481 -1.048 . . . . 0.0 110.481 174.811 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 74' ' ' LYS . . . . . 0.519 ' O ' ' HG3' ' B' ' 78' ' ' MET . 0.2 OUTLIER -68.46 -22.82 64.55 Favored 'General case' 0 C--N 1.317 -0.829 0 CA-C-O 121.709 0.766 . . . . 0.0 110.392 -173.506 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 75' ' ' LYS . . . . . . . . . . . . . 20.2 tptm -75.12 -47.96 26.1 Favored 'General case' 0 C--N 1.31 -1.133 0 CA-C-N 114.521 -1.218 . . . . 0.0 109.71 170.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 76' ' ' GLU . . . . . 0.516 ' O ' HG13 ' B' ' 80' ' ' ILE . 14.6 tp10 -62.07 -39.75 93.47 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.537 -0.756 . . . . 0.0 110.457 -178.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 77' ' ' ALA . . . . . . . . . . . . . . . -57.9 -39.5 78.06 Favored 'General case' 0 N--CA 1.453 -0.289 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.729 178.242 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 78' ' ' MET . . . . . 0.519 ' HG3' ' O ' ' B' ' 74' ' ' LYS . 90.3 mtp -60.78 -44.56 96.63 Favored 'General case' 0 CA--C 1.519 -0.231 0 N-CA-C 109.73 -0.47 . . . . 0.0 109.73 176.779 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 79' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -65.41 -43.18 91.37 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.467 -0.788 . . . . 0.0 110.742 179.26 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 80' ' ' ILE . . . . . 0.516 HG13 ' O ' ' B' ' 76' ' ' GLU . 85.8 mt -61.67 -53.43 48.46 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.617 178.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 81' ' ' ILE . . . . . 0.447 ' O ' ' HG3' ' B' ' 85' ' ' LYS . 35.5 mm -59.61 -39.89 80.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.139 -178.493 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 82' ' ' LYS . . . . . 0.493 ' O ' ' HG2' ' B' ' 86' ' ' LYS . 25.2 ttmm -59.56 -51.24 70.7 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.881 0.372 . . . . 0.0 110.757 178.42 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 83' ' ' LYS . . . . . . . . . . . . . 55.4 mtmt -71.25 -26.52 62.94 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.924 -179.522 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 84' ' ' PHE . . . . . 0.425 ' HA ' ' CZ ' ' A' ' 56' ' ' PHE . 7.2 t80 -64.25 -48.62 75.06 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 109.298 -0.63 . . . . 0.0 109.298 175.459 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 85' ' ' LYS . . . . . 0.447 ' HG3' ' O ' ' B' ' 81' ' ' ILE . 99.4 mttt -59.75 -34.82 73.46 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-N 115.547 -0.751 . . . . 0.0 110.967 177.194 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 86' ' ' LYS . . . . . 0.493 ' HG2' ' O ' ' B' ' 82' ' ' LYS . 74.9 mmtt -65.09 -41.42 95.03 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.548 179.816 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 87' ' ' ASP . . . . . . . . . . . . . 35.3 t70 -72.28 -35.63 68.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.823 0.344 . . . . 0.0 110.134 179.564 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 91.8 mt -58.98 -44.78 91.61 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.055 174.49 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -62.32 -40.43 96.32 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.494 -0.776 . . . . 0.0 110.697 178.257 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 90' ' ' ALA . . . . . 0.618 ' O ' HG13 ' B' ' 94' ' ' ILE . . . -63.34 -46.96 84.19 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.741 179.302 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 91' ' ' MET . . . . . . . . . . . . . 94.9 mmm -63.71 -38.77 92.36 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.581 179.288 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 92' ' ' LEU . . . . . . . . . . . . . 49.6 tp -59.02 -45.86 89.64 Favored 'General case' 0 C--O 1.24 0.553 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.618 176.58 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 93' ' ' ARG . . . . . . . . . . . . . 72.1 mtp180 -58.76 -37.1 75.49 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.503 -0.771 . . . . 0.0 110.788 178.113 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 94' ' ' ILE . . . . . 0.618 HG13 ' O ' ' B' ' 90' ' ' ALA . 27.9 mt -68.84 -36.74 75.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.749 -0.205 . . . . 0.0 110.758 179.267 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 95' ' ' ILE . . . . . 0.527 HD11 ' CD1' ' A' ' 69' ' ' TRP . 19.4 mm -51.42 -53.93 13.86 Favored 'Isoleucine or valine' 0 C--O 1.236 0.354 0 CA-C-O 121.351 0.596 . . . . 0.0 109.929 175.416 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 96' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -82.83 -15.99 49.47 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.736 -0.665 . . . . 0.0 111.155 -176.01 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 97' ' ' ALA . . . . . . . . . . . . . . . -66.45 -43.32 85.87 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 121.033 0.444 . . . . 0.0 110.747 178.268 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 98' ' ' ARG . . . . . 0.59 ' HD3' ' OE2' ' B' ' 100' ' ' GLU . 12.3 ptp180 -93.37 -40.01 10.62 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.765 -0.652 . . . . 0.0 111.027 -175.673 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 99' ' ' LYS . . . . . . . . . . . . . 95.4 mttt 69.59 -13.4 0.39 Allowed 'General case' 0 N--CA 1.467 0.382 0 CA-C-N 115.71 -0.677 . . . . 0.0 111.994 179.658 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 100' ' ' GLU . . . . . 0.59 ' OE2' ' HD3' ' B' ' 98' ' ' ARG . 28.8 mm-40 49.45 45.03 24.13 Favored 'General case' 0 N--CA 1.465 0.312 0 O-C-N 124.006 0.816 . . . . 0.0 111.209 -176.275 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 101' ' ' LYS . . . . . . . . . . . . . 14.3 mmmm 62.78 89.8 0.08 Allowed 'General case' 0 C--O 1.232 0.138 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.342 -175.307 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 102' ' ' LYS . . . . . . . . . . . . . 55.7 tttm -64.67 124.51 22.09 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.114 -0.494 . . . . 0.0 109.917 -179.193 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 103' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -71.89 -14.04 61.83 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.34 -176.112 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 104' ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 . . . . . 0 C--O 1.248 0.977 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.157 179.936 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.043 0 CA-C-O 121.002 0.429 . . . . 0.0 110.396 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -62.8 -29.2 73.28 Favored Glycine 0 N--CA 1.451 -0.363 0 CA-C-N 116.073 -0.512 . . . . 0.0 113.187 -175.731 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -74.49 -19.62 60.3 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 120.613 0.244 . . . . 0.0 111.015 -179.228 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 82.2 mt -99.91 -42.3 6.84 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.893 0.378 . . . . 0.0 110.717 -177.458 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -83.01 -16.73 45.97 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.112 -178.634 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 81.26 4.41 90.47 Favored Glycine 0 N--CA 1.449 -0.453 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.368 178.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 65.8 t60 -102.75 107.28 18.11 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 110.333 -0.247 . . . . 0.0 110.333 -179.672 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -98.39 120.02 6.66 Favored Glycine 0 N--CA 1.445 -0.733 0 C-N-CA 120.503 -0.856 . . . . 0.0 112.21 177.304 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.478 ' HD2' ' SD ' ' A' ' 46' ' ' MET . 39.8 Cg_exo -62.18 174.45 2.57 Favored 'Trans proline' 0 C--N 1.345 0.388 0 C-N-CA 122.883 2.388 . . . . 0.0 111.591 173.321 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 22.7 pt -52.38 -41.54 35.47 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.406 0 N-CA-C 112.64 0.607 . . . . 0.0 112.64 -173.384 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 -56.9 -46.87 81.65 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-O 121.354 0.597 . . . . 0.0 110.615 176.747 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' MET . . . . . 0.519 ' HG2' ' HA ' ' B' ' 57' ' ' THR . 70.3 mtp -70.04 -24.3 63.24 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.332 -0.849 . . . . 0.0 111.259 -178.753 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.474 HG22 ' O ' ' A' ' 43' ' ' PRO . 84.4 t -65.73 -48.83 80.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.622 0.249 . . . . 0.0 110.584 177.837 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -62.27 -39.62 93.52 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.931 0.396 . . . . 0.0 110.381 176.865 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -67.78 -48.18 67.05 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.741 -179.045 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.418 ' O ' ' HG ' ' A' ' 54' ' ' LEU . 15.0 tt -69.73 -28.61 37.9 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-O 120.61 0.243 . . . . 0.0 110.674 -177.666 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.634 HD22 ' SD ' ' B' ' 91' ' ' MET . 7.6 tp -68.61 -49.99 54.95 Favored 'General case' 0 N--CA 1.449 -0.506 0 C-N-CA 120.484 -0.486 . . . . 0.0 109.736 179.186 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -57.34 -39.19 75.39 Favored 'General case' 0 CA--C 1.517 -0.302 0 CA-C-O 121.217 0.532 . . . . 0.0 110.199 176.583 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 0.403 ' HB3' ' O ' ' A' ' 50' ' ' ILE . 88.7 t80 -54.75 -58.76 6.25 Favored 'General case' 0 N--CA 1.45 -0.445 0 CA-C-N 115.295 -0.866 . . . . 0.0 109.538 173.011 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.418 ' HG ' ' O ' ' A' ' 50' ' ' ILE . 89.1 mt -62.28 -18.05 60.25 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.827 -179.61 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.511 ' HG2' ' O ' ' A' ' 51' ' ' LEU . 26.2 mmm180 -77.83 -50.86 11.45 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.807 0.337 . . . . 0.0 111.358 178.376 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . 0.541 ' CZ ' ' HA ' ' B' ' 84' ' ' PHE . 54.7 m-85 -96.02 -7.7 35.58 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 112.415 0.524 . . . . 0.0 112.415 -174.043 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' THR . . . . . 0.521 ' HA ' ' HG2' ' B' ' 46' ' ' MET . 31.5 p -107.58 -30.51 8.57 Favored 'General case' 0 C--N 1.323 -0.546 0 C-N-CA 120.075 -0.65 . . . . 0.0 111.467 176.808 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -128.48 -176.56 3.86 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.235 -172.092 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 74.3 mt -120.92 118.77 57.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.15 176.357 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 57.2 tptt 68.27 98.41 0.04 OUTLIER Pre-proline 0 N--CA 1.464 0.252 0 O-C-N 124.09 0.869 . . . . 0.0 111.207 179.474 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 33.8 Cg_exo -61.23 149.68 88.17 Favored 'Trans proline' 0 C--O 1.233 0.241 0 C-N-CA 122.957 2.438 . . . . 0.0 112.216 177.192 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' SER . . . . . 0.408 ' HB2' HD22 ' A' ' 65' ' ' LEU . 3.9 m -65.25 139.12 58.6 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.877 -0.601 . . . . 0.0 111.161 -177.794 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -63.56 -21.12 66.17 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.395 -0.821 . . . . 0.0 112.333 -173.022 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -65.67 -44.91 91.68 Favored Glycine 0 C--O 1.238 0.381 0 C-N-CA 120.591 -0.814 . . . . 0.0 111.575 176.115 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.408 HD22 ' HB2' ' A' ' 62' ' ' SER . 3.3 mm? -66.46 -35.45 80.32 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 109.433 -0.58 . . . . 0.0 109.433 175.771 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.435 ' O ' ' HB3' ' A' ' 69' ' ' TRP . 35.6 mm -63.22 -35.05 70.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 115.822 -0.627 . . . . 0.0 110.668 176.798 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 28.1 t-20 -65.51 -43.17 90.92 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.88 178.397 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 33.4 ttm180 -82.48 -18.38 41.85 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.36 0.6 . . . . 0.0 110.255 -179.276 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' TRP . . . . . 0.545 ' NE1' HD11 ' B' ' 95' ' ' ILE . 22.7 t90 -55.58 -47.97 75.59 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.098 -0.956 . . . . 0.0 110.399 175.844 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -82.34 8.14 62.22 Favored Glycine 0 N--CA 1.447 -0.602 0 C-N-CA 120.885 -0.674 . . . . 0.0 112.794 177.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 17.0 t -92.1 -11.02 36.88 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 109.529 -0.545 . . . . 0.0 109.529 177.235 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 17.4 t -74.94 136.63 24.71 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 N-CA-C 108.749 -0.834 . . . . 0.0 108.749 174.797 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -77.36 35.98 1.55 Allowed Glycine 0 CA--C 1.52 0.399 0 N-CA-C 114.654 0.622 . . . . 0.0 114.654 -170.356 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 58.0 mttp 62.19 -71.45 0.05 OUTLIER 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 123.734 0.814 . . . . 0.0 112.626 175.205 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 21.7 tptm -58.49 -36.76 74.26 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.898 0.38 . . . . 0.0 110.337 178.141 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . 0.429 ' O ' HG13 ' A' ' 80' ' ' ILE . 16.0 tp10 -60.93 -42.9 99.06 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.012 -0.54 . . . . 0.0 109.967 176.725 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -62.82 -38.53 91.11 Favored 'General case' 0 C--O 1.223 -0.31 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.404 178.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 65.1 mtt -58.89 -39.91 82.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.163 0.506 . . . . 0.0 110.246 177.893 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 18.2 mm-40 -71.31 -45.73 62.36 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.424 -0.807 . . . . 0.0 111.08 178.743 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . 0.429 HG13 ' O ' ' A' ' 76' ' ' GLU . 89.2 mt -60.8 -50.02 82.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.793 178.587 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 36.2 mm -64.31 -35.5 74.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.353 -178.153 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 23.3 tptm -63.0 -44.67 95.38 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.912 0.387 . . . . 0.0 110.1 177.774 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 63.9 tttm -70.6 -32.39 69.74 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.042 178.417 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . 0.544 ' HA ' ' CZ ' ' B' ' 56' ' ' PHE . 5.2 t80 -62.33 -53.73 50.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.619 -0.718 . . . . 0.0 109.748 177.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -59.15 -36.59 75.53 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.927 177.207 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 53.5 tptt -66.64 -40.55 88.74 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.766 -179.36 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -68.58 -38.07 80.39 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 109.595 -0.52 . . . . 0.0 109.595 178.749 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.531 ' HG ' ' O ' ' A' ' 84' ' ' PHE . 92.7 mt -62.16 -37.02 83.63 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.559 175.644 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . 0.501 ' O ' ' HG3' ' A' ' 93' ' ' ARG . . . -62.72 -48.83 77.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.724 179.356 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . 0.557 ' O ' HG13 ' A' ' 94' ' ' ILE . . . -61.7 -45.61 93.22 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.236 177.602 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' MET . . . . . 0.621 ' SD ' HD22 ' B' ' 51' ' ' LEU . 49.8 ttp -56.2 -44.49 79.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.44 -0.8 . . . . 0.0 110.716 178.181 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 67.2 tp -57.82 -41.83 83.06 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.613 -0.721 . . . . 0.0 111.16 179.157 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . 0.501 ' HG3' ' O ' ' A' ' 89' ' ' ALA . 30.6 mtm180 -64.37 -34.16 77.53 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.533 -179.63 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . 0.557 HG13 ' O ' ' A' ' 90' ' ' ALA . 11.5 mt -74.46 -26.32 20.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.509 179.076 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . 0.549 HD11 ' NE1' ' B' ' 69' ' ' TRP . 21.9 mm -60.88 -44.87 98.7 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.196 0 CA-C-O 121.756 0.789 . . . . 0.0 109.124 171.613 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 45.3 t30 -65.14 -29.27 70.1 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.168 -0.924 . . . . 0.0 109.849 176.345 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -82.36 2.29 33.03 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.681 -0.691 . . . . 0.0 111.566 178.755 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . 0.42 ' HG2' ' O ' ' A' ' 94' ' ' ILE . 6.4 mmp_? -77.33 60.77 2.06 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-O 121.387 0.613 . . . . 0.0 109.781 175.837 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 50.8 tttm 174.62 -49.44 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 107.481 -1.303 . . . . 0.0 107.481 -177.241 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . 0.517 ' O ' ' HB2' ' A' ' 101' ' ' LYS . 39.5 tt0 177.37 -66.16 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 113.382 -1.735 . . . . 0.0 108.029 -179.853 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . 0.517 ' HB2' ' O ' ' A' ' 100' ' ' GLU . 4.8 tppp? 161.33 -38.05 0.0 OUTLIER 'General case' 0 C--O 1.234 0.266 0 CA-C-N 114.425 -1.261 . . . . 0.0 108.319 -178.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 55.1 mtmt -93.14 142.13 27.65 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 114.835 -1.075 . . . . 0.0 110.094 178.097 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 6.5 ppt_? -78.26 -4.94 50.37 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.542 -176.838 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 80.7 mtp180 . . . . . 0 C--O 1.246 0.912 0 CA-C-O 118.642 -0.694 . . . . 0.0 110.037 175.579 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 0.972 0 CA-C-O 121.05 0.452 . . . . 0.0 110.522 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 36' ' ' GLY . . . . . . . . . . . . . . . -62.68 -28.99 72.45 Favored Glycine 0 N--CA 1.45 -0.376 0 CA-C-N 115.873 -0.603 . . . . 0.0 113.239 -175.824 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -74.71 -19.8 60.1 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 120.614 0.245 . . . . 0.0 111.032 -179.338 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 82.0 mt -99.8 -42.06 6.99 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.912 0.386 . . . . 0.0 110.643 -177.376 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -83.3 -16.73 45.08 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.096 -178.623 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . 81.36 4.35 90.46 Favored Glycine 0 N--CA 1.449 -0.447 0 C-N-CA 120.85 -0.69 . . . . 0.0 112.304 178.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 41' ' ' HIS . . . . . . . . . . . . . 65.9 t60 -102.92 107.3 18.07 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.704 0.287 . . . . 0.0 110.294 -179.492 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 42' ' ' GLY . . . . . . . . . . . . . . . -98.65 119.79 6.6 Favored Glycine 0 N--CA 1.444 -0.783 0 C-N-CA 120.466 -0.873 . . . . 0.0 112.24 177.492 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 43' ' ' PRO . . . . . 0.469 ' O ' HG22 ' B' ' 47' ' ' VAL . 39.1 Cg_exo -61.95 174.79 2.19 Favored 'Trans proline' 0 C--N 1.346 0.42 0 C-N-CA 122.841 2.361 . . . . 0.0 111.579 173.558 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 22.3 pt -52.64 -41.47 37.77 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.423 0 N-CA-C 112.669 0.618 . . . . 0.0 112.669 -173.405 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 -56.96 -46.94 81.81 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-O 121.356 0.598 . . . . 0.0 110.595 176.715 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 46' ' ' MET . . . . . 0.521 ' HG2' ' HA ' ' A' ' 57' ' ' THR . 70.7 mtp -69.89 -24.39 63.39 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.364 -0.834 . . . . 0.0 111.253 -178.829 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 47' ' ' VAL . . . . . 0.469 HG22 ' O ' ' B' ' 43' ' ' PRO . 84.6 t -65.63 -48.98 80.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-O 120.63 0.252 . . . . 0.0 110.493 177.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -62.19 -39.66 93.46 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.988 0.423 . . . . 0.0 110.338 177.047 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -67.72 -48.17 67.26 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.893 -0.594 . . . . 0.0 111.688 -178.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 50' ' ' ILE . . . . . 0.431 ' O ' ' HG ' ' B' ' 54' ' ' LEU . 15.0 tt -69.71 -28.71 38.3 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 CA-C-O 120.596 0.236 . . . . 0.0 110.599 -177.578 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 51' ' ' LEU . . . . . 0.621 HD22 ' SD ' ' A' ' 91' ' ' MET . 7.5 tp -68.56 -49.97 55.42 Favored 'General case' 0 N--CA 1.448 -0.541 0 C-N-CA 120.483 -0.487 . . . . 0.0 109.819 179.172 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -57.37 -39.09 75.29 Favored 'General case' 0 CA--C 1.518 -0.267 0 CA-C-O 121.109 0.48 . . . . 0.0 110.193 176.503 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 53' ' ' PHE . . . . . 0.403 ' HB3' ' O ' ' B' ' 50' ' ' ILE . 88.9 t80 -54.91 -58.54 7.21 Favored 'General case' 0 N--CA 1.448 -0.534 0 CA-C-N 115.302 -0.863 . . . . 0.0 109.581 173.048 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 54' ' ' LEU . . . . . 0.431 ' HG ' ' O ' ' B' ' 50' ' ' ILE . 88.7 mt -62.45 -18.21 61.23 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.85 -179.622 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 55' ' ' ARG . . . . . 0.508 ' HG2' ' O ' ' B' ' 51' ' ' LEU . 26.2 mmm180 -77.61 -51.06 11.26 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.921 0.391 . . . . 0.0 111.291 178.366 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 56' ' ' PHE . . . . . 0.544 ' CZ ' ' HA ' ' A' ' 84' ' ' PHE . 54.3 m-85 -95.76 -7.76 36.3 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 112.395 0.517 . . . . 0.0 112.395 -173.888 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 57' ' ' THR . . . . . 0.519 ' HA ' ' HG2' ' A' ' 46' ' ' MET . 31.1 p -107.61 -30.67 8.47 Favored 'General case' 0 C--N 1.323 -0.56 0 C-N-CA 120.031 -0.668 . . . . 0.0 111.366 176.893 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -128.77 -177.15 4.08 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.18 -171.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 59' ' ' ILE . . . . . . . . . . . . . 75.6 mt -120.49 118.25 56.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.109 176.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 57.2 tptt 68.62 98.44 0.04 OUTLIER Pre-proline 0 C--O 1.234 0.269 0 O-C-N 123.99 0.806 . . . . 0.0 111.193 179.53 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 61' ' ' PRO . . . . . . . . . . . . . 34.9 Cg_exo -61.32 149.45 89.39 Favored 'Trans proline' 0 C--O 1.233 0.25 0 C-N-CA 123.059 2.506 . . . . 0.0 112.269 177.155 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 62' ' ' SER . . . . . 0.427 ' HB2' HD22 ' B' ' 65' ' ' LEU . 3.7 m -65.05 138.95 58.66 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.085 -177.848 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -63.5 -20.97 66.05 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.347 -0.842 . . . . 0.0 112.237 -172.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -66.06 -44.67 90.91 Favored Glycine 0 C--O 1.239 0.437 0 C-N-CA 120.681 -0.771 . . . . 0.0 111.543 176.313 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 65' ' ' LEU . . . . . 0.427 HD22 ' HB2' ' B' ' 62' ' ' SER . 3.3 mm? -66.53 -35.48 80.35 Favored 'General case' 0 C--O 1.222 -0.363 0 N-CA-C 109.488 -0.56 . . . . 0.0 109.488 175.571 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 66' ' ' ILE . . . . . 0.459 ' O ' ' HB3' ' B' ' 69' ' ' TRP . 35.7 mm -63.32 -35.2 71.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.691 176.792 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 67' ' ' ASN . . . . . . . . . . . . . 28.0 t-20 -65.46 -43.21 91.03 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.685 178.405 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 68' ' ' ARG . . . . . . . . . . . . . 33.3 ttm180 -82.38 -18.4 42.16 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.391 0.615 . . . . 0.0 110.246 -179.224 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 69' ' ' TRP . . . . . 0.549 ' NE1' HD11 ' A' ' 95' ' ' ILE . 22.7 t90 -55.58 -47.85 75.76 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.089 -0.96 . . . . 0.0 110.464 175.914 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 70' ' ' GLY . . . . . 0.407 ' HA2' ' HG3' ' A' ' 98' ' ' ARG . . . -82.8 8.68 61.9 Favored Glycine 0 N--CA 1.448 -0.557 0 C-N-CA 120.91 -0.662 . . . . 0.0 112.773 178.014 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 71' ' ' SER . . . . . . . . . . . . . 13.8 t -92.4 -11.16 35.63 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 109.518 -0.549 . . . . 0.0 109.518 177.046 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 72' ' ' VAL . . . . . . . . . . . . . 17.6 t -74.8 136.49 25.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 N-CA-C 108.77 -0.826 . . . . 0.0 108.77 174.855 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 73' ' ' GLY . . . . . . . . . . . . . . . -76.97 35.53 1.46 Allowed Glycine 0 CA--C 1.522 0.492 0 N-CA-C 114.705 0.642 . . . . 0.0 114.705 -170.298 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 74' ' ' LYS . . . . . . . . . . . . . 58.0 mttp 62.4 -71.3 0.05 OUTLIER 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 123.762 0.825 . . . . 0.0 112.566 175.411 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 75' ' ' LYS . . . . . . . . . . . . . 21.8 tptm -58.77 -36.66 74.77 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.918 0.39 . . . . 0.0 110.262 178.372 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 76' ' ' GLU . . . . . 0.402 ' O ' HG13 ' B' ' 80' ' ' ILE . 15.8 tp10 -60.9 -43.15 98.91 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.003 -0.544 . . . . 0.0 109.884 176.652 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 77' ' ' ALA . . . . . . . . . . . . . . . -62.58 -38.53 90.47 Favored 'General case' 0 C--O 1.224 -0.259 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.435 178.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 78' ' ' MET . . . . . . . . . . . . . 65.1 mtt -59.04 -39.55 82.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.123 0.487 . . . . 0.0 110.262 177.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 79' ' ' GLU . . . . . . . . . . . . . 19.8 mm-40 -71.75 -45.64 61.07 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.503 -0.771 . . . . 0.0 111.134 178.664 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 80' ' ' ILE . . . . . 0.402 HG13 ' O ' ' B' ' 76' ' ' GLU . 89.2 mt -60.67 -50.14 81.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.778 178.362 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 81' ' ' ILE . . . . . . . . . . . . . 36.2 mm -64.35 -35.34 73.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.282 -178.074 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 82' ' ' LYS . . . . . . . . . . . . . 23.2 tptm -63.17 -44.47 95.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.975 0.417 . . . . 0.0 110.121 177.902 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 83' ' ' LYS . . . . . . . . . . . . . 63.7 tttm -70.77 -32.32 69.42 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.124 178.251 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 84' ' ' PHE . . . . . 0.541 ' HA ' ' CZ ' ' A' ' 56' ' ' PHE . 5.3 t80 -62.34 -53.68 51.57 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.649 -0.705 . . . . 0.0 109.798 177.94 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 85' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -59.03 -36.77 75.55 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.852 177.106 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 86' ' ' LYS . . . . . . . . . . . . . 53.7 tptt -66.75 -40.13 88.18 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.855 -179.234 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 87' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -68.61 -38.41 80.56 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 109.52 -0.548 . . . . 0.0 109.52 178.505 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 88' ' ' LEU . . . . . 0.531 ' HG ' ' O ' ' B' ' 84' ' ' PHE . 92.7 mt -62.01 -37.16 83.84 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.552 175.888 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 89' ' ' ALA . . . . . 0.524 ' O ' ' HG3' ' B' ' 93' ' ' ARG . . . -62.59 -48.66 78.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.78 179.336 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 90' ' ' ALA . . . . . 0.545 ' O ' HG13 ' B' ' 94' ' ' ILE . . . -61.96 -45.61 92.89 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.276 177.573 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 91' ' ' MET . . . . . 0.634 ' SD ' HD22 ' A' ' 51' ' ' LEU . 49.5 ttp -56.1 -44.62 79.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.489 -0.778 . . . . 0.0 110.744 178.004 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 92' ' ' LEU . . . . . . . . . . . . . 67.4 tp -57.64 -41.92 82.38 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.599 -0.728 . . . . 0.0 111.255 179.116 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 93' ' ' ARG . . . . . 0.524 ' HG3' ' O ' ' B' ' 89' ' ' ALA . 30.7 mtm180 -64.35 -34.12 77.42 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.514 -179.645 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 94' ' ' ILE . . . . . 0.545 HG13 ' O ' ' B' ' 90' ' ' ALA . 11.9 mt -74.45 -26.4 20.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.421 179.096 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 95' ' ' ILE . . . . . 0.545 HD11 ' NE1' ' A' ' 69' ' ' TRP . 22.1 mm -60.9 -44.76 98.54 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.151 0 CA-C-O 121.705 0.764 . . . . 0.0 109.107 171.812 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 96' ' ' ASN . . . . . . . . . . . . . 45.6 t30 -65.12 -29.34 70.19 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.167 -0.924 . . . . 0.0 109.82 176.316 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 97' ' ' ALA . . . . . . . . . . . . . . . -82.36 2.39 32.55 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.67 -0.696 . . . . 0.0 111.702 178.791 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 98' ' ' ARG . . . . . 0.417 ' HG2' ' O ' ' B' ' 94' ' ' ILE . 6.4 mmp_? -77.47 61.07 2.19 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-O 121.534 0.683 . . . . 0.0 109.646 175.745 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 99' ' ' LYS . . . . . . . . . . . . . 50.9 tttm 174.53 -49.9 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 107.333 -1.358 . . . . 0.0 107.333 -177.446 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 100' ' ' GLU . . . . . 0.51 ' O ' ' HB2' ' B' ' 101' ' ' LYS . 39.2 tt0 177.68 -66.37 0.01 OUTLIER 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 113.352 -1.749 . . . . 0.0 108.024 -179.737 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 101' ' ' LYS . . . . . 0.51 ' HB2' ' O ' ' B' ' 100' ' ' GLU . 4.7 tppp? 161.81 -38.7 0.0 OUTLIER 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 114.437 -1.256 . . . . 0.0 108.133 -179.047 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 102' ' ' LYS . . . . . . . . . . . . . 54.9 mtmt -92.49 142.87 26.94 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 114.937 -1.029 . . . . 0.0 110.095 178.152 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 103' ' ' ARG . . . . . . . . . . . . . 6.5 ppt_? -78.98 -4.7 51.26 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.488 -176.678 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 104' ' ' ARG . . . . . . . . . . . . . 80.6 mtp180 . . . . . 0 C--O 1.246 0.917 0 CA-C-O 118.662 -0.685 . . . . 0.0 110.02 175.602 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.057 0 CA-C-O 120.826 0.346 . . . . 0.0 110.797 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -60.14 -28.61 66.85 Favored Glycine 0 N--CA 1.451 -0.341 0 CA-C-N 115.952 -0.567 . . . . 0.0 112.589 -179.299 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 92.7 mt -64.16 -22.95 67.14 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 120.875 0.369 . . . . 0.0 111.057 178.328 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 86.9 mt -94.65 -32.86 13.2 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.877 0.37 . . . . 0.0 110.639 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -83.58 -11.84 56.85 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.464 -178.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 88.1 31.37 14.65 Favored Glycine 0 N--CA 1.448 -0.515 0 C-N-CA 120.669 -0.776 . . . . 0.0 111.888 179.812 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 55.6 t-80 -133.53 70.49 1.46 Allowed 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 109.574 -0.528 . . . . 0.0 109.574 -179.528 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -97.92 175.87 30.29 Favored Glycine 0 N--CA 1.447 -0.587 0 C-N-CA 120.706 -0.759 . . . . 0.0 111.694 179.195 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.449 ' O ' HG21 ' A' ' 47' ' ' VAL . 32.4 Cg_exo -59.77 170.56 3.46 Favored 'Trans proline' 0 C--N 1.344 0.336 0 C-N-CA 123.028 2.485 . . . . 0.0 112.252 177.325 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.537 ' HB ' HG12 ' A' ' 72' ' ' VAL . 35.4 pt -52.63 -43.28 43.2 Favored 'Isoleucine or valine' 0 C--O 1.24 0.604 0 N-CA-C 112.664 0.616 . . . . 0.0 112.664 -172.162 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 88.8 mtt180 -65.1 -40.48 94.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.124 0.488 . . . . 0.0 110.729 178.749 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' MET . . . . . 0.623 ' O ' HG13 ' A' ' 50' ' ' ILE . 1.8 mpt? -69.47 -25.88 64.3 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.855 176.399 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.498 ' HB ' ' O ' ' A' ' 44' ' ' ILE . 74.9 t -56.73 -48.73 80.45 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.152 0 N-CA-C 109.541 -0.54 . . . . 0.0 109.541 174.009 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -62.19 -38.0 87.43 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.969 -0.56 . . . . 0.0 111.086 176.005 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -63.11 -50.99 68.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.465 178.471 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.623 HG13 ' O ' ' A' ' 46' ' ' MET . 44.9 mt -65.75 -32.84 59.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.063 179.866 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 12.8 tp -60.05 -53.93 52.02 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.119 176.111 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.66 -38.96 82.88 Favored 'General case' 0 CA--C 1.518 -0.26 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.847 179.83 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 82.5 t80 -53.18 -64.2 0.9 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.17 175.263 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.402 HD11 ' HA ' ' A' ' 61' ' ' PRO . 74.6 mt -58.03 -40.21 80.32 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.944 -178.195 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 21.5 mmm180 -64.11 -53.61 46.94 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 112.357 0.502 . . . . 0.0 112.357 -178.811 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . 0.512 ' CZ ' HG22 ' B' ' 80' ' ' ILE . 5.6 t80 -79.17 -8.11 58.74 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 120.862 0.363 . . . . 0.0 110.892 -173.897 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' THR . . . . . 0.434 ' HA ' ' HG3' ' B' ' 46' ' ' MET . 49.4 p -97.9 -1.86 42.0 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.141 0.496 . . . . 0.0 110.144 173.378 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . 64.91 33.97 9.5 Favored 'General case' 0 N--CA 1.465 0.275 0 CA-C-N 114.906 -1.043 . . . . 0.0 111.896 179.29 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 65.7 mt -101.57 145.3 11.81 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.684 0 N-CA-C 108.758 -0.83 . . . . 0.0 108.758 174.414 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 60.5 tttp -63.99 119.83 58.62 Favored Pre-proline 0 C--N 1.328 -0.33 0 N-CA-C 110.447 -0.205 . . . . 0.0 110.447 178.153 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . 0.402 ' HA ' HD11 ' A' ' 54' ' ' LEU . 31.7 Cg_exo -59.23 115.21 2.41 Favored 'Trans proline' 0 N--CA 1.46 -0.497 0 C-N-CA 122.463 2.109 . . . . 0.0 111.265 175.748 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 8.6 m -57.03 147.61 23.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.853 -179.376 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 98.3 mt -61.89 -23.45 66.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.269 -0.878 . . . . 0.0 112.081 -173.743 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -62.5 -43.85 98.43 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.5 -0.857 . . . . 0.0 111.538 174.503 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.521 ' O ' ' HB2' ' A' ' 69' ' ' TRP . 3.5 mm? -66.71 -43.88 83.13 Favored 'General case' 0 C--O 1.221 -0.406 0 N-CA-C 109.94 -0.393 . . . . 0.0 109.94 177.775 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 40.9 mm -66.48 -34.8 72.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.399 -177.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 65.4 t30 -70.5 -42.87 70.76 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.785 -179.158 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 67.7 ttt180 -86.74 -12.88 46.91 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.217 0.532 . . . . 0.0 110.171 -177.473 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' TRP . . . . . 0.521 ' HB2' ' O ' ' A' ' 65' ' ' LEU . 16.0 t90 -51.31 -53.26 37.62 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.005 -0.998 . . . . 0.0 110.897 178.526 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -86.75 20.57 23.28 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.547 -0.835 . . . . 0.0 112.17 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 23.1 t -123.34 10.06 9.2 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.365 0.602 . . . . 0.0 109.718 178.547 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.537 HG12 ' HB ' ' A' ' 44' ' ' ILE . 78.8 t -81.31 -16.84 12.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-O 122.502 1.144 . . . . 0.0 110.635 179.525 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 80.79 119.82 0.43 Allowed Glycine 0 C--N 1.304 -1.211 0 CA-C-N 113.628 -1.623 . . . . 0.0 110.114 -169.647 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.504 ' O ' ' HG3' ' A' ' 78' ' ' MET . 9.6 ptpp? -63.98 -22.14 66.8 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 117.356 0.578 . . . . 0.0 109.915 -176.782 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 52.8 tptt -63.96 -54.28 36.99 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.432 -0.804 . . . . 0.0 110.174 173.802 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 20.2 tp10 -67.21 -35.99 80.77 Favored 'General case' 0 N--CA 1.451 -0.383 0 CA-C-N 115.565 -0.743 . . . . 0.0 109.954 179.296 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . 0.593 ' O ' HG12 ' A' ' 81' ' ' ILE . . . -57.32 -43.53 83.38 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.585 -0.28 . . . . 0.0 110.706 177.724 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' MET . . . . . 0.608 ' O ' ' HG2' ' A' ' 82' ' ' LYS . 68.6 mtt -59.52 -48.69 80.66 Favored 'General case' 0 CA--C 1.52 -0.191 0 N-CA-C 109.885 -0.413 . . . . 0.0 109.885 176.115 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . 0.4 ' HB3' ' HZ2' ' A' ' 83' ' ' LYS . 51.4 mm-40 -57.87 -42.12 83.89 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.579 -0.737 . . . . 0.0 111.144 178.678 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . 0.525 HG22 ' CZ ' ' B' ' 56' ' ' PHE . 93.0 mt -60.57 -56.04 20.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-N 115.555 -0.748 . . . . 0.0 110.958 176.758 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . 0.593 HG12 ' O ' ' A' ' 77' ' ' ALA . 48.4 mm -56.4 -41.83 72.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.205 -176.583 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . 0.608 ' HG2' ' O ' ' A' ' 78' ' ' MET . 34.3 mmtp -60.0 -54.03 50.8 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.481 -0.327 . . . . 0.0 110.995 179.367 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . 0.4 ' HZ2' ' HB3' ' A' ' 79' ' ' GLU . 57.9 mttp -71.69 -24.98 61.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.896 -176.628 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . 0.418 ' O ' ' HG ' ' A' ' 88' ' ' LEU . 1.7 t80 -64.91 -48.7 73.2 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 109.04 -0.726 . . . . 0.0 109.04 175.349 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . 0.467 ' HG3' ' O ' ' A' ' 81' ' ' ILE . 97.9 mttt -61.72 -34.94 76.68 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.473 -0.785 . . . . 0.0 111.035 178.676 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . 0.584 ' HG2' ' O ' ' A' ' 82' ' ' LYS . 32.0 mmmt -64.87 -43.52 92.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.295 -0.412 . . . . 0.0 111.046 -179.762 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -70.12 -36.11 74.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.297 -0.41 . . . . 0.0 109.962 -179.305 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.421 ' HB3' HD11 ' B' ' 81' ' ' ILE . 90.2 mt -61.95 -47.96 82.53 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.517 177.005 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -63.22 -36.21 82.9 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.78 -0.645 . . . . 0.0 110.957 -179.871 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . 0.554 ' O ' HG13 ' A' ' 94' ' ' ILE . . . -64.29 -49.66 70.94 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.527 177.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' MET . . . . . 0.569 ' O ' HG12 ' A' ' 95' ' ' ILE . 23.3 mmt -61.55 -36.91 81.95 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.926 -179.933 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.418 ' HB2' HG13 ' B' ' 81' ' ' ILE . 68.5 tp -56.19 -49.57 73.68 Favored 'General case' 0 C--O 1.239 0.539 0 CA-C-O 121.33 0.586 . . . . 0.0 110.854 176.389 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 72.7 ttt180 -61.6 -34.61 75.93 Favored 'General case' 0 N--CA 1.442 -0.86 0 CA-C-N 115.561 -0.745 . . . . 0.0 110.549 -179.762 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . 0.554 HG13 ' O ' ' A' ' 90' ' ' ALA . 36.9 mt -72.32 -31.32 38.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.451 -0.34 . . . . 0.0 110.709 179.057 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . 0.569 HG12 ' O ' ' A' ' 91' ' ' MET . 23.1 mm -55.13 -47.85 76.83 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.227 0 N-CA-C 109.37 -0.604 . . . . 0.0 109.37 173.736 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 41.3 t30 -69.08 -41.25 77.79 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.474 -0.784 . . . . 0.0 110.566 176.818 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -62.75 -17.5 61.03 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 112.548 0.573 . . . . 0.0 112.548 -174.3 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . 0.538 ' HG3' ' O ' ' A' ' 94' ' ' ILE . 19.6 mtp180 -67.43 -16.54 64.29 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.967 0.413 . . . . 0.0 110.797 177.27 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 2.0 ptpp? -138.14 -62.87 0.57 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.968 177.824 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 56.34 43.17 26.74 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-O 120.993 0.425 . . . . 0.0 111.328 179.181 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 29.4 mtpp 56.68 38.35 29.48 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.355 -0.839 . . . . 0.0 111.864 177.464 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 18.7 ptpt -75.21 128.84 36.37 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.887 0.375 . . . . 0.0 110.331 177.342 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 32.5 ptt180 -155.03 113.74 3.56 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 121.2 0.524 . . . . 0.0 110.316 178.099 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 82.2 mtp180 . . . . . 0 C--O 1.247 0.934 0 CA-C-O 118.421 -0.8 . . . . 0.0 110.046 -179.635 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.015 0 CA-C-O 120.855 0.36 . . . . 0.0 110.618 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 36' ' ' GLY . . . . . . . . . . . . . . . -60.38 -28.26 66.92 Favored Glycine 0 N--CA 1.45 -0.369 0 CA-C-N 115.986 -0.552 . . . . 0.0 112.565 -179.195 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 92.6 mt -64.79 -22.38 66.97 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 120.851 0.357 . . . . 0.0 111.054 178.541 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 86.6 mt -94.96 -33.01 12.92 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.462 -0.335 . . . . 0.0 110.646 179.802 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -83.72 -11.42 57.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.551 -179.007 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . 88.11 30.65 16.48 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.699 -0.762 . . . . 0.0 111.928 179.576 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 41' ' ' HIS . . . . . . . . . . . . . 55.5 t-80 -132.95 70.78 1.47 Allowed 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 109.596 -0.52 . . . . 0.0 109.596 -179.489 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 42' ' ' GLY . . . . . . . . . . . . . . . -98.48 175.15 28.99 Favored Glycine 0 N--CA 1.448 -0.528 0 C-N-CA 120.63 -0.795 . . . . 0.0 111.712 179.156 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 43' ' ' PRO . . . . . 0.447 ' O ' HG21 ' B' ' 47' ' ' VAL . 33.2 Cg_exo -59.15 170.62 2.8 Favored 'Trans proline' 0 C--N 1.343 0.259 0 C-N-CA 123.056 2.504 . . . . 0.0 112.331 177.597 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . 0.517 ' HB ' HG12 ' B' ' 72' ' ' VAL . 35.6 pt -52.74 -43.19 44.12 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.598 0 N-CA-C 112.54 0.57 . . . . 0.0 112.54 -171.944 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 89.1 mtt180 -65.28 -40.27 93.65 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.107 0.48 . . . . 0.0 110.721 178.902 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 46' ' ' MET . . . . . 0.609 ' O ' HG13 ' B' ' 50' ' ' ILE . 1.8 mpt? -69.77 -25.76 63.96 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.731 176.358 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 47' ' ' VAL . . . . . 0.498 ' HB ' ' O ' ' B' ' 44' ' ' ILE . 74.5 t -56.74 -48.69 80.51 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.178 0 N-CA-C 109.59 -0.522 . . . . 0.0 109.59 173.953 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -62.15 -38.02 87.43 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.091 175.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -63.1 -51.01 68.26 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.884 0.373 . . . . 0.0 111.437 178.53 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 50' ' ' ILE . . . . . 0.609 HG13 ' O ' ' B' ' 46' ' ' MET . 45.3 mt -65.75 -32.76 59.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.021 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 12.8 tp -60.19 -53.86 52.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.747 -0.66 . . . . 0.0 110.061 176.199 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.62 -38.95 82.71 Favored 'General case' 0 CA--C 1.517 -0.294 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.846 179.809 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 53' ' ' PHE . . . . . . . . . . . . . 82.6 t80 -53.28 -64.28 0.87 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.161 175.326 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 54' ' ' LEU . . . . . 0.41 HD11 ' HA ' ' B' ' 61' ' ' PRO . 74.9 mt -57.82 -40.35 79.8 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.888 -178.262 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 55' ' ' ARG . . . . . . . . . . . . . 21.5 mmm180 -64.21 -52.91 56.53 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 112.496 0.554 . . . . 0.0 112.496 -178.648 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 56' ' ' PHE . . . . . 0.525 ' CZ ' HG22 ' A' ' 80' ' ' ILE . 5.6 t80 -80.03 -7.54 58.89 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 120.913 0.387 . . . . 0.0 110.854 -174.074 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 57' ' ' THR . . . . . 0.447 ' HA ' ' HG3' ' A' ' 46' ' ' MET . 49.9 p -98.43 -1.2 41.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.056 0.455 . . . . 0.0 110.112 173.14 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . 64.1 34.33 11.25 Favored 'General case' 0 C--O 1.233 0.189 0 CA-C-N 115.019 -0.991 . . . . 0.0 111.942 179.337 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 59' ' ' ILE . . . . . . . . . . . . . 66.1 mt -102.08 144.79 12.86 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.674 0 N-CA-C 108.877 -0.786 . . . . 0.0 108.877 174.396 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 60.9 tttp -63.45 119.79 56.59 Favored Pre-proline 0 C--N 1.329 -0.313 0 N-CA-C 110.423 -0.214 . . . . 0.0 110.423 178.457 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 61' ' ' PRO . . . . . 0.41 ' HA ' HD11 ' B' ' 54' ' ' LEU . 32.2 Cg_exo -59.27 115.4 2.55 Favored 'Trans proline' 0 N--CA 1.46 -0.457 0 C-N-CA 122.366 2.044 . . . . 0.0 111.331 175.853 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 9.7 m -57.22 147.45 25.17 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.321 0.581 . . . . 0.0 110.886 -179.275 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 97.5 mt -61.82 -23.45 66.25 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.179 -0.919 . . . . 0.0 112.039 -173.625 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -62.77 -43.66 98.61 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.55 -0.834 . . . . 0.0 111.519 174.487 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 65' ' ' LEU . . . . . 0.507 ' O ' ' HB2' ' B' ' 69' ' ' TRP . 3.5 mm? -66.59 -44.14 82.99 Favored 'General case' 0 C--O 1.22 -0.47 0 N-CA-C 109.932 -0.395 . . . . 0.0 109.932 177.457 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 66' ' ' ILE . . . . . . . . . . . . . 41.3 mm -66.2 -34.75 72.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.393 -177.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 67' ' ' ASN . . . . . . . . . . . . . 65.4 t30 -70.58 -42.94 70.4 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.685 -178.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 68' ' ' ARG . . . . . . . . . . . . . 67.9 ttt180 -86.81 -12.73 47.14 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.248 0.547 . . . . 0.0 110.138 -177.399 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 69' ' ' TRP . . . . . 0.507 ' HB2' ' O ' ' B' ' 65' ' ' LEU . 15.9 t90 -51.41 -53.1 40.12 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.009 -0.996 . . . . 0.0 110.955 178.499 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . -86.59 20.19 24.58 Favored Glycine 0 N--CA 1.45 -0.432 0 C-N-CA 120.529 -0.843 . . . . 0.0 112.187 -179.877 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 71' ' ' SER . . . . . . . . . . . . . 18.1 t -123.1 9.72 9.32 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.349 0.595 . . . . 0.0 109.642 178.683 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 72' ' ' VAL . . . . . 0.517 HG12 ' HB ' ' B' ' 44' ' ' ILE . 79.3 t -80.51 -17.23 12.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 122.348 1.071 . . . . 0.0 110.592 179.552 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 73' ' ' GLY . . . . . . . . . . . . . . . 81.23 120.05 0.48 Allowed Glycine 0 C--N 1.304 -1.217 0 CA-C-N 113.648 -1.614 . . . . 0.0 110.091 -169.575 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 74' ' ' LYS . . . . . 0.505 ' O ' ' HG3' ' B' ' 78' ' ' MET . 9.6 ptpp? -64.4 -21.79 66.75 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 117.427 0.614 . . . . 0.0 109.946 -176.631 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 75' ' ' LYS . . . . . . . . . . . . . 52.7 tptt -64.36 -54.44 32.96 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.423 -0.808 . . . . 0.0 110.031 173.724 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 20.8 tp10 -66.85 -35.94 81.19 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.083 179.271 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 77' ' ' ALA . . . . . 0.607 ' O ' HG12 ' B' ' 81' ' ' ILE . . . -57.45 -43.68 84.16 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.674 177.818 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 78' ' ' MET . . . . . 0.595 ' O ' ' HG2' ' B' ' 82' ' ' LYS . 68.5 mtt -59.15 -49.1 79.14 Favored 'General case' 0 CA--C 1.52 -0.199 0 N-CA-C 109.782 -0.451 . . . . 0.0 109.782 176.137 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 79' ' ' GLU . . . . . 0.402 ' HB3' ' HZ2' ' B' ' 83' ' ' LYS . 45.8 mm-40 -57.71 -42.04 82.96 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.514 -0.767 . . . . 0.0 111.255 178.737 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 80' ' ' ILE . . . . . 0.512 HG22 ' CZ ' ' A' ' 56' ' ' PHE . 93.2 mt -60.5 -56.23 19.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-N 115.582 -0.735 . . . . 0.0 110.935 176.613 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 81' ' ' ILE . . . . . 0.607 HG12 ' O ' ' B' ' 77' ' ' ALA . 48.4 mm -56.17 -41.95 71.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.172 -176.625 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 82' ' ' LYS . . . . . 0.595 ' HG2' ' O ' ' B' ' 78' ' ' MET . 34.3 mmtp -59.96 -53.9 52.37 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.112 179.427 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 83' ' ' LYS . . . . . 0.402 ' HZ2' ' HB3' ' B' ' 79' ' ' GLU . 57.9 mttp -71.79 -24.95 61.83 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.915 -176.891 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 84' ' ' PHE . . . . . 0.419 ' O ' ' HG ' ' B' ' 88' ' ' LEU . 1.7 t80 -64.9 -48.64 73.47 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 109.093 -0.706 . . . . 0.0 109.093 175.413 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 85' ' ' LYS . . . . . 0.463 ' HG3' ' O ' ' B' ' 81' ' ' ILE . 97.7 mttt -61.81 -35.07 77.14 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.372 -0.831 . . . . 0.0 111.108 178.722 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 86' ' ' LYS . . . . . 0.592 ' HG2' ' O ' ' B' ' 82' ' ' LYS . 32.0 mmmt -64.36 -44.19 92.17 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.917 179.915 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 87' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -69.82 -36.03 75.28 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.035 0.445 . . . . 0.0 110.001 -178.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 88' ' ' LEU . . . . . 0.429 ' HB3' HD11 ' A' ' 81' ' ' ILE . 89.9 mt -61.86 -47.92 82.85 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.563 176.892 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -63.55 -35.9 82.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.897 -179.816 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 90' ' ' ALA . . . . . 0.531 ' O ' HG13 ' B' ' 94' ' ' ILE . . . -64.31 -49.73 70.6 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.396 177.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 91' ' ' MET . . . . . 0.564 ' O ' HG12 ' B' ' 95' ' ' ILE . 23.3 mmt -61.56 -36.73 81.45 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.03 -179.894 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 92' ' ' LEU . . . . . 0.42 ' HB2' HG13 ' A' ' 81' ' ' ILE . 68.6 tp -56.4 -49.52 74.27 Favored 'General case' 0 C--O 1.24 0.56 0 CA-C-O 121.348 0.594 . . . . 0.0 110.833 176.379 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 93' ' ' ARG . . . . . . . . . . . . . 72.8 ttt180 -61.48 -34.8 76.08 Favored 'General case' 0 N--CA 1.442 -0.848 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.484 -179.88 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 94' ' ' ILE . . . . . 0.535 ' O ' ' HG3' ' B' ' 98' ' ' ARG . 36.3 mt -72.17 -31.37 39.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.46 -0.336 . . . . 0.0 110.714 179.111 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 95' ' ' ILE . . . . . 0.564 HG12 ' O ' ' B' ' 91' ' ' MET . 23.2 mm -55.15 -47.75 77.0 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.282 0 N-CA-C 109.401 -0.592 . . . . 0.0 109.401 173.73 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 96' ' ' ASN . . . . . . . . . . . . . 41.5 t30 -69.22 -41.2 77.34 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.544 -0.753 . . . . 0.0 110.567 176.882 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 97' ' ' ALA . . . . . . . . . . . . . . . -62.56 -17.99 61.13 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 112.604 0.594 . . . . 0.0 112.604 -174.405 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 98' ' ' ARG . . . . . 0.535 ' HG3' ' O ' ' B' ' 94' ' ' ILE . 19.7 mtp180 -67.14 -16.27 64.22 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.906 0.384 . . . . 0.0 110.834 177.313 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 99' ' ' LYS . . . . . . . . . . . . . 2.0 ptpp? -138.53 -62.37 0.57 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.077 177.856 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 100' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER 55.85 43.37 27.69 Favored 'General case' 0 C--O 1.237 0.415 0 CA-C-O 120.927 0.394 . . . . 0.0 111.296 178.921 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 101' ' ' LYS . . . . . . . . . . . . . 29.4 mtpp 56.55 38.36 29.55 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-N 115.325 -0.852 . . . . 0.0 111.801 177.381 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 102' ' ' LYS . . . . . . . . . . . . . 18.7 ptpt -75.08 128.38 35.4 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.887 0.375 . . . . 0.0 110.335 177.515 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 103' ' ' ARG . . . . . . . . . . . . . 32.7 ptt180 -154.67 113.97 3.7 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.395 0.617 . . . . 0.0 110.531 177.788 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 104' ' ' ARG . . . . . . . . . . . . . 82.1 mtp180 . . . . . 0 C--O 1.248 0.982 0 CA-C-O 118.43 -0.795 . . . . 0.0 109.597 -179.948 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.071 0 CA-C-O 120.936 0.398 . . . . 0.0 110.399 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -63.91 -22.92 67.05 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 121.112 -0.565 . . . . 0.0 113.257 -175.2 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.418 HD21 ' O ' ' A' ' 37' ' ' LEU . 5.2 tt -69.55 -36.26 76.17 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 120.968 0.413 . . . . 0.0 110.061 -179.284 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -92.05 -32.45 15.18 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.458 -175.909 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -93.8 -9.92 35.87 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.536 -0.302 . . . . 0.0 111.572 -176.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 84.99 -3.32 87.43 Favored Glycine 0 N--CA 1.453 -0.215 0 C-N-CA 120.622 -0.799 . . . . 0.0 112.068 -179.385 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 29.8 t60 -81.94 61.42 5.24 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.438 0.637 . . . . 0.0 109.829 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.418 ' HA2' ' HD3' ' A' ' 43' ' ' PRO . . . -93.33 135.15 12.47 Favored Glycine 0 N--CA 1.442 -0.908 0 CA-C-N 115.547 -0.751 . . . . 0.0 111.85 178.722 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.5 ' O ' HG21 ' A' ' 47' ' ' VAL . 23.5 Cg_exo -64.65 176.59 2.75 Favored 'Trans proline' 0 C--N 1.343 0.254 0 C-N-CA 122.811 2.341 . . . . 0.0 112.112 176.28 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 22.0 pt -51.14 -39.26 19.99 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.395 0 N-CA-C 112.627 0.603 . . . . 0.0 112.627 -173.823 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 97.7 mtt180 -61.54 -45.58 93.56 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.284 0.564 . . . . 0.0 110.634 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' MET . . . . . 0.551 ' HG2' ' HA ' ' B' ' 57' ' ' THR . 72.5 mtp -70.48 -28.04 64.68 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.63 -0.714 . . . . 0.0 111.154 -179.631 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.5 HG21 ' O ' ' A' ' 43' ' ' PRO . 83.3 t -61.86 -48.18 89.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 120.777 0.323 . . . . 0.0 110.419 177.251 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 87.4 mt -64.52 -37.9 89.14 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.622 178.338 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -66.15 -48.99 68.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.563 179.16 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 15.9 tt -71.36 -26.83 27.37 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-O 120.733 0.301 . . . . 0.0 110.667 -177.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.653 ' O ' ' HG2' ' A' ' 55' ' ' ARG . 11.7 tp -65.33 -54.3 30.94 Favored 'General case' 0 N--CA 1.451 -0.415 0 N-CA-C 109.7 -0.481 . . . . 0.0 109.7 177.097 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -56.93 -40.12 75.76 Favored 'General case' 0 CA--C 1.516 -0.33 0 O-C-N 123.35 0.407 . . . . 0.0 110.303 178.345 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 0.409 ' CE1' HG23 ' A' ' 57' ' ' THR . 71.1 t80 -51.13 -60.82 2.69 Favored 'General case' 0 N--CA 1.451 -0.399 0 CA-C-N 115.406 -0.815 . . . . 0.0 109.871 173.136 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 96.1 mt -63.08 -23.32 67.39 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.304 -0.407 . . . . 0.0 112.087 -178.466 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.653 ' HG2' ' O ' ' A' ' 51' ' ' LEU . 15.9 mmm180 -72.22 -43.78 63.92 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-O 120.773 0.321 . . . . 0.0 111.073 178.58 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . 0.512 ' CZ ' ' HA ' ' B' ' 84' ' ' PHE . 57.9 m-85 -96.56 -14.99 21.85 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 112.172 0.434 . . . . 0.0 112.172 -175.213 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' THR . . . . . 0.535 ' HA ' ' HG2' ' B' ' 46' ' ' MET . 73.2 p -100.8 -23.96 14.49 Favored 'General case' 0 C--N 1.325 -0.488 0 C-N-CA 120.284 -0.566 . . . . 0.0 111.602 178.753 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -131.5 -164.7 1.48 Allowed 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.691 -175.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 50.0 mm -93.38 -67.64 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-O 121.589 0.709 . . . . 0.0 110.701 179.568 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -131.33 127.01 21.61 Favored Pre-proline 0 C--N 1.301 -1.541 0 CA-C-N 114.523 -1.217 . . . . 0.0 110.936 -178.438 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 28.6 Cg_exo -63.32 151.36 85.25 Favored 'Trans proline' 0 C--N 1.344 0.304 0 C-N-CA 123.093 2.528 . . . . 0.0 112.324 176.113 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 14.7 m -65.79 147.56 53.18 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.663 -0.699 . . . . 0.0 111.123 179.909 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 88.8 mt -63.53 -19.96 65.22 Favored 'General case' 0 C--N 1.334 -0.105 0 CA-C-N 115.268 -0.878 . . . . 0.0 112.066 -173.851 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -62.96 -46.18 94.1 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.895 -0.669 . . . . 0.0 111.503 174.808 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -67.62 -38.49 83.99 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 109.636 -0.505 . . . . 0.0 109.636 177.206 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 47.2 mm -61.91 -35.15 66.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.89 178.191 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 27.5 t-20 -69.42 -41.44 76.34 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.901 179.028 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 27.9 ttm180 -79.56 -18.53 51.54 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.349 0.595 . . . . 0.0 110.084 -178.776 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' TRP . . . . . 0.547 ' NE1' HD11 ' B' ' 95' ' ' ILE . 16.9 t90 -58.61 -47.73 83.37 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 114.918 -1.037 . . . . 0.0 110.997 179.328 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -78.21 0.49 73.86 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.814 -0.708 . . . . 0.0 112.681 -179.807 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 19.4 m -92.02 -3.98 55.1 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.09 0.471 . . . . 0.0 110.512 179.701 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 45.6 t -77.64 140.58 16.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-N 115.89 -0.595 . . . . 0.0 109.996 178.004 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -64.71 135.8 38.46 Favored Glycine 0 N--CA 1.439 -1.106 0 N-CA-C 110.512 -1.035 . . . . 0.0 110.512 174.467 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.466 ' O ' ' HG3' ' A' ' 78' ' ' MET . 30.5 mmtm -68.04 -33.36 74.43 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-O 121.162 0.506 . . . . 0.0 109.721 -173.032 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 20.7 tptm -69.21 -47.43 64.83 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.363 -0.835 . . . . 0.0 110.023 174.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . 0.434 ' O ' HG13 ' A' ' 80' ' ' ILE . 5.1 tp10 -59.72 -43.83 93.98 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.358 -0.837 . . . . 0.0 109.936 -179.471 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -58.36 -42.53 87.12 Favored 'General case' 0 N--CA 1.453 -0.292 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.908 179.038 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' MET . . . . . 0.466 ' HG3' ' O ' ' A' ' 74' ' ' LYS . 61.1 mtt -58.16 -43.96 87.7 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-O 120.932 0.396 . . . . 0.0 110.646 179.43 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . 0.458 ' O ' ' HG3' ' A' ' 83' ' ' LYS . 36.5 mt-10 -72.39 -40.42 67.24 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.773 -0.649 . . . . 0.0 111.209 -178.788 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . 0.434 HG13 ' O ' ' A' ' 76' ' ' GLU . 96.4 mt -62.04 -47.98 90.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.683 0.278 . . . . 0.0 110.598 178.39 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 39.1 mm -61.02 -37.05 76.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.716 178.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . 0.431 ' HB2' ' HZ1' ' A' ' 82' ' ' LYS . 0.0 OUTLIER -62.08 -46.97 86.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.337 176.766 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . 0.458 ' HG3' ' O ' ' A' ' 79' ' ' GLU . 90.9 mttt -67.2 -35.95 80.7 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.538 179.54 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . 0.524 ' HA ' ' CZ ' ' B' ' 56' ' ' PHE . 2.2 t80 -62.41 -49.72 74.37 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.066 179.629 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -63.14 -31.59 72.77 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.735 178.489 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 16.8 tppt? -65.21 -47.3 77.35 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.409 179.147 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -68.4 -32.26 72.2 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.771 -179.605 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.454 ' HG ' ' O ' ' A' ' 84' ' ' PHE . 91.8 mt -66.03 -38.66 88.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.476 175.6 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . 0.446 ' O ' ' HG3' ' A' ' 93' ' ' ARG . . . -62.18 -47.97 82.13 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.321 177.783 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . 0.609 ' O ' HG13 ' A' ' 94' ' ' ILE . . . -60.45 -48.35 82.15 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.159 176.656 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' MET . . . . . 0.433 ' O ' HG12 ' A' ' 95' ' ' ILE . 39.4 ttm -51.9 -49.23 63.44 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.414 -0.812 . . . . 0.0 111.013 178.613 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 48.8 tp -56.74 -46.17 81.53 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.546 -0.752 . . . . 0.0 111.545 -179.236 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . 0.446 ' HG3' ' O ' ' A' ' 89' ' ' ALA . 27.0 mtm180 -64.95 -33.9 77.14 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.328 -0.397 . . . . 0.0 110.788 -177.829 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . 0.609 HG13 ' O ' ' A' ' 90' ' ' ALA . 25.9 mt -73.05 -31.2 34.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.599 -0.273 . . . . 0.0 110.556 179.462 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . 0.547 HD11 ' NE1' ' B' ' 69' ' ' TRP . 24.4 mm -55.99 -50.14 71.24 Favored 'Isoleucine or valine' 0 C--O 1.232 0.151 0 CA-C-O 121.6 0.714 . . . . 0.0 109.164 171.821 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' ASN . . . . . 0.586 ' O ' ' HG2' ' A' ' 99' ' ' LYS . 43.4 m-80 -67.46 -21.6 65.53 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.026 -0.988 . . . . 0.0 110.741 178.722 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -82.58 10.79 6.67 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 120.913 0.387 . . . . 0.0 110.662 178.036 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . 0.478 ' HA ' ' NE ' ' A' ' 98' ' ' ARG . 4.0 mmp_? -125.45 29.61 5.98 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.685 178.164 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . 0.586 ' HG2' ' O ' ' A' ' 96' ' ' ASN . 22.0 pttp -102.37 -34.48 9.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.458 -0.337 . . . . 0.0 111.31 -179.513 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . 0.41 ' HB2' ' O ' ' A' ' 99' ' ' LYS . 2.3 mp0 70.15 -48.8 0.64 Allowed 'General case' 0 N--CA 1.469 0.494 0 C-N-CA 123.465 0.706 . . . . 0.0 112.021 -177.14 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 59.0 pttt -118.37 155.55 30.5 Favored 'General case' 0 N--CA 1.447 -0.597 0 CA-C-O 120.957 0.408 . . . . 0.0 111.238 -178.313 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . 0.448 ' HG3' ' H ' ' A' ' 103' ' ' ARG . 50.7 tptt -165.61 174.71 9.57 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 108.137 -1.06 . . . . 0.0 108.137 179.651 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . 0.448 ' H ' ' HG3' ' A' ' 102' ' ' LYS . 80.5 mtp180 -60.51 -48.99 79.32 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 109.42 -0.585 . . . . 0.0 109.42 174.096 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 2.9 tmt_? . . . . . 0 C--O 1.245 0.819 0 N-CA-C 108.771 -0.825 . . . . 0.0 108.771 175.469 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 0.996 0 CA-C-O 121.067 0.461 . . . . 0.0 110.496 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 36' ' ' GLY . . . . . . . . . . . . . . . -63.63 -23.03 66.64 Favored Glycine 0 N--CA 1.451 -0.36 0 CA-C-N 115.892 -0.594 . . . . 0.0 113.175 -175.3 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . 0.437 HD21 ' O ' ' B' ' 37' ' ' LEU . 5.2 tt -69.55 -36.21 76.13 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 120.998 0.427 . . . . 0.0 110.072 -179.211 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -91.86 -33.07 15.08 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.35 -0.387 . . . . 0.0 111.383 -176.08 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -93.39 -9.48 38.53 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.657 -176.675 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . 84.92 -3.67 86.68 Favored Glycine 0 N--CA 1.453 -0.222 0 C-N-CA 120.651 -0.785 . . . . 0.0 112.054 -179.653 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 41' ' ' HIS . . . . . . . . . . . . . 30.1 t60 -81.84 61.34 5.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.502 0.668 . . . . 0.0 109.88 -179.837 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 42' ' ' GLY . . . . . . . . . . . . . . . -93.06 135.47 12.66 Favored Glycine 0 N--CA 1.44 -1.036 0 CA-C-N 115.474 -0.785 . . . . 0.0 111.844 178.477 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 43' ' ' PRO . . . . . 0.485 ' O ' HG21 ' B' ' 47' ' ' VAL . 23.5 Cg_exo -64.94 176.68 2.85 Favored 'Trans proline' 0 C--N 1.342 0.235 0 C-N-CA 122.759 2.306 . . . . 0.0 112.072 176.036 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 21.9 pt -51.05 -39.28 19.46 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.382 0 N-CA-C 112.695 0.628 . . . . 0.0 112.695 -173.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 97.7 mtt180 -61.73 -45.61 93.22 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.189 0.519 . . . . 0.0 110.566 -179.892 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 46' ' ' MET . . . . . 0.535 ' HG2' ' HA ' ' A' ' 57' ' ' THR . 72.5 mtp -70.33 -28.0 64.81 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.626 -0.716 . . . . 0.0 111.225 -179.773 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 47' ' ' VAL . . . . . 0.485 HG21 ' O ' ' B' ' 43' ' ' PRO . 83.4 t -61.84 -48.19 89.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 120.852 0.358 . . . . 0.0 110.466 177.221 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 86.5 mt -64.54 -37.8 88.8 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.586 178.378 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -66.24 -48.93 68.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.544 179.178 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 50' ' ' ILE . . . . . . . . . . . . . 15.8 tt -71.43 -26.82 27.19 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 CA-C-O 120.704 0.287 . . . . 0.0 110.668 -178.003 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 51' ' ' LEU . . . . . 0.661 ' O ' ' HG2' ' B' ' 55' ' ' ARG . 11.6 tp -65.39 -54.2 32.15 Favored 'General case' 0 N--CA 1.45 -0.454 0 N-CA-C 109.744 -0.465 . . . . 0.0 109.744 177.077 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -56.96 -40.1 75.82 Favored 'General case' 0 CA--C 1.517 -0.307 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.327 178.384 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 53' ' ' PHE . . . . . 0.415 ' CE1' HG23 ' B' ' 57' ' ' THR . 71.1 t80 -51.19 -60.79 2.73 Favored 'General case' 0 N--CA 1.451 -0.397 0 CA-C-N 115.318 -0.856 . . . . 0.0 109.889 173.161 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 54' ' ' LEU . . . . . . . . . . . . . 96.3 mt -63.07 -23.35 67.41 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 112.088 0.403 . . . . 0.0 112.088 -178.505 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 55' ' ' ARG . . . . . 0.661 ' HG2' ' O ' ' B' ' 51' ' ' LEU . 15.8 mmm180 -72.07 -43.99 64.0 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.845 0.355 . . . . 0.0 111.093 178.613 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 56' ' ' PHE . . . . . 0.524 ' CZ ' ' HA ' ' A' ' 84' ' ' PHE . 58.1 m-85 -96.54 -14.81 22.01 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 112.203 0.446 . . . . 0.0 112.203 -175.198 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 57' ' ' THR . . . . . 0.551 ' HA ' ' HG2' ' A' ' 46' ' ' MET . 73.2 p -101.0 -23.65 14.48 Favored 'General case' 0 C--N 1.326 -0.451 0 C-N-CA 120.3 -0.56 . . . . 0.0 111.662 178.6 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -131.69 -164.68 1.48 Allowed 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.729 -176.041 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 59' ' ' ILE . . . . . . . . . . . . . 49.8 mm -93.31 -67.62 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 CA-C-O 121.656 0.741 . . . . 0.0 110.661 179.42 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 60' ' ' LYS . . . . . 0.403 ' HA ' ' HD3' ' B' ' 61' ' ' PRO . 88.5 tttt -131.48 127.18 21.52 Favored Pre-proline 0 C--N 1.3 -1.559 0 CA-C-N 114.54 -1.209 . . . . 0.0 110.999 -178.316 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 61' ' ' PRO . . . . . 0.403 ' HD3' ' HA ' ' B' ' 60' ' ' LYS . 29.3 Cg_exo -63.28 151.36 85.23 Favored 'Trans proline' 0 C--O 1.235 0.359 0 C-N-CA 123.064 2.509 . . . . 0.0 112.394 176.315 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 14.1 m -65.59 147.68 53.01 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.753 -0.658 . . . . 0.0 111.062 179.758 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 89.3 mt -63.91 -19.39 65.06 Favored 'General case' 0 C--N 1.333 -0.118 0 CA-C-N 115.31 -0.859 . . . . 0.0 111.96 -173.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -63.51 -45.8 93.92 Favored Glycine 0 N--CA 1.45 -0.415 0 C-N-CA 120.709 -0.758 . . . . 0.0 111.534 174.739 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -67.69 -38.71 84.06 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 109.611 -0.514 . . . . 0.0 109.611 177.156 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 66' ' ' ILE . . . . . . . . . . . . . 47.2 mm -61.71 -35.29 66.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.882 178.205 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 67' ' ' ASN . . . . . . . . . . . . . 27.4 t-20 -69.11 -42.26 76.32 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.707 179.084 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 68' ' ' ARG . . . . . . . . . . . . . 27.8 ttm180 -79.04 -18.46 53.48 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.387 0.613 . . . . 0.0 110.086 -178.543 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 69' ' ' TRP . . . . . 0.547 ' NE1' HD11 ' A' ' 95' ' ' ILE . 16.9 t90 -58.63 -47.77 83.27 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.001 -1.0 . . . . 0.0 111.019 179.259 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . -77.77 -0.2 73.67 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.695 -179.76 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 71' ' ' SER . . . . . . . . . . . . . 21.0 m -91.53 -4.28 55.6 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.115 0.483 . . . . 0.0 110.622 -179.901 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 72' ' ' VAL . . . . . . . . . . . . . 44.9 t -77.42 140.21 17.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.055 177.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 73' ' ' GLY . . . . . . . . . . . . . . . -64.42 135.9 39.34 Favored Glycine 0 N--CA 1.44 -1.097 0 N-CA-C 110.411 -1.076 . . . . 0.0 110.411 174.563 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 74' ' ' LYS . . . . . 0.474 ' O ' ' HG3' ' B' ' 78' ' ' MET . 30.7 mmtm -68.37 -33.2 73.84 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-O 121.136 0.493 . . . . 0.0 109.712 -172.896 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 75' ' ' LYS . . . . . . . . . . . . . 20.8 tptm -69.17 -47.7 64.24 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.448 -0.796 . . . . 0.0 110.056 174.715 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 76' ' ' GLU . . . . . 0.435 ' O ' HG13 ' B' ' 80' ' ' ILE . 5.2 tp10 -59.43 -43.79 93.02 Favored 'General case' 0 N--CA 1.451 -0.38 0 CA-C-N 115.448 -0.796 . . . . 0.0 109.987 -179.442 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 77' ' ' ALA . . . . . . . . . . . . . . . -58.41 -42.63 87.61 Favored 'General case' 0 N--CA 1.454 -0.269 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.88 179.098 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 78' ' ' MET . . . . . 0.474 ' HG3' ' O ' ' B' ' 74' ' ' LYS . 61.2 mtt -57.96 -43.75 86.64 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.722 179.358 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 79' ' ' GLU . . . . . 0.454 ' O ' ' HG3' ' B' ' 83' ' ' LYS . 37.0 mt-10 -72.86 -40.07 65.98 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.79 -0.641 . . . . 0.0 111.123 -178.637 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 80' ' ' ILE . . . . . 0.435 HG13 ' O ' ' B' ' 76' ' ' GLU . 96.6 mt -62.2 -47.89 90.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.674 0.273 . . . . 0.0 110.62 178.293 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 81' ' ' ILE . . . . . . . . . . . . . 39.1 mm -61.14 -37.11 76.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.735 179.025 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 82' ' ' LYS . . . . . 0.455 ' HZ1' ' HB2' ' B' ' 82' ' ' LYS . 0.0 OUTLIER -62.1 -46.93 86.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.35 176.726 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 83' ' ' LYS . . . . . 0.454 ' HG3' ' O ' ' B' ' 79' ' ' GLU . 90.8 mttt -67.1 -36.09 81.2 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.53 179.427 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 84' ' ' PHE . . . . . 0.512 ' HA ' ' CZ ' ' A' ' 56' ' ' PHE . 2.2 t80 -62.28 -49.83 74.09 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.046 179.725 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 85' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -62.98 -31.44 72.56 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.74 178.479 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 86' ' ' LYS . . . . . . . . . . . . . 16.8 tppt? -65.63 -46.75 78.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.449 179.47 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 87' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -68.73 -32.29 71.96 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.727 -179.678 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 88' ' ' LEU . . . . . 0.45 ' HG ' ' O ' ' B' ' 84' ' ' PHE . 92.0 mt -66.12 -38.68 88.76 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.46 175.677 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 89' ' ' ALA . . . . . 0.451 ' O ' ' HG3' ' B' ' 93' ' ' ARG . . . -62.13 -47.71 83.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.359 177.649 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 90' ' ' ALA . . . . . 0.612 ' O ' HG13 ' B' ' 94' ' ' ILE . . . -60.73 -48.1 83.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.176 176.749 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 91' ' ' MET . . . . . 0.435 ' O ' HG12 ' B' ' 95' ' ' ILE . 40.0 ttm -52.19 -49.22 64.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.404 -0.816 . . . . 0.0 110.891 178.678 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 92' ' ' LEU . . . . . . . . . . . . . 48.9 tp -56.63 -46.31 81.05 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.588 -0.733 . . . . 0.0 111.485 -179.236 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 93' ' ' ARG . . . . . 0.451 ' HG3' ' O ' ' B' ' 89' ' ' ALA . 26.6 mtm180 -64.8 -34.12 77.6 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.83 -177.836 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 94' ' ' ILE . . . . . 0.612 HG13 ' O ' ' B' ' 90' ' ' ALA . 24.5 mt -72.78 -31.38 36.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.662 -0.245 . . . . 0.0 110.544 179.453 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 95' ' ' ILE . . . . . 0.547 HD11 ' NE1' ' A' ' 69' ' ' TRP . 24.4 mm -55.88 -49.88 72.19 Favored 'Isoleucine or valine' 0 C--O 1.232 0.176 0 N-CA-C 109.093 -0.706 . . . . 0.0 109.093 171.805 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 96' ' ' ASN . . . . . 0.587 ' O ' ' HG2' ' B' ' 99' ' ' LYS . 44.4 m-80 -67.69 -21.62 65.32 Favored 'General case' 0 CA--C 1.517 -0.302 0 CA-C-N 115.142 -0.935 . . . . 0.0 110.817 178.785 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 97' ' ' ALA . . . . . . . . . . . . . . . -82.59 10.64 6.98 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 120.892 0.377 . . . . 0.0 110.789 178.143 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 98' ' ' ARG . . . . . 0.484 ' NE ' ' HA ' ' B' ' 98' ' ' ARG . 4.1 mmp_? -125.38 30.03 5.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.6 178.186 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 99' ' ' LYS . . . . . 0.587 ' HG2' ' O ' ' B' ' 96' ' ' ASN . 22.1 pttp -102.65 -34.32 9.11 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.503 -0.317 . . . . 0.0 111.351 -179.453 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 100' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 70.24 -49.05 0.64 Allowed 'General case' 0 N--CA 1.469 0.506 0 C-N-CA 123.75 0.82 . . . . 0.0 111.948 -177.141 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 101' ' ' LYS . . . . . . . . . . . . . 59.2 pttt -118.39 155.28 30.98 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 120.977 0.417 . . . . 0.0 111.134 -178.039 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 102' ' ' LYS . . . . . 0.457 ' HG3' ' H ' ' B' ' 103' ' ' ARG . 50.6 tptt -165.11 174.84 9.93 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 108.218 -1.03 . . . . 0.0 108.218 179.755 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 103' ' ' ARG . . . . . 0.457 ' H ' ' HG3' ' B' ' 102' ' ' LYS . 80.7 mtp180 -60.59 -48.81 80.11 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 109.553 -0.536 . . . . 0.0 109.553 173.88 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 104' ' ' ARG . . . . . . . . . . . . . 2.8 tmt_? . . . . . 0 C--O 1.247 0.952 0 CA-C-O 118.424 -0.798 . . . . 0.0 109.058 175.102 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.113 0 CA-C-O 120.963 0.411 . . . . 0.0 110.325 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -58.9 -41.22 96.1 Favored Glycine 0 CA--C 1.506 -0.492 0 CA-C-N 115.976 -0.556 . . . . 0.0 113.353 -175.431 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 6.5 mp -68.37 -6.63 25.48 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.914 0.357 . . . . 0.0 111.617 -175.899 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 88.5 mt -114.18 -40.56 3.66 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.658 -0.247 . . . . 0.0 111.104 179.341 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -97.96 -54.85 2.96 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.651 0.263 . . . . 0.0 111.617 -177.232 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . 0.691 ' O ' ' HD2' ' A' ' 43' ' ' PRO . . . -73.37 -34.03 58.06 Favored Glycine 0 C--O 1.22 -0.768 0 C-N-CA 120.726 -0.75 . . . . 0.0 111.984 -174.941 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 59.6 t-80 -66.01 87.67 0.1 Allowed 'General case' 0 C--N 1.319 -0.752 0 C-N-CA 123.009 0.524 . . . . 0.0 110.849 177.652 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 166.7 -55.07 0.24 Allowed Glycine 0 CA--C 1.522 0.483 0 C-N-CA 120.373 -0.918 . . . . 0.0 113.824 178.803 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.691 ' HD2' ' O ' ' A' ' 40' ' ' GLY . 71.5 Cg_exo -43.68 157.57 0.13 Allowed 'Trans proline' 0 C--N 1.351 0.707 0 C-N-CA 123.521 2.814 . . . . 0.0 113.804 174.237 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 18.9 pt -53.0 -36.48 24.23 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.457 0 N-CA-C 114.053 1.131 . . . . 0.0 114.053 -168.29 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . 0.428 ' HG2' HG12 ' A' ' 80' ' ' ILE . 95.6 mtt180 -60.03 -44.03 94.92 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-O 121.501 0.667 . . . . 0.0 110.163 176.59 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' MET . . . . . 0.625 ' O ' HG13 ' A' ' 50' ' ' ILE . 1.7 mpt? -69.85 -29.56 66.84 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.147 -0.933 . . . . 0.0 110.527 179.65 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 96.2 t -58.28 -46.75 88.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-O 120.659 0.266 . . . . 0.0 110.441 177.167 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 11.1 mp -66.26 -35.67 81.01 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.942 177.476 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -66.86 -46.75 74.05 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.9 0.381 . . . . 0.0 111.23 177.61 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.625 HG13 ' O ' ' A' ' 46' ' ' MET . 66.2 mt -64.95 -33.8 66.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.059 -0.519 . . . . 0.0 109.686 177.755 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.495 HD23 ' NE1' ' A' ' 69' ' ' TRP . 5.4 tp -59.8 -55.95 27.84 Favored 'General case' 0 N--CA 1.451 -0.422 0 CA-C-N 115.659 -0.701 . . . . 0.0 110.046 175.725 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -55.29 -39.03 69.39 Favored 'General case' 0 C--O 1.233 0.205 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.771 179.458 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 0.412 ' HB3' ' O ' ' A' ' 50' ' ' ILE . 77.2 t80 -54.84 -57.58 11.0 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.672 -0.694 . . . . 0.0 110.003 173.867 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 94.7 mt -69.32 -11.51 60.87 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.848 -178.191 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.487 ' HG2' ' O ' ' A' ' 51' ' ' LEU . 23.1 mmm180 -81.8 -48.48 11.55 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.092 0.472 . . . . 0.0 110.786 176.196 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 77.2 m-85 -96.78 -15.52 21.3 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.052 -0.522 . . . . 0.0 112.292 -173.774 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 12.0 p -110.24 -3.34 16.33 Favored 'General case' 0 C--N 1.325 -0.477 0 C-N-CA 120.274 -0.57 . . . . 0.0 111.225 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -152.18 179.51 8.45 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.722 -175.562 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 50.0 mm -114.72 113.76 44.62 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-N 115.887 -0.597 . . . . 0.0 109.809 176.875 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 20.8 ttpt 68.3 110.2 0.03 OUTLIER Pre-proline 0 N--CA 1.464 0.266 0 O-C-N 123.971 0.795 . . . . 0.0 111.224 -179.335 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 36.9 Cg_exo -61.04 147.66 95.06 Favored 'Trans proline' 0 C--O 1.232 0.215 0 C-N-CA 122.544 2.163 . . . . 0.0 111.61 174.6 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 9.5 m -61.81 141.9 57.64 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.472 -179.091 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 89.7 mt -61.62 -23.41 66.02 Favored 'General case' 0 N--CA 1.462 0.157 0 CA-C-N 115.612 -0.722 . . . . 0.0 112.356 -171.753 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -62.43 -47.05 92.29 Favored Glycine 0 C--O 1.24 0.472 0 C-N-CA 120.478 -0.868 . . . . 0.0 111.338 174.68 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -64.71 -42.42 95.28 Favored 'General case' 0 C--O 1.22 -0.482 0 N-CA-C 109.891 -0.411 . . . . 0.0 109.891 176.678 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 39.6 mm -59.18 -42.09 85.75 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.257 0 CA-C-O 121.135 0.493 . . . . 0.0 110.857 178.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 27.4 t-20 -59.41 -44.92 92.76 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.98 179.006 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 29.8 ttm180 -78.05 -28.38 48.95 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.348 0.594 . . . . 0.0 109.546 -177.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' TRP . . . . . 0.573 ' NE1' HD11 ' B' ' 95' ' ' ILE . 31.9 t90 -60.51 -46.43 90.19 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 114.842 -1.072 . . . . 0.0 110.61 177.783 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -71.73 -15.01 75.6 Favored Glycine 0 N--CA 1.449 -0.443 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.327 177.534 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 25.2 m -87.82 -14.49 39.4 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.781 0.324 . . . . 0.0 110.955 -178.654 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 55.0 t -63.58 136.41 26.28 Favored 'Isoleucine or valine' 0 C--O 1.239 0.539 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.602 178.131 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -62.91 140.4 45.65 Favored Glycine 0 N--CA 1.443 -0.847 0 N-CA-C 111.127 -0.789 . . . . 0.0 111.127 177.121 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.41 ' CD ' HG21 ' B' ' 95' ' ' ILE . 41.4 mmtt -72.3 -32.18 66.35 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-O 120.998 0.427 . . . . 0.0 110.029 -171.648 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 22.8 tptm -65.91 -47.9 73.21 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.648 -0.705 . . . . 0.0 109.446 173.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . 0.608 ' O ' HG13 ' A' ' 80' ' ' ILE . 5.1 tp10 -58.91 -48.26 82.07 Favored 'General case' 0 N--CA 1.448 -0.554 0 CA-C-N 115.077 -0.965 . . . . 0.0 109.89 179.651 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -56.55 -41.77 77.41 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.46 -178.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' MET . . . . . 0.409 ' HG3' ' O ' ' A' ' 74' ' ' LYS . 63.9 mtt -59.42 -43.12 93.1 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-O 120.832 0.348 . . . . 0.0 110.55 178.662 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . 0.514 ' O ' ' HG2' ' A' ' 83' ' ' LYS . 38.9 mt-10 -70.44 -40.78 73.56 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.804 179.2 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . 0.608 HG13 ' O ' ' A' ' 76' ' ' GLU . 84.8 mt -60.56 -49.82 82.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.675 179.231 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 42.6 mm -59.96 -37.73 73.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.58 178.848 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 57.9 tttm -62.54 -46.19 89.5 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.362 178.529 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . 0.514 ' HG2' ' O ' ' A' ' 79' ' ' GLU . 11.6 mmpt? -66.68 -38.24 86.39 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.385 178.713 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . 0.415 ' O ' ' HG ' ' A' ' 88' ' ' LEU . 2.2 t80 -62.2 -49.71 74.68 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.246 -179.011 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -61.57 -34.39 75.51 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.852 178.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 86.9 tttt -65.2 -44.44 88.36 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.662 178.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . 0.614 ' O ' ' HG3' ' A' ' 91' ' ' MET . 16.8 t70 -68.88 -35.61 77.09 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 110.05 -0.352 . . . . 0.0 110.05 -178.6 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.415 ' HG ' ' O ' ' A' ' 84' ' ' PHE . 93.0 mt -59.74 -39.54 85.11 Favored 'General case' 0 N--CA 1.463 0.175 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.457 175.396 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -62.82 -40.64 98.02 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.459 177.735 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . 0.491 ' O ' HG13 ' A' ' 94' ' ' ILE . . . -64.03 -44.86 91.24 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.284 177.082 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' MET . . . . . 0.614 ' HG3' ' O ' ' A' ' 87' ' ' ASP . 54.9 mtt -55.28 -50.17 70.22 Favored 'General case' 0 CA--C 1.52 -0.209 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.162 177.421 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 67.7 tp -53.08 -47.86 68.21 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.333 -0.848 . . . . 0.0 111.77 -178.369 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 77.1 ttt180 -63.29 -38.33 90.74 Favored 'General case' 0 N--CA 1.445 -0.714 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.716 -178.453 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . 0.491 HG13 ' O ' ' A' ' 90' ' ' ALA . 55.4 mt -71.14 -32.79 48.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.611 179.402 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . 0.572 HD11 ' NE1' ' B' ' 69' ' ' TRP . 23.3 mm -53.71 -49.4 57.46 Favored 'Isoleucine or valine' 0 C--O 1.234 0.265 0 CA-C-O 121.315 0.579 . . . . 0.0 109.466 173.181 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 63.8 t30 -66.63 -35.98 81.49 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.096 -0.956 . . . . 0.0 110.72 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -68.33 -26.34 65.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.185 0.517 . . . . 0.0 110.45 177.832 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 36.0 mmt180 -91.88 27.26 2.15 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.99 177.443 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . 0.429 ' HD2' ' O ' ' A' ' 101' ' ' LYS . 39.1 ttmt -79.33 -37.37 37.73 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 108.954 -0.758 . . . . 0.0 108.954 173.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 24.6 tt0 65.66 18.36 11.18 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-N 114.623 -1.172 . . . . 0.0 110.738 175.224 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . 0.429 ' O ' ' HD2' ' A' ' 99' ' ' LYS . 20.6 ptmt -162.62 169.94 19.34 Favored 'General case' 0 C--N 1.322 -0.587 0 N-CA-C 108.267 -1.012 . . . . 0.0 108.267 -179.729 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . 0.542 ' HB2' ' HZ1' ' A' ' 102' ' ' LYS . 4.7 ttmp? -158.13 141.19 14.96 Favored 'General case' 0 C--N 1.32 -0.697 0 C-N-CA 120.489 -0.484 . . . . 0.0 111.139 -176.36 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . 0.411 ' NE ' ' HA ' ' A' ' 103' ' ' ARG . 5.2 mmp_? -111.39 140.38 46.02 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.99 -0.55 . . . . 0.0 109.757 175.747 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . 0.421 ' N ' ' HD2' ' A' ' 104' ' ' ARG . 4.4 mpt_? . . . . . 0 C--O 1.249 1.061 0 O-C-N 123.845 0.715 . . . . 0.0 111.005 -178.797 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.084 0 CA-C-O 120.925 0.393 . . . . 0.0 110.435 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 36' ' ' GLY . . . . . . . . . . . . . . . -58.22 -41.43 94.84 Favored Glycine 0 CA--C 1.505 -0.54 0 CA-C-N 116.034 -0.53 . . . . 0.0 113.434 -175.493 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 6.5 mp -68.14 -6.58 23.87 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.881 0.34 . . . . 0.0 111.822 -176.166 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 88.4 mt -114.19 -40.61 3.65 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.606 0.241 . . . . 0.0 111.182 179.189 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -97.91 -55.06 2.9 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.634 -0.257 . . . . 0.0 111.521 -177.246 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 40' ' ' GLY . . . . . 0.694 ' O ' ' HD2' ' B' ' 43' ' ' PRO . . . -73.19 -33.97 58.63 Favored Glycine 0 C--O 1.222 -0.628 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.016 -174.907 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 41' ' ' HIS . . . . . . . . . . . . . 59.6 t-80 -66.14 87.87 0.11 Allowed 'General case' 0 C--N 1.318 -0.785 0 C-N-CA 123.053 0.541 . . . . 0.0 110.777 177.67 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 42' ' ' GLY . . . . . . . . . . . . . . . 166.43 -55.0 0.24 Allowed Glycine 0 CA--C 1.522 0.52 0 C-N-CA 120.375 -0.916 . . . . 0.0 113.819 178.725 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 43' ' ' PRO . . . . . 0.694 ' HD2' ' O ' ' B' ' 40' ' ' GLY . 72.3 Cg_exo -43.92 157.4 0.15 Allowed 'Trans proline' 0 C--N 1.351 0.709 0 C-N-CA 123.473 2.782 . . . . 0.0 113.864 174.269 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 18.5 pt -52.66 -36.63 23.04 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.45 0 N-CA-C 114.032 1.123 . . . . 0.0 114.032 -168.242 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 45' ' ' ARG . . . . . 0.438 ' HG2' HG12 ' B' ' 80' ' ' ILE . 95.6 mtt180 -60.05 -43.85 95.1 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-O 121.48 0.657 . . . . 0.0 110.24 176.682 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 46' ' ' MET . . . . . 0.628 ' O ' HG13 ' B' ' 50' ' ' ILE . 1.7 mpt? -69.88 -29.62 66.88 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.145 -0.934 . . . . 0.0 110.574 179.564 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 47' ' ' VAL . . . . . . . . . . . . . 98.1 t -58.23 -46.85 88.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-O 120.636 0.255 . . . . 0.0 110.348 177.226 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 11.1 mp -66.21 -35.71 81.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.915 177.555 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -66.85 -46.68 74.27 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.841 0.353 . . . . 0.0 111.165 177.645 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 50' ' ' ILE . . . . . 0.628 HG13 ' O ' ' B' ' 46' ' ' MET . 66.1 mt -65.03 -33.96 67.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.074 -0.512 . . . . 0.0 109.65 177.811 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 51' ' ' LEU . . . . . 0.5 HD23 ' NE1' ' B' ' 69' ' ' TRP . 5.4 tp -59.64 -55.98 27.59 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.054 175.692 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -55.23 -39.06 69.26 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.859 179.379 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 53' ' ' PHE . . . . . 0.408 ' HB3' ' O ' ' B' ' 50' ' ' ILE . 77.2 t80 -54.77 -57.66 10.65 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.097 173.75 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 54' ' ' LEU . . . . . . . . . . . . . 94.8 mt -69.24 -11.5 60.85 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.922 -178.244 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 55' ' ' ARG . . . . . 0.484 ' HG2' ' O ' ' B' ' 51' ' ' LEU . 23.2 mmm180 -81.83 -48.29 11.76 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.992 0.425 . . . . 0.0 110.909 176.125 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 56' ' ' PHE . . . . . 0.406 ' O ' ' HG3' ' A' ' 46' ' ' MET . 77.2 m-85 -96.98 -15.34 21.15 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.055 -0.521 . . . . 0.0 112.314 -173.945 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 57' ' ' THR . . . . . . . . . . . . . 12.1 p -110.48 -3.16 16.18 Favored 'General case' 0 C--N 1.326 -0.429 0 C-N-CA 120.325 -0.55 . . . . 0.0 111.14 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -152.43 179.34 8.65 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.89 -175.686 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 59' ' ' ILE . . . . . . . . . . . . . 50.1 mm -114.48 113.8 44.79 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 CA-C-N 115.87 -0.605 . . . . 0.0 109.765 176.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 20.9 ttpt 68.05 110.06 0.03 OUTLIER Pre-proline 0 N--CA 1.464 0.265 0 O-C-N 123.864 0.727 . . . . 0.0 111.286 -179.441 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 61' ' ' PRO . . . . . . . . . . . . . 36.2 Cg_exo -60.98 147.48 95.58 Favored 'Trans proline' 0 C--O 1.234 0.294 0 C-N-CA 122.587 2.191 . . . . 0.0 111.559 174.708 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 10.5 m -61.64 141.88 57.52 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.564 -179.076 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 89.3 mt -61.36 -23.39 65.73 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-N 115.616 -0.72 . . . . 0.0 112.386 -171.792 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -62.68 -47.22 90.81 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.5 -0.857 . . . . 0.0 111.238 174.895 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -64.47 -42.24 96.03 Favored 'General case' 0 C--O 1.22 -0.482 0 N-CA-C 109.844 -0.428 . . . . 0.0 109.844 176.744 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 66' ' ' ILE . . . . . . . . . . . . . 39.4 mm -59.48 -41.75 85.65 Favored 'Isoleucine or valine' 0 C--O 1.234 0.238 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.87 179.034 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 67' ' ' ASN . . . . . . . . . . . . . 27.5 t-20 -59.71 -44.9 93.51 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.923 178.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 68' ' ' ARG . . . . . . . . . . . . . 29.7 ttm180 -77.91 -28.52 49.79 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.383 0.611 . . . . 0.0 109.622 -178.067 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 69' ' ' TRP . . . . . 0.572 ' NE1' HD11 ' A' ' 95' ' ' ILE . 31.9 t90 -60.41 -46.5 89.78 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 114.825 -1.08 . . . . 0.0 110.629 177.888 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . -71.74 -15.42 75.78 Favored Glycine 0 N--CA 1.449 -0.447 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.254 177.786 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 71' ' ' SER . . . . . . . . . . . . . 29.5 m -87.11 -15.11 39.43 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.744 0.307 . . . . 0.0 110.98 -178.646 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 72' ' ' VAL . . . . . . . . . . . . . 54.4 t -63.04 136.45 26.05 Favored 'Isoleucine or valine' 0 C--O 1.239 0.52 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.661 178.314 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 73' ' ' GLY . . . . . . . . . . . . . . . -62.72 139.96 45.57 Favored Glycine 0 N--CA 1.444 -0.788 0 N-CA-C 111.22 -0.752 . . . . 0.0 111.22 176.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 74' ' ' LYS . . . . . 0.42 ' CD ' HG21 ' A' ' 95' ' ' ILE . 41.5 mmtt -72.06 -31.8 66.47 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-O 120.956 0.408 . . . . 0.0 110.099 -171.763 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 75' ' ' LYS . . . . . . . . . . . . . 22.8 tptm -66.28 -47.68 72.87 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.694 -0.685 . . . . 0.0 109.471 174.117 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 76' ' ' GLU . . . . . 0.61 ' O ' HG13 ' B' ' 80' ' ' ILE . 5.1 tp10 -59.18 -48.2 82.51 Favored 'General case' 0 N--CA 1.449 -0.508 0 CA-C-N 114.855 -1.066 . . . . 0.0 109.76 179.739 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 77' ' ' ALA . . . . . . . . . . . . . . . -56.56 -41.76 77.44 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.844 -0.616 . . . . 0.0 111.456 -179.024 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 78' ' ' MET . . . . . 0.406 ' HG3' ' O ' ' B' ' 74' ' ' LYS . 63.4 mtt -59.47 -43.03 93.32 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.94 0.4 . . . . 0.0 110.595 178.729 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 79' ' ' GLU . . . . . 0.506 ' O ' ' HG2' ' B' ' 83' ' ' LYS . 38.3 mt-10 -70.51 -40.84 73.28 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.831 179.18 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 80' ' ' ILE . . . . . 0.61 HG13 ' O ' ' B' ' 76' ' ' GLU . 84.3 mt -60.36 -49.72 83.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.8 179.137 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 81' ' ' ILE . . . . . . . . . . . . . 42.5 mm -60.25 -37.56 74.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.59 178.806 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 82' ' ' LYS . . . . . . . . . . . . . 57.9 tttm -62.64 -46.13 89.64 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.432 178.496 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 83' ' ' LYS . . . . . 0.506 ' HG2' ' O ' ' B' ' 79' ' ' GLU . 11.6 mmpt? -66.65 -38.39 86.78 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.418 178.581 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 84' ' ' PHE . . . . . 0.409 ' O ' ' HG ' ' B' ' 88' ' ' LEU . 2.2 t80 -62.22 -49.71 74.67 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.252 -179.014 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 85' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -61.44 -34.27 75.13 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.885 178.868 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 86' ' ' LYS . . . . . . . . . . . . . 86.9 tttt -65.34 -44.29 88.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.718 178.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 87' ' ' ASP . . . . . 0.641 ' O ' ' HG3' ' B' ' 91' ' ' MET . 17.0 t70 -69.19 -35.35 76.14 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 109.973 -0.38 . . . . 0.0 109.973 -178.406 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 88' ' ' LEU . . . . . 0.409 ' HG ' ' O ' ' B' ' 84' ' ' PHE . 93.1 mt -59.94 -39.51 85.78 Favored 'General case' 0 N--CA 1.462 0.148 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.381 175.412 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -62.98 -40.65 98.36 Favored 'General case' 0 C--O 1.235 0.33 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.396 177.801 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 90' ' ' ALA . . . . . 0.502 ' O ' HG13 ' B' ' 94' ' ' ILE . . . -63.74 -45.0 91.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.481 176.773 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 91' ' ' MET . . . . . 0.641 ' HG3' ' O ' ' B' ' 87' ' ' ASP . 54.9 mtt -55.33 -50.2 70.24 Favored 'General case' 0 CA--C 1.52 -0.185 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.192 177.373 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 92' ' ' LEU . . . . . . . . . . . . . 67.0 tp -53.17 -48.16 68.24 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-N 115.292 -0.867 . . . . 0.0 111.606 -178.181 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 93' ' ' ARG . . . . . . . . . . . . . 77.1 ttt180 -62.94 -38.18 90.01 Favored 'General case' 0 N--CA 1.444 -0.751 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.75 -178.433 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 94' ' ' ILE . . . . . 0.502 HG13 ' O ' ' B' ' 90' ' ' ALA . 56.2 mt -71.41 -32.69 47.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.56 179.567 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 95' ' ' ILE . . . . . 0.573 HD11 ' NE1' ' A' ' 69' ' ' TRP . 23.2 mm -53.66 -49.55 55.91 Favored 'Isoleucine or valine' 0 C--O 1.235 0.325 0 N-CA-C 109.442 -0.577 . . . . 0.0 109.442 173.08 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 96' ' ' ASN . . . . . . . . . . . . . 62.7 t30 -66.59 -35.98 81.51 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.081 -0.963 . . . . 0.0 110.655 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 97' ' ' ALA . . . . . . . . . . . . . . . -68.14 -26.88 66.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.258 0.552 . . . . 0.0 110.44 177.889 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 98' ' ' ARG . . . . . . . . . . . . . 36.0 mmt180 -91.29 26.95 2.05 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.601 -0.727 . . . . 0.0 111.093 177.632 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 99' ' ' LYS . . . . . 0.415 ' O ' ' HG2' ' B' ' 101' ' ' LYS . 39.1 ttmt -79.12 -37.22 39.13 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 109.106 -0.702 . . . . 0.0 109.106 174.039 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 100' ' ' GLU . . . . . . . . . . . . . 24.4 tt0 65.59 18.12 11.13 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-N 114.512 -1.222 . . . . 0.0 110.818 175.105 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 101' ' ' LYS . . . . . 0.415 ' HG2' ' O ' ' B' ' 99' ' ' LYS . 20.5 ptmt -162.27 170.56 18.75 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 108.308 -0.997 . . . . 0.0 108.308 -179.707 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 102' ' ' LYS . . . . . 0.551 ' HB2' ' HZ1' ' B' ' 102' ' ' LYS . 4.7 ttmp? -158.84 140.92 13.82 Favored 'General case' 0 C--N 1.322 -0.628 0 C-N-CA 120.563 -0.455 . . . . 0.0 111.105 -176.419 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 103' ' ' ARG . . . . . 0.41 ' HA ' ' NE ' ' B' ' 103' ' ' ARG . 5.2 mmp_? -111.13 140.35 45.75 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.986 -0.552 . . . . 0.0 109.807 175.74 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 104' ' ' ARG . . . . . 0.426 ' HD2' ' N ' ' B' ' 104' ' ' ARG . 4.4 mpt_? . . . . . 0 C--O 1.248 0.98 0 O-C-N 123.815 0.697 . . . . 0.0 111.129 -178.83 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 0.972 0 CA-C-O 120.973 0.416 . . . . 0.0 110.47 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -59.48 -28.6 65.15 Favored Glycine 0 N--CA 1.451 -0.322 0 CA-C-N 115.801 -0.636 . . . . 0.0 112.971 -177.241 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 57.2 tp -66.34 -29.08 69.2 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 120.791 0.329 . . . . 0.0 111.002 -179.801 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -93.52 -24.1 18.1 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.813 0.34 . . . . 0.0 111.034 -177.225 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -93.44 -13.1 28.35 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.517 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 84.14 40.03 8.87 Favored Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.871 -0.681 . . . . 0.0 111.874 -179.798 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 9.8 t60 -130.48 110.37 11.41 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 109.942 -0.392 . . . . 0.0 109.942 -177.086 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.577 ' HA3' ' SD ' ' A' ' 46' ' ' MET . . . -156.29 -177.59 29.61 Favored Glycine 0 N--CA 1.446 -0.653 0 C-N-CA 120.497 -0.859 . . . . 0.0 112.313 -179.55 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.576 ' O ' HG21 ' A' ' 47' ' ' VAL . 31.4 Cg_exo -61.94 168.62 8.6 Favored 'Trans proline' 0 CA--C 1.528 0.224 0 C-N-CA 123.4 2.733 . . . . 0.0 112.709 178.274 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 13.4 pt -57.35 -35.5 49.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 N-CA-C 112.126 0.417 . . . . 0.0 112.126 -175.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 44.4 mtp-105 -59.96 -45.63 92.04 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 121.307 0.575 . . . . 0.0 110.288 175.201 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' MET . . . . . 0.577 ' SD ' ' HA3' ' A' ' 42' ' ' GLY . 56.4 ttm -68.04 -31.09 70.51 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.42 -0.809 . . . . 0.0 110.362 -179.802 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.576 HG21 ' O ' ' A' ' 43' ' ' PRO . 59.1 t -58.59 -48.99 84.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.55 177.068 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 88.4 mt -69.52 -29.83 67.53 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.807 179.571 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -69.69 -48.93 57.92 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.21 178.879 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 30.3 pt -70.28 -24.94 26.38 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-O 121.106 0.479 . . . . 0.0 110.343 179.49 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 10.7 tp -66.53 -49.01 67.92 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.741 -0.663 . . . . 0.0 109.782 173.913 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -57.88 -37.75 74.52 Favored 'General case' 0 C--O 1.233 0.192 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.423 178.349 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 82.3 t80 -55.79 -63.49 1.16 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.77 -0.65 . . . . 0.0 109.881 174.313 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 95.8 mt -66.09 -5.91 11.42 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.062 0.458 . . . . 0.0 112.018 -178.198 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 28.6 tpt180 -89.95 -51.36 5.52 Favored 'General case' 0 N--CA 1.425 -1.714 0 CA-C-O 120.919 0.39 . . . . 0.0 110.441 177.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 92.4 m-85 -89.0 -24.18 22.44 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.936 -175.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 30.7 p -90.85 2.91 55.74 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 109.851 -0.426 . . . . 0.0 109.851 177.063 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . 0.408 ' O ' ' HB ' ' A' ' 59' ' ' ILE . . . 72.56 -172.34 0.15 Allowed 'General case' 0 C--O 1.231 0.089 0 CA-C-N 114.773 -1.103 . . . . 0.0 111.305 -179.225 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.408 ' HB ' ' O ' ' A' ' 58' ' ' ALA . 47.8 mm 71.84 105.21 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.464 0.238 0 O-C-N 123.728 0.642 . . . . 0.0 110.141 -172.458 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 58.1 tttp -62.2 126.73 88.35 Favored Pre-proline 0 C--N 1.326 -0.429 0 CA-C-N 115.496 -0.774 . . . . 0.0 111.259 -175.082 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 45.0 Cg_exo -56.43 138.1 82.84 Favored 'Trans proline' 0 C--N 1.345 0.367 0 C-N-CA 122.919 2.412 . . . . 0.0 111.826 176.58 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 16.4 m -69.27 165.13 21.24 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.101 -179.144 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -61.07 -28.82 69.35 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.712 -0.222 . . . . 0.0 111.302 -176.101 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -60.14 -43.18 98.6 Favored Glycine 0 N--CA 1.453 -0.212 0 C-N-CA 120.576 -0.821 . . . . 0.0 111.448 176.034 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -64.15 -47.65 79.07 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 109.682 -0.488 . . . . 0.0 109.682 177.511 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 50.4 mm -62.63 -36.58 75.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 115.475 -0.784 . . . . 0.0 111.274 -177.58 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 10.1 t30 -64.68 -43.61 93.01 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.88 178.621 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 51.0 ttp180 -76.59 -30.4 56.97 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.527 0.68 . . . . 0.0 109.683 -178.49 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' TRP . . . . . 0.459 ' CZ3' ' HD2' ' B' ' 98' ' ' ARG . 39.0 t90 -57.96 -49.56 76.38 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 114.822 -1.081 . . . . 0.0 110.638 175.104 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -74.77 1.07 55.17 Favored Glycine 0 CA--C 1.521 0.454 0 C-N-CA 120.889 -0.672 . . . . 0.0 112.853 177.812 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 58.2 m -94.35 -13.52 26.3 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.775 0.322 . . . . 0.0 110.73 178.838 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 47.8 t -68.32 136.32 26.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 0.0 109.803 176.819 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -62.71 139.74 45.41 Favored Glycine 0 N--CA 1.443 -0.856 0 C-N-CA 120.782 -0.723 . . . . 0.0 111.414 178.109 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.517 ' O ' ' HG3' ' A' ' 78' ' ' MET . 25.5 mmtp -65.13 -39.93 93.73 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 109.388 -0.597 . . . . 0.0 109.388 -175.058 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 22.6 tptm -62.71 -47.33 84.07 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.234 -0.894 . . . . 0.0 110.248 176.144 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . 0.475 ' O ' HG13 ' A' ' 80' ' ' ILE . 9.5 tp10 -64.7 -41.33 96.09 Favored 'General case' 0 N--CA 1.45 -0.471 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.296 -178.381 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -57.15 -41.22 78.75 Favored 'General case' 0 N--CA 1.454 -0.232 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.525 178.394 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' MET . . . . . 0.517 ' HG3' ' O ' ' A' ' 74' ' ' LYS . 66.3 mtt -60.91 -43.39 98.61 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.388 178.071 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -69.66 -39.66 76.92 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.927 -0.579 . . . . 0.0 111.254 -179.432 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . 0.475 HG13 ' O ' ' A' ' 76' ' ' GLU . 88.7 mt -65.43 -50.42 72.71 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.68 178.699 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 43.5 mm -61.75 -34.31 61.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.512 179.362 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 24.0 tptm -60.32 -49.5 77.37 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.486 177.033 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 57.3 mttp -71.55 -28.72 64.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.532 179.877 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . 0.512 ' O ' ' HG ' ' A' ' 88' ' ' LEU . 2.0 t80 -62.38 -53.8 49.63 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.914 -0.585 . . . . 0.0 109.436 177.47 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -62.27 -35.11 77.97 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.844 -0.617 . . . . 0.0 110.779 178.131 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 6.7 tmtm? -62.71 -49.47 74.96 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.223 -179.591 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -69.64 -32.26 70.85 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.27 -178.009 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.512 ' HG ' ' O ' ' A' ' 84' ' ' PHE . 86.8 mt -63.0 -42.17 99.78 Favored 'General case' 0 N--CA 1.463 0.188 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.63 174.744 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -60.76 -44.54 96.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.459 179.071 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . 0.651 ' O ' HG13 ' A' ' 94' ' ' ILE . . . -61.89 -46.42 89.47 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.39 176.487 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 60.9 tpp -59.51 -40.76 88.13 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.695 -179.829 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 58.0 tp -58.77 -43.62 90.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.789 177.877 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 80.0 mtp180 -66.14 -29.44 69.74 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.098 179.86 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . 0.651 HG13 ' O ' ' A' ' 90' ' ' ALA . 12.7 mt -74.04 -34.96 40.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 C-N-CA 120.818 -0.353 . . . . 0.0 110.555 178.666 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . 0.44 HD12 ' CD1' ' B' ' 69' ' ' TRP . 20.3 mm -55.54 -49.26 74.81 Favored 'Isoleucine or valine' 0 C--O 1.232 0.179 0 N-CA-C 109.16 -0.682 . . . . 0.0 109.16 173.08 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' ASN . . . . . 0.487 ' OD1' ' HB3' ' B' ' 74' ' ' LYS . 86.9 m-20 -59.42 -45.79 90.56 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.019 175.355 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -65.49 -6.5 10.78 Favored 'General case' 0 CA--C 1.53 0.204 0 CA-C-N 115.639 -0.71 . . . . 0.0 112.822 -175.262 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . 0.467 ' HD2' ' CZ3' ' B' ' 69' ' ' TRP . 5.6 mmp_? -64.36 -20.43 66.12 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 121.311 0.576 . . . . 0.0 109.712 172.397 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 30.2 mmmt -138.24 -58.93 0.64 Allowed 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.321 -0.854 . . . . 0.0 109.834 179.413 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 58.08 55.44 5.21 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.154 -0.93 . . . . 0.0 110.237 -176.182 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 62.5 pttt -75.71 -12.82 60.27 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.356 177.734 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 37.1 mmtm -92.2 22.86 4.14 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.0 177.527 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 39.2 ptt180 -69.17 -26.67 64.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.081 0.467 . . . . 0.0 110.186 175.66 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 8.0 tpm_? . . . . . 0 C--O 1.247 0.954 0 CA-C-O 118.55 -0.738 . . . . 0.0 109.755 178.152 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.0 0 CA-C-O 121.009 0.433 . . . . 0.0 110.54 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 36' ' ' GLY . . . . . . . . . . . . . . . -59.38 -28.68 65.0 Favored Glycine 0 N--CA 1.452 -0.258 0 CA-C-N 115.754 -0.657 . . . . 0.0 112.914 -177.167 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 57.1 tp -65.98 -29.53 69.93 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 120.955 0.407 . . . . 0.0 110.997 -179.789 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -92.94 -24.68 18.32 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.919 -176.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -92.83 -13.93 28.45 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.827 0.346 . . . . 0.0 111.451 -179.777 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . 84.79 39.87 8.5 Favored Glycine 0 N--CA 1.45 -0.43 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.031 -179.437 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 41' ' ' HIS . . . . . . . . . . . . . 10.0 t60 -130.45 109.94 11.09 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 110.071 -0.344 . . . . 0.0 110.071 -176.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 42' ' ' GLY . . . . . 0.572 ' HA3' ' SD ' ' B' ' 46' ' ' MET . . . -155.58 -177.49 28.87 Favored Glycine 0 N--CA 1.446 -0.645 0 C-N-CA 120.475 -0.869 . . . . 0.0 112.329 -179.489 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 43' ' ' PRO . . . . . 0.563 ' O ' HG21 ' B' ' 47' ' ' VAL . 31.3 Cg_exo -62.24 168.85 8.71 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 123.386 2.724 . . . . 0.0 112.741 178.059 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 13.2 pt -57.48 -35.47 49.89 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.412 0 N-CA-C 112.12 0.415 . . . . 0.0 112.12 -175.756 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 44.9 mtp180 -60.06 -45.53 92.57 Favored 'General case' 0 N--CA 1.462 0.157 0 CA-C-O 121.235 0.54 . . . . 0.0 110.288 175.301 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 46' ' ' MET . . . . . 0.572 ' SD ' ' HA3' ' B' ' 42' ' ' GLY . 55.9 ttm -68.02 -31.15 70.63 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.496 -0.775 . . . . 0.0 110.411 -179.903 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 47' ' ' VAL . . . . . 0.563 HG21 ' O ' ' B' ' 43' ' ' PRO . 58.0 t -58.42 -49.15 83.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.568 176.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 87.9 mt -69.42 -30.0 67.85 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.724 179.665 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -69.57 -48.95 58.53 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.235 178.875 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 50' ' ' ILE . . . . . . . . . . . . . 30.3 pt -70.3 -24.8 26.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.902 0.382 . . . . 0.0 110.293 179.464 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 10.6 tp -66.65 -49.04 67.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.874 -0.603 . . . . 0.0 109.711 173.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -57.83 -37.67 74.24 Favored 'General case' 0 C--O 1.233 0.213 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.427 178.34 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 53' ' ' PHE . . . . . . . . . . . . . 82.4 t80 -55.94 -63.31 1.22 Allowed 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.797 -0.638 . . . . 0.0 109.909 174.327 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 54' ' ' LEU . . . . . . . . . . . . . 95.8 mt -66.17 -5.84 11.47 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-O 121.039 0.447 . . . . 0.0 112.1 -178.272 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 55' ' ' ARG . . . . . . . . . . . . . 28.6 tpt180 -89.91 -51.46 5.47 Favored 'General case' 0 N--CA 1.425 -1.711 0 CA-C-O 120.949 0.404 . . . . 0.0 110.481 177.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 56' ' ' PHE . . . . . 0.403 ' CZ ' ' HA ' ' A' ' 84' ' ' PHE . 92.3 m-85 -88.95 -24.1 22.51 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.112 -0.494 . . . . 0.0 112.059 -175.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 57' ' ' THR . . . . . . . . . . . . . 31.0 p -90.81 2.56 55.98 Favored 'General case' 0 C--O 1.236 0.366 0 CA-C-O 121.053 0.454 . . . . 0.0 109.913 176.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 58' ' ' ALA . . . . . 0.415 ' O ' ' HB ' ' B' ' 59' ' ' ILE . . . 72.73 -172.46 0.14 Allowed 'General case' 0 N--CA 1.462 0.127 0 CA-C-N 114.737 -1.12 . . . . 0.0 111.173 -179.154 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 59' ' ' ILE . . . . . 0.415 ' HB ' ' O ' ' B' ' 58' ' ' ALA . 47.5 mm 72.03 105.39 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.462 0.173 0 O-C-N 123.723 0.64 . . . . 0.0 110.169 -172.459 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 58.4 tttp -62.38 126.91 89.02 Favored Pre-proline 0 C--N 1.327 -0.405 0 CA-C-N 115.438 -0.801 . . . . 0.0 111.094 -174.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 61' ' ' PRO . . . . . . . . . . . . . 45.1 Cg_exo -56.44 138.49 84.31 Favored 'Trans proline' 0 C--N 1.345 0.392 0 C-N-CA 122.892 2.395 . . . . 0.0 111.878 176.362 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 16.0 m -69.65 164.9 22.36 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.056 -179.111 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -60.68 -29.11 69.1 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.702 -0.226 . . . . 0.0 111.241 -176.348 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -60.34 -42.64 98.93 Favored Glycine 0 C--O 1.237 0.289 0 C-N-CA 120.542 -0.837 . . . . 0.0 111.558 176.372 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -64.43 -47.7 78.12 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 109.737 -0.468 . . . . 0.0 109.737 177.187 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 66' ' ' ILE . . . . . . . . . . . . . 50.3 mm -62.71 -36.56 75.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 115.462 -0.79 . . . . 0.0 111.334 -177.567 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 67' ' ' ASN . . . . . . . . . . . . . 10.2 t30 -64.63 -43.52 93.43 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.797 178.436 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 68' ' ' ARG . . . . . . . . . . . . . 51.0 ttp180 -76.55 -30.5 57.11 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.508 0.67 . . . . 0.0 109.767 -178.53 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 69' ' ' TRP . . . . . 0.467 ' CZ3' ' HD2' ' A' ' 98' ' ' ARG . 39.3 t90 -57.86 -49.36 76.95 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 114.772 -1.104 . . . . 0.0 110.738 175.112 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . -75.13 1.56 55.28 Favored Glycine 0 CA--C 1.521 0.439 0 C-N-CA 120.943 -0.646 . . . . 0.0 112.829 177.684 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 71' ' ' SER . . . . . . . . . . . . . 55.8 m -94.61 -13.74 25.63 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 122.62 -0.341 . . . . 0.0 110.657 178.724 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 72' ' ' VAL . . . . . . . . . . . . . 47.3 t -68.06 136.43 26.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.227 -0.442 . . . . 0.0 109.851 176.835 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 73' ' ' GLY . . . . . . . . . . . . . . . -62.98 139.84 45.1 Favored Glycine 0 N--CA 1.446 -0.69 0 C-N-CA 120.691 -0.766 . . . . 0.0 111.32 178.087 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 74' ' ' LYS . . . . . 0.534 ' O ' ' HG3' ' B' ' 78' ' ' MET . 25.4 mmtp -65.28 -39.6 92.8 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 109.418 -0.586 . . . . 0.0 109.418 -175.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 75' ' ' LYS . . . . . . . . . . . . . 22.6 tptm -62.77 -47.07 85.13 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.251 -0.886 . . . . 0.0 110.239 176.022 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 76' ' ' GLU . . . . . 0.489 ' O ' HG13 ' B' ' 80' ' ' ILE . 9.9 tp10 -65.23 -41.32 94.51 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.163 -178.238 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 77' ' ' ALA . . . . . . . . . . . . . . . -57.08 -41.2 78.41 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.483 -0.326 . . . . 0.0 110.465 178.374 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 78' ' ' MET . . . . . 0.534 ' HG3' ' O ' ' B' ' 74' ' ' LYS . 66.3 mtt -60.84 -43.21 98.6 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.553 178.003 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 79' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -69.92 -39.52 76.09 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.892 -0.595 . . . . 0.0 111.256 -179.525 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 80' ' ' ILE . . . . . 0.489 HG13 ' O ' ' B' ' 76' ' ' GLU . 88.8 mt -65.44 -50.32 73.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.694 178.811 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 81' ' ' ILE . . . . . . . . . . . . . 44.3 mm -61.71 -34.32 61.65 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.609 179.212 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 82' ' ' LYS . . . . . . . . . . . . . 24.0 tptm -60.37 -49.46 77.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.381 177.13 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 83' ' ' LYS . . . . . . . . . . . . . 57.5 mttp -71.76 -28.51 63.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.506 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 84' ' ' PHE . . . . . 0.535 ' O ' ' HG ' ' B' ' 88' ' ' LEU . 2.0 t80 -62.55 -53.9 47.75 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.874 -0.603 . . . . 0.0 109.449 177.444 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 85' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -62.01 -35.09 77.53 Favored 'General case' 0 C--O 1.233 0.19 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.754 178.039 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 86' ' ' LYS . . . . . . . . . . . . . 6.7 tmtm? -62.77 -49.54 74.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.268 -179.5 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 87' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -69.38 -32.54 71.64 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.18 -178.112 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 88' ' ' LEU . . . . . 0.535 ' HG ' ' O ' ' B' ' 84' ' ' PHE . 87.1 mt -62.89 -42.16 99.67 Favored 'General case' 0 N--CA 1.463 0.194 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.631 174.949 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -60.7 -44.6 96.36 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.412 179.118 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 90' ' ' ALA . . . . . 0.651 ' O ' HG13 ' B' ' 94' ' ' ILE . . . -61.93 -46.13 90.69 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.387 176.623 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 91' ' ' MET . . . . . . . . . . . . . 61.0 tpp -59.88 -40.82 89.99 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.622 -179.767 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 92' ' ' LEU . . . . . . . . . . . . . 58.1 tp -58.71 -43.61 90.14 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.769 -0.651 . . . . 0.0 110.794 177.798 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 93' ' ' ARG . . . . . . . . . . . . . 80.0 mtp180 -65.88 -29.92 70.44 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.007 179.792 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 94' ' ' ILE . . . . . 0.651 HG13 ' O ' ' B' ' 90' ' ' ALA . 12.9 mt -73.63 -34.85 42.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 C-N-CA 120.791 -0.364 . . . . 0.0 110.582 179.056 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 95' ' ' ILE . . . . . 0.428 HD12 ' CD1' ' A' ' 69' ' ' TRP . 20.3 mm -55.86 -49.07 77.16 Favored 'Isoleucine or valine' 0 C--O 1.232 0.171 0 N-CA-C 109.178 -0.675 . . . . 0.0 109.178 173.151 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 96' ' ' ASN . . . . . 0.5 ' OD1' ' HB3' ' A' ' 74' ' ' LYS . 86.8 m-20 -59.47 -45.78 90.66 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.034 175.272 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 97' ' ' ALA . . . . . . . . . . . . . . . -65.69 -6.22 10.83 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.57 -0.741 . . . . 0.0 112.758 -175.321 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 98' ' ' ARG . . . . . 0.459 ' HD2' ' CZ3' ' A' ' 69' ' ' TRP . 5.6 mmp_? -64.37 -20.42 66.11 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 121.24 0.543 . . . . 0.0 109.736 172.301 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 99' ' ' LYS . . . . . . . . . . . . . 30.2 mmmt -138.6 -58.39 0.63 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.352 -0.84 . . . . 0.0 109.911 179.701 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 100' ' ' GLU . . . . . . . . . . . . . 7.0 tp10 57.47 55.6 5.6 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.12 -0.945 . . . . 0.0 110.224 -176.231 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 101' ' ' LYS . . . . . . . . . . . . . 62.5 pttt -75.47 -12.75 60.3 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.522 -0.763 . . . . 0.0 110.395 177.535 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 102' ' ' LYS . . . . . . . . . . . . . 36.7 mmtm -92.36 21.8 5.01 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.033 178.142 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 103' ' ' ARG . . . . . . . . . . . . . 39.2 ptt180 -68.18 -26.9 65.98 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.174 176.069 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 104' ' ' ARG . . . . . . . . . . . . . 8.0 tpm_? . . . . . 0 C--O 1.247 0.956 0 CA-C-O 118.668 -0.682 . . . . 0.0 109.856 178.237 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 0.988 0 CA-C-O 120.807 0.337 . . . . 0.0 110.597 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -60.12 -27.22 64.66 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 121.178 -0.534 . . . . 0.0 112.527 -179.23 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 59.1 tp -62.91 -32.78 74.13 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.088 0.47 . . . . 0.0 111.146 178.261 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 91.0 mt -95.76 -29.38 14.29 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.889 0.376 . . . . 0.0 111.316 -176.069 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -91.89 -27.27 18.03 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.701 -176.815 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 98.38 -3.47 59.69 Favored Glycine 0 N--CA 1.449 -0.471 0 N-CA-C 111.168 -0.773 . . . . 0.0 111.168 -174.913 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 35.2 t60 -84.43 67.02 9.73 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.197 0.522 . . . . 0.0 109.936 179.653 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -96.28 156.51 21.25 Favored Glycine 0 N--CA 1.445 -0.731 0 C-N-CA 120.537 -0.84 . . . . 0.0 111.607 177.738 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.548 ' HD2' ' SD ' ' A' ' 46' ' ' MET . 50.1 Cg_endo -68.58 176.69 5.52 Favored 'Trans proline' 0 N--CA 1.464 -0.215 0 C-N-CA 122.592 2.195 . . . . 0.0 111.746 176.638 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 19.3 pt -47.71 -44.67 10.61 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.528 0 N-CA-C 113.772 1.027 . . . . 0.0 113.772 -171.461 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -67.23 -41.99 84.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.048 0.452 . . . . 0.0 110.804 -178.722 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' MET . . . . . 0.58 ' O ' HG13 ' A' ' 50' ' ' ILE . 56.3 mtt -68.02 -27.33 66.45 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.788 176.59 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.512 HG23 ' O ' ' A' ' 43' ' ' PRO . 90.3 t -59.38 -49.73 82.45 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.177 0 N-CA-C 110.148 -0.316 . . . . 0.0 110.148 175.859 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 11.2 mp -64.04 -32.5 74.07 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.035 177.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -67.79 -48.97 64.82 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.133 176.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.58 HG13 ' O ' ' A' ' 46' ' ' MET . 57.0 mt -65.9 -31.53 54.11 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-O 121.309 0.576 . . . . 0.0 109.83 177.792 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 15.8 tp -59.25 -53.8 54.17 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.474 -0.784 . . . . 0.0 110.255 175.019 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.55 -38.05 80.06 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-O 121.008 0.432 . . . . 0.0 110.577 178.733 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 0.4 ' HB3' ' O ' ' A' ' 50' ' ' ILE . 87.2 t80 -55.39 -60.7 3.04 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.53 -0.759 . . . . 0.0 109.412 174.58 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.428 HD13 ' H ' ' A' ' 62' ' ' SER . 64.4 mt -72.41 -0.43 12.48 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.777 -178.579 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 20.6 tpt180 -90.33 -35.28 15.33 Favored 'General case' 0 N--CA 1.427 -1.581 0 CA-C-O 121.044 0.45 . . . . 0.0 110.118 177.154 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 57.9 m-85 -110.79 -22.9 11.33 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 112.439 0.533 . . . . 0.0 112.439 -176.572 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' THR . . . . . 0.488 ' HA ' ' HG2' ' B' ' 46' ' ' MET . 35.0 p -96.27 -5.88 39.21 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.376 0.608 . . . . 0.0 110.707 -179.817 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -140.97 167.75 21.43 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.514 -0.766 . . . . 0.0 110.442 -174.738 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.446 ' N ' HD12 ' A' ' 59' ' ' ILE . 4.2 mp -90.67 -25.38 5.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-O 121.932 0.873 . . . . 0.0 110.201 -176.48 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -148.26 124.06 5.24 Favored Pre-proline 0 C--N 1.306 -1.317 0 CA-C-N 114.509 -1.223 . . . . 0.0 110.55 -179.719 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 30.2 Cg_exo -62.22 139.66 79.05 Favored 'Trans proline' 0 C--O 1.233 0.249 0 C-N-CA 122.674 2.249 . . . . 0.0 111.921 175.623 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' SER . . . . . 0.428 ' H ' HD13 ' A' ' 54' ' ' LEU . 46.7 t -61.79 137.68 58.27 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.966 -179.102 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 95.1 mt -65.62 -20.73 66.42 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.456 -0.793 . . . . 0.0 111.596 -175.51 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -63.09 -45.33 95.7 Favored Glycine 0 N--CA 1.449 -0.462 0 C-N-CA 120.422 -0.894 . . . . 0.0 111.116 174.432 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.523 ' O ' ' HB2' ' A' ' 69' ' ' TRP . 4.0 mm? -70.75 -30.03 66.44 Favored 'General case' 0 C--O 1.22 -0.465 0 N-CA-C 110.129 -0.322 . . . . 0.0 110.129 177.297 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 47.3 mm -70.19 -30.95 45.59 Favored 'Isoleucine or valine' 0 C--O 1.235 0.342 0 CA-C-O 121.249 0.547 . . . . 0.0 110.542 177.561 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 44.5 t30 -70.76 -43.06 69.58 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.4 177.456 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 39.2 ttm180 -86.44 -7.08 58.71 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.697 0.761 . . . . 0.0 109.917 -178.328 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' TRP . . . . . 0.568 ' NE1' HD13 ' B' ' 95' ' ' ILE . 7.2 t90 -59.8 -44.56 93.92 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 114.601 -1.182 . . . . 0.0 110.048 177.279 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -80.7 -10.83 84.69 Favored Glycine 0 N--CA 1.449 -0.492 0 CA-C-N 115.575 -0.738 . . . . 0.0 112.315 178.419 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 47.7 t -69.49 -16.96 63.56 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.101 0.477 . . . . 0.0 109.995 178.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.455 ' C ' ' H ' ' A' ' 74' ' ' LYS . 12.1 t -74.54 135.23 27.84 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.538 0 N-CA-C 108.923 -0.769 . . . . 0.0 108.923 174.231 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . 0.564 ' O ' ' HG2' ' A' ' 74' ' ' LYS . . . -72.43 19.27 1.13 Allowed Glycine 0 CA--C 1.524 0.598 0 C-N-CA 121.321 -0.466 . . . . 0.0 114.234 -173.493 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.564 ' HG2' ' O ' ' A' ' 73' ' ' GLY . 9.4 ptpp? 61.29 -44.28 0.13 Allowed 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 125.734 1.614 . . . . 0.0 113.81 178.548 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 21.3 tptm -67.75 -42.89 81.07 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 118.669 0.668 . . . . 0.0 109.483 175.537 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . 0.584 ' O ' HG13 ' A' ' 80' ' ' ILE . 20.5 tp10 -59.1 -40.08 84.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.711 -0.677 . . . . 0.0 109.522 174.234 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . 0.516 ' O ' HG12 ' A' ' 81' ' ' ILE . . . -60.85 -39.98 91.16 Favored 'General case' 0 N--CA 1.454 -0.241 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.636 179.762 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' MET . . . . . 0.509 ' HG3' ' O ' ' A' ' 74' ' ' LYS . 90.6 mtp -59.62 -42.24 92.22 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-O 121.023 0.439 . . . . 0.0 110.096 177.932 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 24.7 mt-10 -67.72 -43.15 80.69 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.749 177.843 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . 0.584 HG13 ' O ' ' A' ' 76' ' ' GLU . 78.2 mt -59.42 -46.52 92.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.682 178.257 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . 0.516 HG12 ' O ' ' A' ' 77' ' ' ALA . 41.3 mm -62.29 -40.14 86.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.107 -179.87 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 8.2 ttpm? -64.05 -41.77 97.26 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-O 121.051 0.453 . . . . 0.0 110.102 177.672 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 27.3 mtpp -62.11 -46.8 87.43 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.515 175.25 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . 0.483 ' O ' ' HG ' ' A' ' 88' ' ' LEU . 0.8 OUTLIER -56.55 -51.46 68.49 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.216 -0.902 . . . . 0.0 110.8 -178.611 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -61.59 -36.65 81.3 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.244 -179.109 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . 0.421 ' NZ ' ' HB3' ' A' ' 86' ' ' LYS . 5.1 ttpm? -63.31 -48.38 78.3 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.338 179.025 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -64.26 -37.82 88.84 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.568 -179.805 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.483 ' HG ' ' O ' ' A' ' 84' ' ' PHE . 91.1 mt -60.46 -45.58 93.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.394 176.356 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . 0.401 ' O ' ' HG3' ' A' ' 93' ' ' ARG . . . -62.12 -43.91 97.8 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.864 179.199 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . 0.498 ' O ' HG13 ' A' ' 94' ' ' ILE . . . -63.76 -47.23 81.82 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.176 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 72.7 mtm -66.59 -33.79 76.46 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.011 -178.451 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.448 ' HB2' HG13 ' B' ' 81' ' ' ILE . 55.4 tp -60.73 -45.73 93.14 Favored 'General case' 0 C--O 1.238 0.479 0 CA-C-O 121.505 0.669 . . . . 0.0 110.411 174.882 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . 0.401 ' HG3' ' O ' ' A' ' 89' ' ' ALA . 98.2 mtt180 -61.4 -32.22 72.15 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.358 -0.837 . . . . 0.0 110.61 179.101 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . 0.498 HG13 ' O ' ' A' ' 90' ' ' ALA . 64.5 mt -68.73 -36.24 73.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.516 -0.311 . . . . 0.0 110.966 177.463 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . 0.586 HD13 ' NE1' ' B' ' 69' ' ' TRP . 19.1 mm -56.37 -48.54 79.7 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.266 0 CA-C-O 121.62 0.724 . . . . 0.0 109.654 175.617 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 9.8 t30 -76.29 -21.31 56.42 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.307 -0.861 . . . . 0.0 111.132 -178.698 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -70.92 -41.85 70.67 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 120.938 0.399 . . . . 0.0 111.015 179.193 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . 0.453 ' C ' ' H ' ' A' ' 100' ' ' GLU . 13.6 ptm180 -76.1 -34.83 59.51 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.575 -173.024 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 36.7 mtmm 63.57 -2.95 0.45 Allowed 'General case' 0 N--CA 1.47 0.565 0 CA-C-N 115.858 -0.61 . . . . 0.0 112.293 174.574 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . 0.453 ' H ' ' C ' ' A' ' 98' ' ' ARG . 5.7 mm-40 55.9 38.02 29.53 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.66 -0.7 . . . . 0.0 111.895 -176.052 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 4.2 mptp? 56.53 54.2 7.72 Favored 'General case' 0 C--O 1.236 0.393 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.535 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 21.6 tptm -78.87 57.69 2.19 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.796 0.808 . . . . 0.0 109.873 -178.757 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 19.8 ptt180 -123.17 8.2 9.17 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.064 -0.971 . . . . 0.0 109.348 178.75 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 93.9 mtt180 . . . . . 0 C--O 1.249 1.07 0 CA-C-N 114.842 -1.072 . . . . 0.0 110.854 -179.332 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 0.903 0 CA-C-O 120.806 0.336 . . . . 0.0 110.538 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 36' ' ' GLY . . . . . . . . . . . . . . . -59.95 -27.46 64.63 Favored Glycine 0 C--O 1.226 -0.372 0 C-N-CA 121.304 -0.474 . . . . 0.0 112.608 -179.476 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 59.1 tp -62.84 -32.37 73.58 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 120.932 0.396 . . . . 0.0 111.241 178.096 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 91.5 mt -96.01 -29.55 14.07 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.534 -0.303 . . . . 0.0 111.313 -176.222 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -91.58 -27.35 18.23 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.774 -176.757 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . 98.53 -3.76 59.57 Favored Glycine 0 N--CA 1.45 -0.385 0 N-CA-C 111.234 -0.746 . . . . 0.0 111.234 -174.756 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 41' ' ' HIS . . . . . . . . . . . . . 35.1 t60 -84.5 67.3 9.88 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.198 0.523 . . . . 0.0 109.877 179.714 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 42' ' ' GLY . . . . . . . . . . . . . . . -96.7 155.83 20.92 Favored Glycine 0 N--CA 1.445 -0.763 0 C-N-CA 120.69 -0.767 . . . . 0.0 111.612 177.642 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 43' ' ' PRO . . . . . 0.546 ' HD2' ' SD ' ' B' ' 46' ' ' MET . 48.5 Cg_endo -68.12 176.77 5.06 Favored 'Trans proline' 0 CA--C 1.529 0.258 0 C-N-CA 122.584 2.189 . . . . 0.0 111.663 177.131 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 19.6 pt -47.68 -44.67 10.48 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.51 0 N-CA-C 113.908 1.077 . . . . 0.0 113.908 -171.559 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -67.21 -42.1 84.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.083 0.468 . . . . 0.0 110.854 -178.825 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 46' ' ' MET . . . . . 0.57 ' O ' HG13 ' B' ' 50' ' ' ILE . 56.6 mtt -67.92 -27.21 66.43 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.847 176.484 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 47' ' ' VAL . . . . . 0.513 HG23 ' O ' ' B' ' 43' ' ' PRO . 89.5 t -59.57 -49.59 83.12 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.191 0 N-CA-C 110.189 -0.3 . . . . 0.0 110.189 175.83 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 11.2 mp -64.16 -32.35 73.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.085 177.908 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -67.87 -49.04 64.32 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.8 0.333 . . . . 0.0 111.124 176.854 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 50' ' ' ILE . . . . . 0.57 HG13 ' O ' ' B' ' 46' ' ' MET . 57.1 mt -65.88 -31.45 53.79 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-O 121.254 0.549 . . . . 0.0 109.815 177.778 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 15.8 tp -59.26 -53.68 55.46 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.481 -0.781 . . . . 0.0 110.286 174.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.69 -38.02 80.4 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-O 121.046 0.451 . . . . 0.0 110.591 178.705 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 53' ' ' PHE . . . . . . . . . . . . . 86.5 t80 -55.34 -60.85 2.84 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.521 -0.763 . . . . 0.0 109.43 174.514 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 54' ' ' LEU . . . . . 0.429 HD13 ' H ' ' B' ' 62' ' ' SER . 64.5 mt -72.37 -0.33 12.12 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.823 -178.613 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 55' ' ' ARG . . . . . . . . . . . . . 20.7 tpt180 -90.33 -35.55 15.17 Favored 'General case' 0 N--CA 1.426 -1.632 0 CA-C-O 121.121 0.486 . . . . 0.0 110.085 177.013 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 56' ' ' PHE . . . . . . . . . . . . . 57.9 m-85 -110.38 -23.11 11.36 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 112.402 0.519 . . . . 0.0 112.402 -176.554 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 57' ' ' THR . . . . . 0.494 ' HA ' ' HG2' ' A' ' 46' ' ' MET . 34.6 p -96.19 -5.84 39.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.35 0.595 . . . . 0.0 110.679 -179.746 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -141.02 167.35 22.41 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.617 -0.72 . . . . 0.0 110.43 -174.727 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 59' ' ' ILE . . . . . 0.441 HD12 ' N ' ' B' ' 59' ' ' ILE . 4.2 mp -90.39 -25.47 5.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-O 121.781 0.801 . . . . 0.0 110.153 -176.465 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -148.26 124.05 5.23 Favored Pre-proline 0 C--N 1.306 -1.3 0 CA-C-N 114.63 -1.168 . . . . 0.0 110.54 -179.765 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 61' ' ' PRO . . . . . . . . . . . . . 29.7 Cg_exo -62.53 139.38 75.82 Favored 'Trans proline' 0 C--O 1.236 0.395 0 C-N-CA 122.685 2.257 . . . . 0.0 111.799 175.749 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 62' ' ' SER . . . . . 0.429 ' H ' HD13 ' B' ' 54' ' ' LEU . 48.2 t -61.48 138.06 58.26 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.662 -0.699 . . . . 0.0 111.024 -179.024 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 95.7 mt -66.26 -20.13 66.02 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 115.526 -0.761 . . . . 0.0 111.505 -175.232 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -63.6 -45.22 95.14 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.414 -0.898 . . . . 0.0 111.119 174.311 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 65' ' ' LEU . . . . . 0.526 ' O ' ' HB2' ' B' ' 69' ' ' TRP . 4.0 mm? -70.64 -30.15 66.7 Favored 'General case' 0 C--O 1.22 -0.45 0 N-CA-C 110.149 -0.315 . . . . 0.0 110.149 177.166 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 66' ' ' ILE . . . . . . . . . . . . . 47.3 mm -69.82 -31.24 47.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 121.309 0.576 . . . . 0.0 110.57 177.559 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 67' ' ' ASN . . . . . . . . . . . . . 43.4 t30 -70.5 -43.42 69.72 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.281 177.738 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 68' ' ' ARG . . . . . . . . . . . . . 39.3 ttm180 -86.21 -7.1 58.79 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.651 0.739 . . . . 0.0 109.961 -178.233 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 69' ' ' TRP . . . . . 0.586 ' NE1' HD13 ' A' ' 95' ' ' ILE . 7.2 t90 -59.79 -44.62 93.86 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 114.657 -1.156 . . . . 0.0 110.065 177.233 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . -80.62 -10.85 84.72 Favored Glycine 0 N--CA 1.448 -0.501 0 CA-C-N 115.613 -0.721 . . . . 0.0 112.258 178.419 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 71' ' ' SER . . . . . . . . . . . . . 48.0 t -69.53 -17.18 63.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.113 0.482 . . . . 0.0 109.868 179.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 72' ' ' VAL . . . . . 0.427 ' C ' ' H ' ' B' ' 74' ' ' LYS . 12.1 t -74.23 135.62 27.05 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.593 0 N-CA-C 108.926 -0.768 . . . . 0.0 108.926 174.27 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 73' ' ' GLY . . . . . 0.56 ' O ' ' HG2' ' B' ' 74' ' ' LYS . . . -72.86 19.49 1.21 Allowed Glycine 0 CA--C 1.523 0.55 0 CA-C-O 119.643 -0.532 . . . . 0.0 114.135 -173.411 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 74' ' ' LYS . . . . . 0.56 ' HG2' ' O ' ' B' ' 73' ' ' GLY . 9.4 ptpp? 61.24 -44.46 0.13 Allowed 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 125.74 1.616 . . . . 0.0 113.8 178.46 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 75' ' ' LYS . . . . . . . . . . . . . 21.4 tptm -67.7 -42.85 81.38 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 118.612 0.642 . . . . 0.0 109.51 175.56 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 76' ' ' GLU . . . . . 0.567 ' O ' HG13 ' B' ' 80' ' ' ILE . 20.9 tp10 -59.18 -40.06 84.48 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.629 -0.714 . . . . 0.0 109.609 174.211 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 77' ' ' ALA . . . . . 0.514 ' O ' HG12 ' B' ' 81' ' ' ILE . . . -60.76 -40.03 90.99 Favored 'General case' 0 N--CA 1.454 -0.226 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.668 179.693 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 78' ' ' MET . . . . . 0.515 ' HG3' ' O ' ' B' ' 74' ' ' LYS . 90.4 mtp -59.57 -42.18 91.87 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-O 121.102 0.477 . . . . 0.0 110.08 178.065 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 79' ' ' GLU . . . . . . . . . . . . . 23.9 mt-10 -67.55 -43.76 79.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.639 -0.71 . . . . 0.0 110.744 177.839 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 80' ' ' ILE . . . . . 0.567 HG13 ' O ' ' B' ' 76' ' ' GLU . 78.6 mt -59.08 -46.55 91.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.679 178.286 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 81' ' ' ILE . . . . . 0.514 HG12 ' O ' ' B' ' 77' ' ' ALA . 41.6 mm -62.19 -40.09 86.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.113 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 82' ' ' LYS . . . . . . . . . . . . . 8.2 ttpm? -64.13 -41.87 97.04 Favored 'General case' 0 C--O 1.235 0.333 0 CA-C-O 120.981 0.42 . . . . 0.0 110.021 177.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 83' ' ' LYS . . . . . . . . . . . . . 27.3 mtpp -61.98 -46.93 87.09 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.556 175.187 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 84' ' ' PHE . . . . . 0.489 ' O ' ' HG ' ' B' ' 88' ' ' LEU . 0.8 OUTLIER -56.5 -51.41 68.62 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.252 -0.886 . . . . 0.0 110.807 -178.663 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 85' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -61.61 -36.72 81.54 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.223 -179.117 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 86' ' ' LYS . . . . . 0.429 ' NZ ' ' HB3' ' B' ' 86' ' ' LYS . 5.1 ttpm? -63.2 -48.63 77.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.051 0.453 . . . . 0.0 110.385 178.872 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 87' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -63.99 -38.0 89.46 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.705 -0.68 . . . . 0.0 110.577 -179.871 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 88' ' ' LEU . . . . . 0.489 ' HG ' ' O ' ' B' ' 84' ' ' PHE . 91.2 mt -60.47 -45.35 94.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.487 176.389 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 89' ' ' ALA . . . . . 0.403 ' O ' ' HG3' ' B' ' 93' ' ' ARG . . . -62.13 -44.09 97.39 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.868 179.212 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 90' ' ' ALA . . . . . 0.494 ' O ' HG13 ' B' ' 94' ' ' ILE . . . -63.87 -47.17 81.72 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.15 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 91' ' ' MET . . . . . . . . . . . . . 72.8 mtm -66.41 -33.88 76.7 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.12 -178.627 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 92' ' ' LEU . . . . . 0.456 ' HB2' HG13 ' A' ' 81' ' ' ILE . 55.6 tp -60.67 -45.76 92.92 Favored 'General case' 0 C--O 1.238 0.474 0 CA-C-O 121.464 0.65 . . . . 0.0 110.444 174.807 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 93' ' ' ARG . . . . . 0.403 ' HG3' ' O ' ' B' ' 89' ' ' ALA . 98.1 mtt180 -61.34 -32.28 72.17 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.398 -0.819 . . . . 0.0 110.503 179.147 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 94' ' ' ILE . . . . . 0.494 HG13 ' O ' ' B' ' 90' ' ' ALA . 64.2 mt -68.71 -36.33 73.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.595 -0.275 . . . . 0.0 110.921 177.515 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 95' ' ' ILE . . . . . 0.568 HD13 ' NE1' ' A' ' 69' ' ' TRP . 19.0 mm -56.43 -48.55 79.84 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.268 0 CA-C-O 121.549 0.69 . . . . 0.0 109.588 175.648 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 96' ' ' ASN . . . . . . . . . . . . . 9.9 t30 -76.36 -21.18 56.42 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.41 -0.814 . . . . 0.0 111.129 -178.673 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 97' ' ' ALA . . . . . . . . . . . . . . . -70.9 -41.84 70.73 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.098 0.475 . . . . 0.0 111.109 179.063 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 98' ' ' ARG . . . . . 0.451 ' C ' ' H ' ' B' ' 100' ' ' GLU . 13.6 ptm180 -75.93 -35.21 59.82 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.604 -173.021 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 99' ' ' LYS . . . . . . . . . . . . . 36.7 mtmm 63.76 -2.35 0.53 Allowed 'General case' 0 N--CA 1.471 0.591 0 CA-C-N 115.658 -0.701 . . . . 0.0 112.195 174.682 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 100' ' ' GLU . . . . . 0.451 ' H ' ' C ' ' B' ' 98' ' ' ARG . 5.7 mm-40 55.43 38.21 29.96 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.65 -0.704 . . . . 0.0 111.926 -176.187 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 101' ' ' LYS . . . . . . . . . . . . . 4.2 mptp? 56.44 54.19 7.83 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-N 115.681 -0.691 . . . . 0.0 110.562 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 102' ' ' LYS . . . . . . . . . . . . . 21.7 tptm -78.94 57.46 2.16 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.732 0.777 . . . . 0.0 109.928 -178.585 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 103' ' ' ARG . . . . . . . . . . . . . 19.4 ptt180 -123.15 8.26 9.19 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.044 -0.98 . . . . 0.0 109.339 178.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 104' ' ' ARG . . . . . . . . . . . . . 94.2 mtt180 . . . . . 0 C--O 1.25 1.08 0 CA-C-N 114.932 -1.031 . . . . 0.0 110.754 -179.413 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.08 0 CA-C-O 120.968 0.413 . . . . 0.0 110.747 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -59.71 -28.12 65.02 Favored Glycine 0 C--O 1.225 -0.456 0 CA-C-N 115.913 -0.585 . . . . 0.0 112.845 -177.136 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 27.7 tp -65.78 -23.62 66.76 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.019 0.438 . . . . 0.0 110.668 -179.371 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 83.6 mt -90.61 -37.33 13.87 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.498 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -77.54 -30.63 52.86 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.385 -0.37 . . . . 0.0 111.428 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 116.67 -1.85 20.05 Favored Glycine 0 N--CA 1.448 -0.517 0 C-N-CA 120.603 -0.808 . . . . 0.0 112.17 -178.811 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 12.4 p-80 54.56 130.78 0.0 OUTLIER 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 125.361 1.464 . . . . 0.0 113.873 178.358 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.413 ' H ' ' HD2' ' A' ' 43' ' ' PRO . . . -177.35 -42.93 0.06 OUTLIER Glycine 0 CA--C 1.523 0.592 0 CA-C-O 119.103 -0.832 . . . . 0.0 113.692 -173.085 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.413 ' HD2' ' H ' ' A' ' 42' ' ' GLY . 95.2 Cg_exo -47.79 157.18 1.06 Allowed 'Trans proline' 0 C--N 1.356 0.948 0 C-N-CA 122.709 2.273 . . . . 0.0 113.014 174.056 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.446 HD11 ' OE1' ' A' ' 76' ' ' GLU . 44.5 pt -54.53 -29.43 20.38 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.441 0 CA-C-N 115.184 -0.917 . . . . 0.0 113.075 -168.037 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 59.8 mtp180 -59.44 -48.56 81.17 Favored 'General case' 0 C--O 1.236 0.367 0 CA-C-O 121.436 0.636 . . . . 0.0 110.116 176.285 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' MET . . . . . 0.617 ' O ' HG13 ' A' ' 50' ' ' ILE . 2.1 mpt? -69.83 -31.15 68.87 Favored 'General case' 0 C--O 1.217 -0.607 0 CA-C-N 115.374 -0.83 . . . . 0.0 110.414 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 62.6 t -59.42 -46.03 93.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-O 120.691 0.282 . . . . 0.0 110.74 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 11.1 mp -68.05 -36.28 79.62 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.769 178.253 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -65.97 -47.36 74.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.181 177.482 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.617 HG13 ' O ' ' A' ' 46' ' ' MET . 61.8 mt -66.34 -33.19 61.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 109.913 178.854 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.632 ' O ' ' HG2' ' A' ' 55' ' ' ARG . 10.3 tp -57.6 -55.98 27.79 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.906 -0.588 . . . . 0.0 109.79 174.852 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -55.74 -42.49 75.46 Favored 'General case' 0 C--O 1.232 0.178 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.468 178.865 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 73.0 t80 -53.2 -56.29 17.57 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.128 174.074 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 95.6 mt -73.14 -3.12 24.52 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 112.443 0.534 . . . . 0.0 112.443 -176.768 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.632 ' HG2' ' O ' ' A' ' 51' ' ' LEU . 37.2 mmt180 -96.02 -35.99 11.19 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.697 0.284 . . . . 0.0 110.991 175.387 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . 0.4 ' CZ ' ' HA ' ' B' ' 84' ' ' PHE . 86.4 m-85 -104.36 -13.73 16.01 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 111.968 0.359 . . . . 0.0 111.968 -175.799 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 16.7 p -109.61 -6.02 15.49 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.163 0.506 . . . . 0.0 109.997 175.773 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -147.55 -176.88 5.42 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.559 -0.746 . . . . 0.0 109.471 -178.153 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 46.9 mm -118.86 -21.62 4.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-O 121.762 0.791 . . . . 0.0 110.756 179.475 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 54.0 tptt -136.81 108.7 9.15 Favored Pre-proline 0 C--N 1.305 -1.33 0 CA-C-N 115.265 -0.879 . . . . 0.0 110.803 -178.443 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 16.8 Cg_exo -68.39 148.48 73.67 Favored 'Trans proline' 0 N--CA 1.462 -0.33 0 C-N-CA 122.67 2.247 . . . . 0.0 111.687 176.054 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 5.7 m -66.56 141.38 57.87 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.546 179.444 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 95.3 mt -62.8 -18.98 63.59 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.538 -0.756 . . . . 0.0 112.341 -173.573 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -63.48 -48.35 79.02 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.559 -0.829 . . . . 0.0 111.477 174.457 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -65.47 -40.41 93.13 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 109.811 -0.44 . . . . 0.0 109.811 177.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 49.5 mm -64.08 -37.75 80.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.852 179.434 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 3.1 t-20 -61.42 -43.05 99.55 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.688 178.671 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 34.2 ttm180 -83.42 -22.43 32.69 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.993 0.425 . . . . 0.0 110.451 -178.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' TRP . . . . . 0.714 ' NE1' HD12 ' B' ' 95' ' ' ILE . 17.6 t90 -56.08 -51.92 66.16 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.487 -0.778 . . . . 0.0 110.658 178.221 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -75.13 -0.54 61.27 Favored Glycine 0 CA--C 1.52 0.364 0 C-N-CA 120.813 -0.708 . . . . 0.0 112.489 179.325 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 30.5 t -99.98 -16.49 17.93 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.686 0.279 . . . . 0.0 110.249 179.329 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 60.7 t -60.78 133.35 26.46 Favored 'Isoleucine or valine' 0 C--O 1.235 0.33 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.567 178.087 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -62.36 119.91 19.69 Favored Glycine 0 N--CA 1.443 -0.879 0 N-CA-C 111.336 -0.705 . . . . 0.0 111.336 177.188 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.503 ' HE2' ' HA ' ' B' ' 96' ' ' ASN . 10.9 ptmm? -58.74 -24.75 62.11 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 112.109 0.411 . . . . 0.0 112.109 -175.506 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 50.6 tptt -70.23 -57.4 4.94 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.19 0.519 . . . . 0.0 110.251 175.248 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . 0.479 ' O ' HG13 ' A' ' 80' ' ' ILE . 12.6 tt0 -67.48 -30.89 70.7 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.75 -177.429 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . 0.518 ' O ' HG12 ' A' ' 81' ' ' ILE . . . -54.92 -44.46 74.24 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 109.994 -0.372 . . . . 0.0 109.994 174.945 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' MET . . . . . 0.673 ' O ' ' HG2' ' A' ' 82' ' ' LYS . 62.1 mtt -64.38 -40.61 96.16 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.36 178.654 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -63.73 -42.06 97.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.905 178.721 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . 0.479 HG13 ' O ' ' A' ' 76' ' ' GLU . 89.6 mt -62.44 -46.27 96.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.197 177.221 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . 0.518 HG12 ' O ' ' A' ' 77' ' ' ALA . 42.7 mm -61.16 -36.33 71.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.224 179.843 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . 0.673 ' HG2' ' O ' ' A' ' 78' ' ' MET . 46.8 mmtm -58.02 -49.87 75.37 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-O 121.113 0.482 . . . . 0.0 110.067 175.642 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 59.4 mttp -66.01 -41.66 90.72 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.505 -179.527 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . 0.465 ' O ' ' HG ' ' A' ' 88' ' ' LEU . 1.3 t80 -56.73 -51.46 68.76 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.569 -178.484 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -63.63 -34.31 77.54 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.376 -179.773 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . 0.409 ' HG3' ' O ' ' A' ' 82' ' ' LYS . 62.6 mttp -68.83 -42.91 76.53 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.656 -0.247 . . . . 0.0 111.269 178.76 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . 0.583 ' O ' ' HG2' ' A' ' 91' ' ' MET . 1.3 m-20 -64.44 -40.77 96.36 Favored 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 110.253 -0.277 . . . . 0.0 110.253 177.594 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.465 ' HG ' ' O ' ' A' ' 84' ' ' PHE . 93.1 mt -58.45 -43.82 88.96 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.973 0.416 . . . . 0.0 110.327 176.631 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . 0.493 ' O ' ' HG3' ' A' ' 93' ' ' ARG . . . -61.12 -44.54 97.18 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.661 -0.7 . . . . 0.0 110.881 179.552 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . 0.435 ' O ' HG13 ' A' ' 94' ' ' ILE . . . -62.37 -46.42 88.71 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.838 179.7 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' MET . . . . . 0.583 ' HG2' ' O ' ' A' ' 87' ' ' ASP . 23.6 mmt -62.81 -40.43 97.33 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.479 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 51.7 tp -59.82 -43.81 94.34 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.768 178.606 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . 0.493 ' HG3' ' O ' ' A' ' 89' ' ' ALA . 73.2 mtt180 -61.93 -34.38 75.99 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.987 -0.552 . . . . 0.0 110.43 178.37 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . 0.556 ' O ' ' HG2' ' A' ' 98' ' ' ARG . 79.9 mt -69.61 -43.94 79.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.855 177.913 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . 0.712 HD12 ' NE1' ' B' ' 69' ' ' TRP . 30.4 mm -56.84 -41.76 76.6 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.437 0 CA-C-O 121.504 0.669 . . . . 0.0 109.914 176.507 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' ASN . . . . . 0.495 ' HA ' ' HE2' ' B' ' 74' ' ' LYS . 7.2 t30 -65.29 -36.75 85.04 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 114.946 -1.024 . . . . 0.0 110.628 178.719 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -75.24 -24.64 57.69 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.775 -0.648 . . . . 0.0 111.293 -179.262 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . 0.584 ' HA ' ' NE ' ' A' ' 98' ' ' ARG . 2.8 mmp_? -71.53 -7.66 49.02 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 112.077 0.399 . . . . 0.0 112.077 -174.923 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . 0.415 ' HG3' ' HG2' ' A' ' 100' ' ' GLU . 23.4 tptm -82.62 -75.34 0.31 Allowed 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 109.687 -0.486 . . . . 0.0 109.687 174.108 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . 0.415 ' HG2' ' HG3' ' A' ' 99' ' ' LYS . 12.0 pt-20 -166.83 15.31 0.03 OUTLIER 'General case' 0 C--O 1.234 0.239 0 CA-C-O 120.656 0.265 . . . . 0.0 111.692 178.101 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 23.1 tptm -77.11 -61.28 2.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.725 0.297 . . . . 0.0 110.275 -177.855 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -122.19 132.37 54.41 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.158 0.504 . . . . 0.0 110.171 178.636 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 94.8 mtt180 -86.1 160.94 19.12 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.598 -175.83 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 12.1 ptm180 . . . . . 0 C--O 1.248 0.977 0 CA-C-O 118.483 -0.77 . . . . 0.0 110.608 -177.492 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.007 0 CA-C-O 121.054 0.454 . . . . 0.0 110.717 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 36' ' ' GLY . . . . . . . . . . . . . . . -59.69 -27.99 64.78 Favored Glycine 0 C--O 1.225 -0.431 0 CA-C-N 115.935 -0.575 . . . . 0.0 112.902 -177.323 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 27.6 tp -65.68 -23.89 66.88 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.148 0.499 . . . . 0.0 110.705 -179.521 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 83.2 mt -90.64 -36.64 14.27 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.603 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -78.11 -30.85 49.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.472 179.611 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . 116.87 -1.84 19.71 Favored Glycine 0 N--CA 1.448 -0.554 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.147 -178.82 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 41' ' ' HIS . . . . . . . . . . . . . 12.0 p-80 54.76 130.8 0.0 OUTLIER 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 125.322 1.449 . . . . 0.0 113.818 178.329 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 42' ' ' GLY . . . . . 0.421 ' H ' ' HD2' ' B' ' 43' ' ' PRO . . . -177.3 -43.29 0.06 OUTLIER Glycine 0 CA--C 1.524 0.61 0 CA-C-O 119.06 -0.855 . . . . 0.0 113.651 -173.106 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 43' ' ' PRO . . . . . 0.421 ' HD2' ' H ' ' B' ' 42' ' ' GLY . 92.7 Cg_exo -47.74 157.43 0.97 Allowed 'Trans proline' 0 C--N 1.356 0.925 0 C-N-CA 122.816 2.344 . . . . 0.0 112.894 174.275 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . 0.468 HD11 ' OE1' ' B' ' 76' ' ' GLU . 44.3 pt -54.72 -29.24 20.78 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.451 0 CA-C-N 115.159 -0.928 . . . . 0.0 113.139 -167.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 59.8 mtp180 -59.59 -48.67 80.74 Favored 'General case' 0 C--O 1.236 0.37 0 CA-C-O 121.406 0.622 . . . . 0.0 110.151 176.324 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 46' ' ' MET . . . . . 0.614 ' O ' HG13 ' B' ' 50' ' ' ILE . 2.0 mpt? -69.58 -31.38 69.5 Favored 'General case' 0 C--O 1.218 -0.586 0 CA-C-N 115.35 -0.841 . . . . 0.0 110.435 179.859 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 47' ' ' VAL . . . . . . . . . . . . . 59.8 t -59.19 -46.18 92.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-O 120.712 0.291 . . . . 0.0 110.875 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 11.1 mp -67.96 -36.29 79.82 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.804 178.266 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -65.88 -47.35 75.13 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.221 177.398 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 50' ' ' ILE . . . . . 0.614 HG13 ' O ' ' B' ' 46' ' ' MET . 61.9 mt -66.5 -33.05 60.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.126 -0.488 . . . . 0.0 109.988 178.761 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 51' ' ' LEU . . . . . 0.643 ' O ' ' HG2' ' B' ' 55' ' ' ARG . 10.3 tp -57.68 -55.83 29.82 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.041 -0.527 . . . . 0.0 109.845 174.761 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -55.76 -42.59 75.7 Favored 'General case' 0 C--O 1.232 0.182 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.485 178.833 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 53' ' ' PHE . . . . . . . . . . . . . 72.2 t80 -53.25 -56.24 18.12 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.564 -0.744 . . . . 0.0 110.056 174.148 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 54' ' ' LEU . . . . . . . . . . . . . 95.6 mt -73.11 -3.27 25.35 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 112.451 0.537 . . . . 0.0 112.451 -176.855 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 55' ' ' ARG . . . . . 0.643 ' HG2' ' O ' ' B' ' 51' ' ' LEU . 37.0 mmt180 -95.93 -36.12 11.2 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.802 0.334 . . . . 0.0 110.957 175.363 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 56' ' ' PHE . . . . . . . . . . . . . 86.1 m-85 -104.06 -13.84 16.13 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 111.943 0.349 . . . . 0.0 111.943 -175.709 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 57' ' ' THR . . . . . . . . . . . . . 16.9 p -109.58 -6.05 15.5 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.094 0.473 . . . . 0.0 110.074 175.845 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -147.56 -176.69 5.35 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.539 -0.755 . . . . 0.0 109.422 -178.131 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 59' ' ' ILE . . . . . . . . . . . . . 46.8 mm -119.06 -21.58 4.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-O 121.862 0.839 . . . . 0.0 110.885 179.661 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 53.9 tptt -137.05 108.68 8.96 Favored Pre-proline 0 C--N 1.306 -1.303 0 CA-C-N 115.056 -0.974 . . . . 0.0 110.797 -178.515 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 61' ' ' PRO . . . . . . . . . . . . . 16.6 Cg_exo -68.58 147.74 70.98 Favored 'Trans proline' 0 N--CA 1.463 -0.297 0 C-N-CA 122.85 2.366 . . . . 0.0 111.803 175.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 6.6 m -65.9 141.79 58.12 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.465 179.725 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 95.7 mt -63.34 -18.91 64.15 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.519 -0.764 . . . . 0.0 112.236 -173.548 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -63.31 -48.48 78.63 Favored Glycine 0 C--O 1.237 0.326 0 C-N-CA 120.537 -0.839 . . . . 0.0 111.442 174.281 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -65.37 -40.42 93.51 Favored 'General case' 0 C--O 1.222 -0.347 0 N-CA-C 109.928 -0.397 . . . . 0.0 109.928 177.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 66' ' ' ILE . . . . . . . . . . . . . 49.5 mm -64.11 -37.47 79.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.9 179.391 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 67' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 -61.57 -42.97 99.62 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.71 178.748 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 68' ' ' ARG . . . . . . . . . . . . . 34.2 ttm180 -83.58 -22.42 32.33 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.453 -178.836 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 69' ' ' TRP . . . . . 0.712 ' NE1' HD12 ' A' ' 95' ' ' ILE . 17.8 t90 -56.17 -51.78 66.74 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.488 -0.778 . . . . 0.0 110.631 178.19 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . -75.53 0.07 61.55 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.897 -0.668 . . . . 0.0 112.436 179.263 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 71' ' ' SER . . . . . . . . . . . . . 28.0 t -100.7 -16.09 17.49 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 110.247 -0.279 . . . . 0.0 110.247 179.132 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 72' ' ' VAL . . . . . . . . . . . . . 61.5 t -61.15 133.33 26.9 Favored 'Isoleucine or valine' 0 C--O 1.235 0.297 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.586 177.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 73' ' ' GLY . . . . . . . . . . . . . . . -62.21 119.55 18.34 Favored Glycine 0 N--CA 1.444 -0.824 0 N-CA-C 111.404 -0.678 . . . . 0.0 111.404 177.112 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 74' ' ' LYS . . . . . 0.495 ' HE2' ' HA ' ' A' ' 96' ' ' ASN . 10.9 ptmm? -58.28 -25.14 61.45 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 112.216 0.45 . . . . 0.0 112.216 -175.531 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 75' ' ' LYS . . . . . . . . . . . . . 50.9 tptt -69.7 -57.6 4.94 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.187 0.517 . . . . 0.0 110.314 175.181 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 76' ' ' GLU . . . . . 0.484 ' O ' HG13 ' B' ' 80' ' ' ILE . 13.3 tt0 -67.69 -30.53 70.07 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.723 -0.671 . . . . 0.0 110.754 -177.202 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 77' ' ' ALA . . . . . 0.506 ' O ' HG12 ' B' ' 81' ' ' ILE . . . -54.98 -44.78 74.74 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.88 0.372 . . . . 0.0 110.0 174.687 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 78' ' ' MET . . . . . 0.664 ' O ' ' HG2' ' B' ' 82' ' ' LYS . 62.5 mtt -64.05 -40.77 97.02 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.33 178.583 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 79' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -63.79 -41.79 97.87 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.953 178.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 80' ' ' ILE . . . . . 0.484 HG13 ' O ' ' B' ' 76' ' ' GLU . 89.9 mt -62.64 -45.97 97.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.22 177.259 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 81' ' ' ILE . . . . . 0.506 HG12 ' O ' ' B' ' 77' ' ' ALA . 42.3 mm -61.44 -36.36 72.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 115.907 -0.588 . . . . 0.0 111.145 179.894 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 82' ' ' LYS . . . . . 0.664 ' HG2' ' O ' ' B' ' 78' ' ' MET . 46.7 mmtm -57.92 -49.91 75.15 Favored 'General case' 0 C--O 1.232 0.152 0 CA-C-O 121.095 0.474 . . . . 0.0 110.101 175.567 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 83' ' ' LYS . . . . . . . . . . . . . 59.4 mttp -66.12 -41.44 90.51 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.551 -0.75 . . . . 0.0 110.628 -179.516 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 84' ' ' PHE . . . . . 0.468 ' O ' ' HG ' ' B' ' 88' ' ' LEU . 1.3 t80 -56.93 -51.37 69.42 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.582 -178.656 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 85' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -63.66 -34.45 77.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.291 -179.748 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 86' ' ' LYS . . . . . 0.405 ' HG3' ' O ' ' B' ' 82' ' ' LYS . 62.5 mttp -68.78 -43.0 76.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.565 -0.289 . . . . 0.0 111.303 178.902 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 87' ' ' ASP . . . . . 0.581 ' O ' ' HG2' ' B' ' 91' ' ' MET . 1.2 m-20 -64.26 -40.76 96.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.597 0.237 . . . . 0.0 110.452 177.436 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 88' ' ' LEU . . . . . 0.468 ' HG ' ' O ' ' B' ' 84' ' ' PHE . 92.9 mt -58.36 -43.81 88.54 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 121.004 0.43 . . . . 0.0 110.302 176.557 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 89' ' ' ALA . . . . . 0.488 ' O ' ' HG3' ' B' ' 93' ' ' ARG . . . -61.13 -44.84 96.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.907 179.58 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 90' ' ' ALA . . . . . 0.445 ' O ' HG13 ' B' ' 94' ' ' ILE . . . -62.11 -46.32 89.59 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.912 179.611 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 91' ' ' MET . . . . . 0.581 ' HG2' ' O ' ' B' ' 87' ' ' ASP . 23.6 mmt -62.83 -40.43 97.41 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.496 179.894 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 92' ' ' LEU . . . . . . . . . . . . . 51.7 tp -59.83 -43.72 94.44 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.803 178.496 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 93' ' ' ARG . . . . . 0.488 ' HG3' ' O ' ' B' ' 89' ' ' ALA . 73.3 mtt180 -62.1 -34.08 75.65 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.481 178.436 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 94' ' ' ILE . . . . . 0.554 ' O ' ' HG2' ' B' ' 98' ' ' ARG . 80.2 mt -69.96 -43.76 79.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.863 177.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 95' ' ' ILE . . . . . 0.714 HD12 ' NE1' ' A' ' 69' ' ' TRP . 30.4 mm -57.01 -41.64 77.76 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.412 0 CA-C-O 121.443 0.639 . . . . 0.0 109.875 176.478 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 96' ' ' ASN . . . . . 0.503 ' HA ' ' HE2' ' A' ' 74' ' ' LYS . 7.6 t30 -65.27 -36.95 85.7 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 114.967 -1.015 . . . . 0.0 110.529 178.736 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 97' ' ' ALA . . . . . . . . . . . . . . . -75.21 -24.46 57.76 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.815 -0.629 . . . . 0.0 111.418 -179.177 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 98' ' ' ARG . . . . . 0.581 ' NE ' ' HA ' ' B' ' 98' ' ' ARG . 2.8 mmp_? -71.73 -7.16 46.39 Favored 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 112.168 0.433 . . . . 0.0 112.168 -175.014 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 99' ' ' LYS . . . . . 0.42 ' HG3' ' HG2' ' B' ' 100' ' ' GLU . 23.4 tptm -83.11 -75.35 0.32 Allowed 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 109.7 -0.481 . . . . 0.0 109.7 174.011 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 100' ' ' GLU . . . . . 0.42 ' HG2' ' HG3' ' B' ' 99' ' ' LYS . 11.9 pt-20 -166.61 15.5 0.03 OUTLIER 'General case' 0 C--O 1.234 0.288 0 N-CA-C 111.728 0.27 . . . . 0.0 111.728 177.784 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 101' ' ' LYS . . . . . . . . . . . . . 23.1 tptm -77.07 -61.26 2.04 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.968 0.413 . . . . 0.0 110.324 -177.887 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 102' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -122.55 132.04 54.12 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.157 0.503 . . . . 0.0 110.258 178.85 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 103' ' ' ARG . . . . . . . . . . . . . 94.4 mtt180 -85.84 161.39 19.12 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 115.615 -0.721 . . . . 0.0 110.423 -175.36 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 104' ' ' ARG . . . . . . . . . . . . . 12.1 ptm180 . . . . . 0 C--O 1.249 1.053 0 CA-C-O 118.451 -0.785 . . . . 0.0 110.574 -177.026 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 0.987 0 N-CA-C 110.611 -0.144 . . . . 0.0 110.611 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -60.58 -27.36 65.99 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.796 -0.716 . . . . 0.0 113.411 -176.848 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 7.8 mp -57.98 -40.59 81.05 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.721 0.296 . . . . 0.0 111.312 -178.371 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 94.3 mt -90.63 -30.8 16.95 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.669 0.271 . . . . 0.0 111.24 -178.64 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -87.44 0.99 54.69 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.776 0.322 . . . . 0.0 111.602 -177.531 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 68.65 34.86 79.32 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 121.185 -0.531 . . . . 0.0 112.298 177.85 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 33.1 m170 -119.18 109.23 15.62 Favored 'General case' 0 C--N 1.322 -0.587 0 N-CA-C 110.181 -0.303 . . . . 0.0 110.181 -177.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -107.39 116.76 5.03 Favored Glycine 0 N--CA 1.444 -0.769 0 C-N-CA 120.559 -0.829 . . . . 0.0 112.23 -179.624 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.448 ' HD2' ' SD ' ' A' ' 46' ' ' MET . 32.5 Cg_exo -59.91 170.36 3.78 Favored 'Trans proline' 0 C--N 1.344 0.341 0 C-N-CA 122.925 2.417 . . . . 0.0 111.467 173.75 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 20.7 pt -49.49 -41.44 15.69 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.511 0 N-CA-C 113.075 0.768 . . . . 0.0 113.075 -172.069 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 97.9 mtt180 -62.26 -42.77 99.63 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 121.193 0.521 . . . . 0.0 110.765 178.375 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' MET . . . . . 0.568 ' O ' HG13 ' A' ' 50' ' ' ILE . 61.6 mtt -76.88 -20.85 55.78 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.012 179.375 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.439 HG23 ' O ' ' A' ' 43' ' ' PRO . 80.0 t -60.01 -48.76 86.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 N-CA-C 109.644 -0.502 . . . . 0.0 109.644 173.531 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 11.0 mp -65.59 -35.81 81.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.632 176.345 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -62.27 -50.77 70.37 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.86 0.362 . . . . 0.0 111.17 177.149 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.568 HG13 ' O ' ' A' ' 46' ' ' MET . 61.5 mt -66.51 -33.16 61.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-O 121.181 0.515 . . . . 0.0 110.151 178.388 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.539 ' O ' ' HG2' ' A' ' 55' ' ' ARG . 10.3 tp -61.9 -52.99 61.84 Favored 'General case' 0 N--CA 1.45 -0.427 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.188 178.678 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -56.41 -40.37 74.59 Favored 'General case' 0 CA--C 1.517 -0.318 0 O-C-N 123.298 0.374 . . . . 0.0 110.761 179.086 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 0.482 ' HB3' ' O ' ' A' ' 50' ' ' ILE . 55.2 t80 -50.69 -59.57 3.94 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.522 -0.763 . . . . 0.0 109.447 173.359 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.5 HD11 ' H ' ' A' ' 62' ' ' SER . 85.1 mt -65.86 -23.87 66.75 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.002 -0.545 . . . . 0.0 112.03 -178.04 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.539 ' HG2' ' O ' ' A' ' 51' ' ' LEU . 27.3 mmm180 -70.07 -38.39 75.73 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.971 0.415 . . . . 0.0 111.423 179.265 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . 0.457 ' CZ ' ' HA ' ' B' ' 84' ' ' PHE . 65.7 m-85 -107.26 -7.66 16.67 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.171 -0.468 . . . . 0.0 112.125 -175.251 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 74.2 p -102.49 -21.06 14.28 Favored 'General case' 0 C--N 1.326 -0.43 0 C-N-CA 120.335 -0.546 . . . . 0.0 110.972 173.888 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -138.3 174.9 10.07 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 116.26 -0.427 . . . . 0.0 109.894 -178.508 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 11.0 tp -106.04 6.76 10.01 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-O 121.779 0.8 . . . . 0.0 110.219 179.326 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 85.4 tttt -155.58 116.2 2.29 Favored Pre-proline 0 C--N 1.323 -0.586 0 CA-C-N 115.163 -0.926 . . . . 0.0 110.905 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 8.0 Cg_exo -72.69 143.31 37.41 Favored 'Trans proline' 0 N--CA 1.46 -0.471 0 C-N-CA 122.682 2.255 . . . . 0.0 111.014 171.87 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' SER . . . . . 0.5 ' H ' HD11 ' A' ' 54' ' ' LEU . 4.7 m -64.45 141.31 58.82 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.125 0.488 . . . . 0.0 110.873 -178.05 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 88.2 mt -60.52 -26.67 67.04 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.142 -0.936 . . . . 0.0 112.227 -172.401 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -62.75 -47.89 85.5 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.831 -0.7 . . . . 0.0 111.627 176.531 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -63.13 -42.79 99.57 Favored 'General case' 0 C--O 1.221 -0.423 0 N-CA-C 110.013 -0.366 . . . . 0.0 110.013 177.333 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 37.3 mm -58.41 -41.88 82.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 121.144 0.497 . . . . 0.0 111.132 178.904 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 28.1 t-20 -63.9 -40.27 96.12 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.09 -179.043 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 64.6 ttt180 -83.08 -23.14 33.24 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.237 0.541 . . . . 0.0 110.296 -178.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' TRP . . . . . 0.617 ' NE1' HD13 ' B' ' 95' ' ' ILE . 25.1 t90 -60.83 -47.07 88.02 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.26 -0.882 . . . . 0.0 110.522 178.121 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -72.12 -6.17 63.95 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.879 -0.677 . . . . 0.0 112.344 176.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 40.1 t -95.09 -10.66 30.06 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.794 0.33 . . . . 0.0 110.121 178.707 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 77.0 t -69.84 130.71 34.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.432 179.062 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -64.72 127.79 34.23 Favored Glycine 0 N--CA 1.448 -0.527 0 N-CA-C 110.551 -1.019 . . . . 0.0 110.551 174.136 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.457 ' O ' ' HG3' ' A' ' 78' ' ' MET . 6.9 ptpp? -68.4 -20.85 64.7 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 117.062 0.431 . . . . 0.0 111.154 -172.189 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 56.8 tptt -64.09 -49.99 70.07 Favored 'General case' 0 C--O 1.236 0.373 0 N-CA-C 109.471 -0.566 . . . . 0.0 109.471 173.421 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . 0.498 ' O ' HG13 ' A' ' 80' ' ' ILE . 22.5 tp10 -62.91 -44.08 97.05 Favored 'General case' 0 N--CA 1.453 -0.324 0 CA-C-N 115.55 -0.75 . . . . 0.0 109.537 176.852 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . 0.504 ' O ' HG12 ' A' ' 81' ' ' ILE . . . -53.9 -46.04 71.28 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.793 -0.639 . . . . 0.0 111.096 178.708 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' MET . . . . . 0.457 ' HG3' ' O ' ' A' ' 74' ' ' LYS . 66.5 mtt -59.34 -41.88 90.21 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.799 178.367 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -68.77 -37.05 79.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.753 179.566 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . 0.498 HG13 ' O ' ' A' ' 76' ' ' GLU . 86.6 mt -64.34 -51.43 68.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.516 177.189 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . 0.504 HG12 ' O ' ' A' ' 77' ' ' ALA . 49.2 mm -59.42 -38.08 73.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.661 -179.76 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 62.5 tttp -59.58 -49.33 78.2 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.379 177.167 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 62.2 mttp -68.49 -36.3 78.73 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.934 179.493 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . 0.519 ' O ' ' HG ' ' A' ' 88' ' ' LEU . 0.3 OUTLIER -61.26 -53.66 54.03 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.394 -179.469 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . 0.401 ' HZ2' ' HB2' ' B' ' 89' ' ' ALA . 96.7 mttt -62.84 -33.78 75.97 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.977 -179.913 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 56.2 tttp -66.0 -45.27 82.18 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.483 178.144 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -66.49 -37.38 84.96 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.121 -178.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.519 ' HG ' ' O ' ' A' ' 84' ' ' PHE . 96.7 mt -64.63 -37.33 87.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.945 178.094 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . 0.419 ' HB2' ' HZ2' ' B' ' 85' ' ' LYS . . . -63.43 -44.31 94.94 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.952 0.406 . . . . 0.0 110.457 178.034 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . 0.502 ' O ' HG13 ' A' ' 94' ' ' ILE . . . -64.94 -43.23 93.4 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.135 176.505 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' MET . . . . . 0.483 ' O ' HG12 ' A' ' 95' ' ' ILE . 41.7 ttm -54.04 -48.44 70.54 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.257 -0.883 . . . . 0.0 110.53 178.163 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.419 ' HB2' HG13 ' B' ' 81' ' ' ILE . 50.1 tp -59.67 -44.1 93.72 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.38 -0.827 . . . . 0.0 111.281 179.694 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 83.9 mtp180 -61.5 -35.18 76.97 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.147 -179.048 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . 0.564 ' O ' ' HG2' ' A' ' 98' ' ' ARG . 48.2 mt -75.9 -33.09 24.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 116.471 -0.331 . . . . 0.0 111.043 -179.308 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . 0.61 HD13 ' NE1' ' B' ' 69' ' ' TRP . 13.6 mm -56.14 -44.4 78.83 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.317 0 CA-C-O 121.482 0.658 . . . . 0.0 109.295 173.788 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 28.3 t30 -63.18 -44.32 95.74 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 114.94 -1.027 . . . . 0.0 110.414 175.853 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -62.76 -24.78 67.88 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.969 -176.888 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . 0.564 ' HG2' ' O ' ' A' ' 94' ' ' ILE . 17.1 mmt180 -67.56 -20.07 65.35 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.495 -0.321 . . . . 0.0 111.143 -179.262 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 49.9 mmtm -112.51 -46.05 3.19 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.243 0.544 . . . . 0.0 110.009 174.137 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 5.7 tp10 64.22 9.83 5.09 Favored 'General case' 0 CA--C 1.532 0.28 0 CA-C-N 114.797 -1.092 . . . . 0.0 110.436 -178.723 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 75.7 mmtt -135.44 179.79 6.11 Favored 'General case' 0 N--CA 1.452 -0.353 0 CA-C-N 115.587 -0.733 . . . . 0.0 109.91 -179.63 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 64.8 mttp 63.84 110.29 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.234 0 O-C-N 124.02 0.825 . . . . 0.0 110.792 -176.414 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 22.2 mmt180 -59.64 104.68 0.3 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.673 -0.694 . . . . 0.0 111.23 -177.127 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 65.8 mtp180 . . . . . 0 C--O 1.25 1.129 0 CA-C-N 115.681 -0.691 . . . . 0.0 110.817 -179.725 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 0.899 0 N-CA-C 110.534 -0.172 . . . . 0.0 110.534 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 36' ' ' GLY . . . . . . . . . . . . . . . -61.4 -26.89 66.91 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.694 -0.765 . . . . 0.0 113.358 -176.787 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 7.8 mp -58.19 -40.11 80.67 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.711 0.291 . . . . 0.0 111.331 -178.444 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 94.8 mt -90.5 -31.72 16.65 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.751 0.31 . . . . 0.0 111.283 -178.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -86.72 0.84 53.89 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.759 0.314 . . . . 0.0 111.609 -177.309 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . 68.69 34.85 79.1 Favored Glycine 0 N--CA 1.453 -0.183 0 C-N-CA 121.173 -0.537 . . . . 0.0 112.375 177.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 41' ' ' HIS . . . . . . . . . . . . . 32.8 m170 -119.15 109.79 16.3 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 110.137 -0.32 . . . . 0.0 110.137 -177.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 42' ' ' GLY . . . . . . . . . . . . . . . -108.2 116.33 4.74 Favored Glycine 0 N--CA 1.443 -0.847 0 C-N-CA 120.581 -0.819 . . . . 0.0 112.144 -179.401 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 43' ' ' PRO . . . . . 0.447 ' HD2' ' SD ' ' B' ' 46' ' ' MET . 32.6 Cg_exo -59.88 170.42 3.69 Favored 'Trans proline' 0 C--N 1.344 0.329 0 C-N-CA 122.803 2.335 . . . . 0.0 111.517 173.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 20.7 pt -49.29 -41.44 14.81 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.575 0 N-CA-C 113.181 0.808 . . . . 0.0 113.181 -172.112 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 98.1 mtt180 -62.48 -42.65 99.64 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 121.218 0.532 . . . . 0.0 110.684 178.524 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 46' ' ' MET . . . . . 0.566 ' O ' HG13 ' B' ' 50' ' ' ILE . 62.1 mtt -76.97 -20.94 55.49 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.907 -0.588 . . . . 0.0 111.011 179.396 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 47' ' ' VAL . . . . . 0.44 HG23 ' O ' ' B' ' 43' ' ' PRO . 77.8 t -59.9 -48.68 86.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 N-CA-C 109.685 -0.487 . . . . 0.0 109.685 173.527 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 11.0 mp -65.64 -35.81 81.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.676 176.225 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -62.26 -50.74 70.52 Favored 'General case' 0 CA--C 1.532 0.252 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.247 177.043 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 50' ' ' ILE . . . . . 0.566 HG13 ' O ' ' B' ' 46' ' ' MET . 61.5 mt -66.6 -33.26 62.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 121.123 0.487 . . . . 0.0 110.13 178.362 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 51' ' ' LEU . . . . . 0.543 ' O ' ' HG2' ' B' ' 55' ' ' ARG . 10.4 tp -61.68 -53.15 60.04 Favored 'General case' 0 N--CA 1.451 -0.412 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.186 178.53 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -56.46 -40.22 74.47 Favored 'General case' 0 N--CA 1.465 0.316 0 O-C-N 123.318 0.386 . . . . 0.0 110.753 179.151 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 53' ' ' PHE . . . . . 0.48 ' HB3' ' O ' ' B' ' 50' ' ' ILE . 55.7 t80 -50.85 -59.57 3.98 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.562 -0.744 . . . . 0.0 109.476 173.349 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 54' ' ' LEU . . . . . 0.485 HD11 ' H ' ' B' ' 62' ' ' SER . 84.9 mt -65.8 -23.87 66.8 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.029 -0.532 . . . . 0.0 112.059 -178.179 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 55' ' ' ARG . . . . . 0.543 ' HG2' ' O ' ' B' ' 51' ' ' LEU . 27.3 mmm180 -69.86 -38.76 76.55 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.886 0.374 . . . . 0.0 111.31 179.276 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 56' ' ' PHE . . . . . 0.449 ' CZ ' ' HA ' ' A' ' 84' ' ' PHE . 65.2 m-85 -107.05 -7.95 16.72 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 116.278 -0.419 . . . . 0.0 112.093 -175.088 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 57' ' ' THR . . . . . . . . . . . . . 74.1 p -102.21 -20.64 14.6 Favored 'General case' 0 C--N 1.327 -0.378 0 C-N-CA 120.285 -0.566 . . . . 0.0 111.037 173.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -138.75 174.82 10.12 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.052 -178.655 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 59' ' ' ILE . . . . . . . . . . . . . 10.9 tp -106.09 7.2 9.93 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-O 121.941 0.877 . . . . 0.0 110.328 179.332 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 85.6 tttt -155.92 116.43 2.23 Favored Pre-proline 0 C--N 1.321 -0.659 0 CA-C-N 115.024 -0.989 . . . . 0.0 110.939 179.667 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 61' ' ' PRO . . . . . . . . . . . . . 7.9 Cg_exo -72.97 143.2 36.05 Favored 'Trans proline' 0 N--CA 1.458 -0.563 0 C-N-CA 122.647 2.232 . . . . 0.0 110.977 171.73 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 62' ' ' SER . . . . . 0.485 ' H ' HD11 ' B' ' 54' ' ' LEU . 4.9 m -64.45 141.49 58.75 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.165 0.507 . . . . 0.0 110.881 -177.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 88.3 mt -60.53 -26.94 67.26 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.158 -0.928 . . . . 0.0 112.246 -172.458 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -62.39 -48.1 84.72 Favored Glycine 0 C--O 1.237 0.318 0 C-N-CA 120.644 -0.788 . . . . 0.0 111.696 176.451 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -62.89 -43.11 99.69 Favored 'General case' 0 C--O 1.22 -0.486 0 N-CA-C 109.961 -0.385 . . . . 0.0 109.961 177.401 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 66' ' ' ILE . . . . . . . . . . . . . 37.4 mm -58.15 -41.79 81.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.167 178.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 67' ' ' ASN . . . . . . . . . . . . . 28.3 t-20 -64.06 -39.81 94.9 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.176 -178.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 68' ' ' ARG . . . . . . . . . . . . . 64.3 ttt180 -83.52 -23.2 32.19 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.223 0.535 . . . . 0.0 110.287 -179.095 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 69' ' ' TRP . . . . . 0.61 ' NE1' HD13 ' A' ' 95' ' ' ILE . 25.1 t90 -60.74 -47.18 87.44 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.276 -0.875 . . . . 0.0 110.579 178.162 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . -71.9 -6.33 63.49 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.938 -0.649 . . . . 0.0 112.32 176.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 71' ' ' SER . . . . . . . . . . . . . 38.1 t -94.95 -10.62 30.52 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.845 0.355 . . . . 0.0 110.108 178.708 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 72' ' ' VAL . . . . . . . . . . . . . 81.0 t -69.94 130.42 34.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.479 179.285 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 73' ' ' GLY . . . . . . . . . . . . . . . -64.33 127.48 34.91 Favored Glycine 0 N--CA 1.448 -0.56 0 N-CA-C 110.52 -1.032 . . . . 0.0 110.52 174.167 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 74' ' ' LYS . . . . . 0.466 ' O ' ' HG3' ' B' ' 78' ' ' MET . 7.0 ptpp? -68.25 -20.68 64.82 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 117.116 0.458 . . . . 0.0 111.253 -172.246 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 75' ' ' LYS . . . . . . . . . . . . . 56.6 tptt -64.42 -50.0 69.3 Favored 'General case' 0 C--O 1.235 0.297 0 N-CA-C 109.381 -0.6 . . . . 0.0 109.381 173.415 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 76' ' ' GLU . . . . . 0.496 ' O ' HG13 ' B' ' 80' ' ' ILE . 22.3 tp10 -62.76 -44.15 96.94 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.524 -0.762 . . . . 0.0 109.532 176.744 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 77' ' ' ALA . . . . . 0.493 ' O ' HG12 ' B' ' 81' ' ' ILE . . . -53.82 -46.06 71.01 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.867 -0.606 . . . . 0.0 111.144 178.646 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 78' ' ' MET . . . . . 0.466 ' HG3' ' O ' ' B' ' 74' ' ' LYS . 66.8 mtt -59.23 -42.15 90.35 Favored 'General case' 0 C--O 1.233 0.205 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.748 178.34 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 79' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -68.62 -37.05 79.43 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.769 179.645 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 80' ' ' ILE . . . . . 0.496 HG13 ' O ' ' B' ' 76' ' ' GLU . 86.4 mt -64.34 -51.47 67.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.627 177.088 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 81' ' ' ILE . . . . . 0.493 HG12 ' O ' ' B' ' 77' ' ' ALA . 49.3 mm -59.34 -38.18 73.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.751 -179.875 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 82' ' ' LYS . . . . . . . . . . . . . 62.3 tttp -59.44 -49.17 78.82 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.89 -0.596 . . . . 0.0 110.464 177.143 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 83' ' ' LYS . . . . . . . . . . . . . 61.9 mttp -68.66 -36.22 78.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.826 -0.624 . . . . 0.0 110.896 179.57 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 84' ' ' PHE . . . . . 0.521 ' O ' ' HG ' ' B' ' 88' ' ' LEU . 0.3 OUTLIER -61.43 -53.53 55.29 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.782 -0.644 . . . . 0.0 110.357 -179.526 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 85' ' ' LYS . . . . . 0.419 ' HZ2' ' HB2' ' A' ' 89' ' ' ALA . 96.7 mttt -63.17 -33.46 75.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.918 -179.852 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 86' ' ' LYS . . . . . . . . . . . . . 56.1 tttp -66.17 -45.23 81.61 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.532 178.102 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 87' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -66.45 -37.54 85.38 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.122 -179.07 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 88' ' ' LEU . . . . . 0.521 ' HG ' ' O ' ' B' ' 84' ' ' PHE . 96.8 mt -64.51 -37.45 87.59 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.979 178.044 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 89' ' ' ALA . . . . . 0.401 ' HB2' ' HZ2' ' A' ' 85' ' ' LYS . . . -63.18 -44.06 96.46 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.999 0.428 . . . . 0.0 110.442 178.057 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 90' ' ' ALA . . . . . 0.51 ' O ' HG13 ' B' ' 94' ' ' ILE . . . -65.31 -43.28 91.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.139 176.665 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 91' ' ' MET . . . . . 0.484 ' O ' HG12 ' B' ' 95' ' ' ILE . 41.6 ttm -54.01 -48.45 70.45 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.179 -0.919 . . . . 0.0 110.496 178.152 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 92' ' ' LEU . . . . . 0.424 ' HB2' HG13 ' A' ' 81' ' ' ILE . 50.7 tp -59.76 -44.07 94.03 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.418 -0.81 . . . . 0.0 111.261 179.75 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 93' ' ' ARG . . . . . . . . . . . . . 83.8 mtp180 -61.87 -34.41 75.96 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.24 -178.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 94' ' ' ILE . . . . . 0.572 ' O ' ' HG2' ' B' ' 98' ' ' ARG . 48.6 mt -76.56 -32.8 21.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-N 116.491 -0.322 . . . . 0.0 111.022 -179.538 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 95' ' ' ILE . . . . . 0.617 HD13 ' NE1' ' A' ' 69' ' ' TRP . 13.7 mm -56.28 -44.9 80.82 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.309 0 N-CA-C 109.201 -0.666 . . . . 0.0 109.201 173.652 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 96' ' ' ASN . . . . . 0.415 ' OD1' ' HE2' ' A' ' 74' ' ' LYS . 28.9 t30 -62.7 -44.65 95.69 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.013 -0.994 . . . . 0.0 110.324 175.885 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 97' ' ' ALA . . . . . . . . . . . . . . . -62.18 -25.14 67.6 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.093 -0.503 . . . . 0.0 112.052 -176.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 98' ' ' ARG . . . . . 0.572 ' HG2' ' O ' ' B' ' 94' ' ' ILE . 16.7 mmt180 -67.26 -20.34 65.64 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.776 0.322 . . . . 0.0 111.161 -179.125 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 99' ' ' LYS . . . . . . . . . . . . . 50.0 mmtm -112.19 -46.18 3.22 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.126 0.488 . . . . 0.0 110.018 174.316 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 100' ' ' GLU . . . . . . . . . . . . . 5.5 tp10 63.93 10.28 5.17 Favored 'General case' 0 CA--C 1.531 0.217 0 CA-C-N 114.811 -1.086 . . . . 0.0 110.47 -178.591 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 101' ' ' LYS . . . . . . . . . . . . . 75.7 mmtt -135.73 179.94 6.03 Favored 'General case' 0 C--O 1.236 0.38 0 CA-C-N 115.564 -0.744 . . . . 0.0 109.885 -179.877 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 102' ' ' LYS . . . . . . . . . . . . . 64.9 mttp 63.75 110.02 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.199 0 O-C-N 124.074 0.859 . . . . 0.0 110.939 -176.147 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 103' ' ' ARG . . . . . . . . . . . . . 22.3 mmt180 -58.97 104.47 0.24 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.789 -0.641 . . . . 0.0 111.188 -177.387 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 104' ' ' ARG . . . . . . . . . . . . . 66.4 mtp180 . . . . . 0 C--O 1.249 1.039 0 O-C-N 123.658 0.599 . . . . 0.0 110.781 179.684 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.054 0 CA-C-O 120.893 0.378 . . . . 0.0 110.6 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -66.03 -24.79 71.87 Favored Glycine 0 N--CA 1.449 -0.451 0 C-N-CA 120.93 -0.652 . . . . 0.0 112.361 -177.685 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 47.2 tp -69.27 -23.73 63.88 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 120.947 0.403 . . . . 0.0 110.837 179.357 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 81.9 mt -100.81 -37.56 8.64 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.341 -0.391 . . . . 0.0 111.464 -176.389 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -92.02 -22.97 19.68 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 111.869 0.322 . . . . 0.0 111.869 -176.557 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 89.94 -7.13 82.26 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.673 -0.775 . . . . 0.0 111.631 -176.127 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 51.4 t60 -99.03 101.77 13.26 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 109.785 -0.45 . . . . 0.0 109.785 179.457 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -87.8 124.34 7.08 Favored Glycine 0 N--CA 1.443 -0.835 0 C-N-CA 120.642 -0.79 . . . . 0.0 112.025 -178.689 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.461 ' O ' HG23 ' A' ' 47' ' ' VAL . 22.5 Cg_exo -65.0 171.72 8.37 Favored 'Trans proline' 0 N--CA 1.462 -0.338 0 C-N-CA 122.387 2.058 . . . . 0.0 111.429 174.912 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.421 ' HB ' HG13 ' A' ' 72' ' ' VAL . 24.6 pt -53.55 -33.0 21.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-O 120.991 0.424 . . . . 0.0 111.522 -177.197 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 19.8 mtp180 -59.59 -46.43 88.96 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.038 177.782 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 84.2 mtp -77.55 -22.41 51.07 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.084 -178.299 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.461 HG23 ' O ' ' A' ' 43' ' ' PRO . 96.8 t -63.9 -41.62 93.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 N-CA-C 110.013 -0.366 . . . . 0.0 110.013 175.734 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 68.5 mt -71.8 -34.04 69.04 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.302 175.214 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -61.65 -50.58 71.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.051 177.75 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 15.4 tt -72.87 -25.63 22.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.587 -179.438 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.481 ' O ' ' HG2' ' A' ' 55' ' ' ARG . 12.9 tp -60.07 -58.24 9.37 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.083 175.778 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . 0.443 ' O ' ' HD1' ' A' ' 56' ' ' PHE . . . -55.27 -42.95 74.24 Favored 'General case' 0 CA--C 1.516 -0.328 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.28 179.431 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 0.418 ' HB2' ' HB2' ' B' ' 53' ' ' PHE . 72.7 t80 -51.85 -59.65 4.07 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.273 175.248 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 95.1 mt -71.42 -6.68 42.11 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 112.505 0.557 . . . . 0.0 112.505 -175.545 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.481 ' HG2' ' O ' ' A' ' 51' ' ' LEU . 10.4 mmm180 -98.24 -32.37 11.6 Favored 'General case' 0 C--N 1.327 -0.406 0 O-C-N 122.225 -0.297 . . . . 0.0 111.564 178.491 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . 0.443 ' HD1' ' O ' ' A' ' 52' ' ' ALA . 85.2 m-85 -96.98 -5.88 36.79 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 120.778 0.323 . . . . 0.0 110.958 179.189 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 70.3 p -100.59 -33.03 10.47 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.821 172.427 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -149.24 -179.59 7.16 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.816 -176.292 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.422 HD13 ' N ' ' A' ' 59' ' ' ILE . 4.1 mp -111.5 123.97 67.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.03 -179.644 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 88.8 tttt 63.75 99.52 0.04 OUTLIER Pre-proline 0 N--CA 1.466 0.365 0 O-C-N 123.721 0.638 . . . . 0.0 111.012 -178.473 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 36.1 Cg_exo -61.03 -66.59 0.06 OUTLIER 'Trans proline' 0 C--N 1.345 0.375 0 C-N-CA 123.246 2.631 . . . . 0.0 112.524 -178.274 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' SER . . . . . 0.505 ' O ' HG12 ' A' ' 66' ' ' ILE . 61.8 p 178.98 151.27 0.31 Allowed 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 108.867 -0.79 . . . . 0.0 108.867 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 83.6 mt -67.92 -20.51 65.09 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.574 -0.285 . . . . 0.0 110.893 -178.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -72.59 -46.35 32.12 Favored Glycine 0 N--CA 1.448 -0.505 0 C-N-CA 121.05 -0.595 . . . . 0.0 112.018 176.654 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -67.03 -40.39 87.2 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.661 0.267 . . . . 0.0 110.487 178.145 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.505 HG12 ' O ' ' A' ' 62' ' ' SER . 49.5 mm -65.72 -32.18 57.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 121.136 0.493 . . . . 0.0 110.599 178.749 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 49.8 t-20 -63.28 -45.68 90.29 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.92 -0.582 . . . . 0.0 109.802 176.2 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 22.4 ttt-85 -77.09 -22.78 52.24 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.271 0.557 . . . . 0.0 109.716 -178.275 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' TRP . . . . . 0.59 ' NE1' HD12 ' B' ' 95' ' ' ILE . 24.6 t90 -59.36 -44.58 92.67 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.149 -0.932 . . . . 0.0 110.482 176.762 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -74.51 -3.99 68.37 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.464 178.492 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 32.5 t -92.28 -17.32 24.92 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.843 0.354 . . . . 0.0 110.281 179.097 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.421 HG13 ' HB ' ' A' ' 44' ' ' ILE . 98.8 t -60.51 132.0 25.64 Favored 'Isoleucine or valine' 0 C--O 1.234 0.266 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.122 178.366 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -61.29 116.2 9.0 Favored Glycine 0 N--CA 1.442 -0.949 0 N-CA-C 110.471 -1.052 . . . . 0.0 110.471 175.677 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.58 ' O ' ' HG3' ' A' ' 78' ' ' MET . 4.9 ptpp? -62.65 -24.02 67.4 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.677 0.238 . . . . 0.0 111.497 -173.681 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 42.7 tptt -65.83 -50.06 65.97 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 109.719 -0.474 . . . . 0.0 109.719 171.762 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . 0.451 ' O ' HG13 ' A' ' 80' ' ' ILE . 10.1 tp10 -63.4 -38.9 92.92 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.661 -0.699 . . . . 0.0 109.729 178.289 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -56.94 -43.45 81.54 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.7 177.67 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' MET . . . . . 0.58 ' HG3' ' O ' ' A' ' 74' ' ' LYS . 67.9 mtt -61.41 -40.62 95.08 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.428 177.782 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 67.9 mm-40 -67.25 -45.97 75.11 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.882 178.418 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . 0.499 ' O ' ' HB2' ' A' ' 84' ' ' PHE . 96.8 mt -60.63 -50.62 79.71 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.371 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.953 179.494 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 45.2 mm -62.79 -35.97 73.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-O 120.959 0.409 . . . . 0.0 110.93 -179.555 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 24.3 ttpp -62.59 -50.57 70.74 Favored 'General case' 0 C--O 1.238 0.457 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.933 178.504 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 18.8 ptpt -73.6 -25.44 60.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.52 -0.309 . . . . 0.0 110.546 179.474 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . 0.514 ' O ' ' HG ' ' A' ' 88' ' ' LEU . 1.8 t80 -62.46 -53.21 58.21 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.011 -0.54 . . . . 0.0 109.62 177.453 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -61.85 -35.54 78.57 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-N 115.716 -0.674 . . . . 0.0 110.606 178.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 26.4 ttpp -58.06 -51.26 70.44 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-N 115.861 -0.608 . . . . 0.0 110.789 176.539 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . 0.491 ' O ' ' HG3' ' A' ' 91' ' ' MET . 0.8 OUTLIER -70.01 -32.42 70.58 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.376 -178.691 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.514 ' HG ' ' O ' ' A' ' 84' ' ' PHE . 77.3 mt -61.22 -40.16 92.97 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.877 0.37 . . . . 0.0 110.404 175.729 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -62.58 -41.67 99.09 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.4 177.105 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . 0.599 ' O ' HG13 ' A' ' 94' ' ' ILE . . . -63.55 -47.63 80.81 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.546 176.252 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' MET . . . . . 0.541 ' O ' HG12 ' A' ' 95' ' ' ILE . 65.6 mtt -56.46 -51.0 70.07 Favored 'General case' 0 N--CA 1.463 0.199 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.663 179.251 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 7.7 tt -55.09 -45.53 75.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.594 177.635 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 1.5 ttp180 -60.2 -38.08 82.19 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.322 -0.854 . . . . 0.0 111.138 178.571 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . 0.599 HG13 ' O ' ' A' ' 90' ' ' ALA . 62.1 mt -74.82 -34.0 32.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 116.627 -0.261 . . . . 0.0 111.214 -179.667 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . 0.597 HD12 ' NE1' ' B' ' 69' ' ' TRP . 14.3 mm -54.91 -46.19 75.9 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.336 0 N-CA-C 109.268 -0.641 . . . . 0.0 109.268 175.109 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 93.0 m-20 -60.62 -42.78 97.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.341 -0.845 . . . . 0.0 110.606 175.118 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -70.18 -14.77 62.78 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.347 -0.388 . . . . 0.0 112.028 -176.073 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . 0.595 ' HG2' ' O ' ' A' ' 94' ' ' ILE . 12.4 mmm180 -67.79 -26.25 66.0 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.863 0.363 . . . . 0.0 110.925 178.355 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 14.7 mmmm -126.19 -31.08 2.86 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.901 0.381 . . . . 0.0 111.208 -177.764 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 66.22 24.33 10.75 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-N 115.205 -0.907 . . . . 0.0 113.157 174.216 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 38.2 ttmt -70.06 -54.31 13.66 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 109.603 -0.517 . . . . 0.0 109.603 173.066 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 12.6 mmmm 63.65 -173.31 0.16 Allowed 'General case' 0 C--O 1.235 0.312 0 CA-C-N 115.35 -0.841 . . . . 0.0 110.533 -178.606 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . 0.506 ' O ' ' HD2' ' A' ' 104' ' ' ARG . 14.0 mmm180 -114.73 -56.89 2.33 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 108.927 -0.768 . . . . 0.0 108.927 173.167 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . 0.506 ' HD2' ' O ' ' A' ' 103' ' ' ARG . 13.2 mmm180 . . . . . 0 C--O 1.245 0.824 0 CA-C-N 115.51 -0.768 . . . . 0.0 109.658 173.673 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 0.972 0 CA-C-O 120.798 0.332 . . . . 0.0 110.5 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 36' ' ' GLY . . . . . . . . . . . . . . . -65.94 -24.87 71.8 Favored Glycine 0 N--CA 1.45 -0.41 0 C-N-CA 120.948 -0.644 . . . . 0.0 112.401 -177.77 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 47.5 tp -69.17 -23.72 63.97 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 120.913 0.387 . . . . 0.0 110.881 179.42 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 82.2 mt -100.76 -37.62 8.64 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.432 -176.463 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -92.1 -22.69 19.76 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 111.849 0.314 . . . . 0.0 111.849 -176.487 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . 89.57 -6.82 82.9 Favored Glycine 0 N--CA 1.452 -0.242 0 C-N-CA 120.593 -0.813 . . . . 0.0 111.582 -176.461 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 41' ' ' HIS . . . . . . . . . . . . . 51.8 t60 -99.25 101.85 13.3 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 109.831 -0.433 . . . . 0.0 109.831 179.196 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 42' ' ' GLY . . . . . . . . . . . . . . . -88.1 124.17 7.04 Favored Glycine 0 N--CA 1.443 -0.834 0 C-N-CA 120.586 -0.816 . . . . 0.0 112.064 -178.522 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 43' ' ' PRO . . . . . 0.464 ' O ' HG23 ' B' ' 47' ' ' VAL . 22.5 Cg_exo -64.86 172.01 7.76 Favored 'Trans proline' 0 N--CA 1.462 -0.369 0 C-N-CA 122.44 2.094 . . . . 0.0 111.348 175.135 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . 0.431 ' HB ' HG13 ' B' ' 72' ' ' VAL . 24.1 pt -53.89 -33.04 23.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-O 120.888 0.375 . . . . 0.0 111.51 -177.198 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 19.9 mtp180 -59.43 -46.45 88.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.879 -0.6 . . . . 0.0 111.073 177.655 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 46' ' ' MET . . . . . . . . . . . . . 84.7 mtp -77.66 -22.23 50.93 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.127 -178.253 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 47' ' ' VAL . . . . . 0.464 HG23 ' O ' ' B' ' 43' ' ' PRO . 96.8 t -63.96 -41.68 93.28 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 N-CA-C 109.937 -0.394 . . . . 0.0 109.937 175.685 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 67.8 mt -71.86 -33.98 68.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.906 0.384 . . . . 0.0 110.341 175.205 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -61.6 -50.6 71.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.026 -0.533 . . . . 0.0 111.131 177.629 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 50' ' ' ILE . . . . . . . . . . . . . 15.5 tt -72.92 -25.7 22.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.558 -179.397 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 51' ' ' LEU . . . . . 0.486 ' O ' ' HG2' ' B' ' 55' ' ' ARG . 12.8 tp -59.99 -58.25 9.34 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.394 -0.367 . . . . 0.0 110.088 175.788 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 52' ' ' ALA . . . . . 0.438 ' O ' ' HD1' ' B' ' 56' ' ' PHE . . . -55.25 -42.86 74.03 Favored 'General case' 0 CA--C 1.517 -0.306 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.307 179.437 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 53' ' ' PHE . . . . . 0.418 ' HB2' ' HB2' ' A' ' 53' ' ' PHE . 72.3 t80 -52.03 -59.62 4.14 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.225 175.293 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 54' ' ' LEU . . . . . . . . . . . . . 95.1 mt -71.42 -6.54 41.05 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 112.519 0.563 . . . . 0.0 112.519 -175.547 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 55' ' ' ARG . . . . . 0.486 ' HG2' ' O ' ' B' ' 51' ' ' LEU . 10.4 mmm180 -98.48 -31.93 11.73 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.692 0.282 . . . . 0.0 111.621 178.411 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 56' ' ' PHE . . . . . 0.438 ' HD1' ' O ' ' B' ' 52' ' ' ALA . 84.8 m-85 -97.32 -5.75 35.88 Favored 'General case' 0 C--N 1.321 -0.667 0 C-N-CA 120.886 -0.326 . . . . 0.0 110.909 179.137 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 57' ' ' THR . . . . . . . . . . . . . 70.5 p -100.6 -33.06 10.46 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.868 172.581 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -149.39 -179.43 7.06 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.78 -176.204 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 59' ' ' ILE . . . . . 0.418 ' N ' HD13 ' B' ' 59' ' ' ILE . 4.1 mp -111.72 124.29 68.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 N-CA-C 109.895 -0.409 . . . . 0.0 109.895 -179.388 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 88.8 tttt 63.44 99.72 0.04 OUTLIER Pre-proline 0 N--CA 1.466 0.346 0 O-C-N 123.817 0.698 . . . . 0.0 110.856 -178.484 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 61' ' ' PRO . . . . . . . . . . . . . 36.4 Cg_exo -61.17 -67.42 0.05 OUTLIER 'Trans proline' 0 C--N 1.345 0.377 0 C-N-CA 123.226 2.617 . . . . 0.0 112.313 -178.564 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 62' ' ' SER . . . . . 0.504 ' O ' HG12 ' B' ' 66' ' ' ILE . 61.6 p 179.78 151.4 0.39 Allowed 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.792 -0.818 . . . . 0.0 108.792 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 82.7 mt -67.93 -20.97 65.13 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.658 -0.246 . . . . 0.0 110.834 -178.848 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -72.25 -46.35 34.89 Favored Glycine 0 N--CA 1.449 -0.462 0 C-N-CA 121.076 -0.583 . . . . 0.0 112.071 176.634 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -67.01 -40.33 87.26 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.544 0.211 . . . . 0.0 110.545 178.033 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 66' ' ' ILE . . . . . 0.504 HG12 ' O ' ' B' ' 62' ' ' SER . 49.4 mm -65.89 -31.96 56.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-O 121.123 0.487 . . . . 0.0 110.572 178.784 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 67' ' ' ASN . . . . . . . . . . . . . 49.3 t-20 -63.4 -45.62 90.22 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.995 -0.548 . . . . 0.0 109.857 176.031 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 68' ' ' ARG . . . . . . . . . . . . . 23.7 ttt-85 -77.15 -22.56 52.37 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.306 0.574 . . . . 0.0 109.763 -178.267 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 69' ' ' TRP . . . . . 0.597 ' NE1' HD12 ' A' ' 95' ' ' ILE . 24.7 t90 -59.55 -44.57 93.19 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.086 -0.961 . . . . 0.0 110.435 176.911 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . -74.34 -4.55 69.4 Favored Glycine 0 N--CA 1.45 -0.405 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.499 178.496 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 71' ' ' SER . . . . . . . . . . . . . 31.6 t -91.85 -17.44 25.28 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.885 0.374 . . . . 0.0 110.23 179.262 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 72' ' ' VAL . . . . . 0.431 HG13 ' HB ' ' B' ' 44' ' ' ILE . 98.7 t -60.4 132.07 25.54 Favored 'Isoleucine or valine' 0 C--O 1.234 0.27 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.112 178.354 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 73' ' ' GLY . . . . . . . . . . . . . . . -61.56 116.36 9.24 Favored Glycine 0 N--CA 1.441 -1.016 0 N-CA-C 110.346 -1.102 . . . . 0.0 110.346 175.841 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 74' ' ' LYS . . . . . 0.581 ' O ' ' HG3' ' B' ' 78' ' ' MET . 4.9 ptpp? -62.73 -23.86 67.39 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.746 0.273 . . . . 0.0 111.501 -173.567 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 75' ' ' LYS . . . . . . . . . . . . . 42.5 tptt -65.86 -50.16 65.53 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 109.709 -0.478 . . . . 0.0 109.709 171.823 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 76' ' ' GLU . . . . . 0.447 ' O ' HG13 ' B' ' 80' ' ' ILE . 9.5 tp10 -63.29 -38.83 92.69 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.689 -0.687 . . . . 0.0 109.74 178.241 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 77' ' ' ALA . . . . . . . . . . . . . . . -56.84 -43.58 81.26 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.719 177.582 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 78' ' ' MET . . . . . 0.581 ' HG3' ' O ' ' B' ' 74' ' ' LYS . 67.9 mtt -61.16 -40.88 95.52 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.49 177.865 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 79' ' ' GLU . . . . . . . . . . . . . 67.7 mm-40 -67.09 -45.9 75.88 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.924 178.419 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 80' ' ' ILE . . . . . 0.503 ' O ' ' HB2' ' B' ' 84' ' ' PHE . 96.9 mt -60.72 -50.61 79.78 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.334 0 CA-C-N 115.839 -0.618 . . . . 0.0 110.903 179.524 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 81' ' ' ILE . . . . . . . . . . . . . 45.3 mm -62.9 -35.97 73.55 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-O 120.874 0.368 . . . . 0.0 110.885 -179.606 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 82' ' ' LYS . . . . . . . . . . . . . 24.1 ttpp -62.48 -50.8 69.99 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.891 178.426 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 83' ' ' LYS . . . . . . . . . . . . . 18.8 ptpt -73.49 -25.21 60.35 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.801 0.334 . . . . 0.0 110.564 179.583 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 84' ' ' PHE . . . . . 0.514 ' O ' ' HG ' ' B' ' 88' ' ' LEU . 1.8 t80 -62.62 -53.21 57.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.044 -0.526 . . . . 0.0 109.588 177.432 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 85' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -61.88 -35.28 77.86 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.653 178.884 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 86' ' ' LYS . . . . . . . . . . . . . 26.4 ttpp -58.23 -51.65 68.87 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.653 176.428 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 87' ' ' ASP . . . . . 0.486 ' O ' ' HG3' ' B' ' 91' ' ' MET . 0.7 OUTLIER -69.55 -32.32 71.04 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.501 -178.548 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 88' ' ' LEU . . . . . 0.514 ' HG ' ' O ' ' B' ' 84' ' ' PHE . 78.2 mt -61.47 -40.0 92.96 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.896 0.379 . . . . 0.0 110.354 175.91 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -62.67 -41.82 99.29 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.335 177.058 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 90' ' ' ALA . . . . . 0.601 ' O ' HG13 ' B' ' 94' ' ' ILE . . . -63.39 -47.47 81.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.596 176.345 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 91' ' ' MET . . . . . 0.529 ' O ' HG12 ' B' ' 95' ' ' ILE . 65.6 mtt -56.49 -51.12 69.68 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.608 179.187 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 92' ' ' LEU . . . . . . . . . . . . . 7.7 tt -55.07 -45.54 75.35 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.625 177.659 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 93' ' ' ARG . . . . . 0.421 HH11 ' HD2' ' B' ' 93' ' ' ARG . 1.4 ttp180 -60.07 -38.27 82.37 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.297 -0.865 . . . . 0.0 111.173 178.515 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 94' ' ' ILE . . . . . 0.601 HG13 ' O ' ' B' ' 90' ' ' ALA . 62.6 mt -74.8 -33.97 32.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.638 -0.255 . . . . 0.0 111.172 -179.584 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 95' ' ' ILE . . . . . 0.59 HD12 ' NE1' ' A' ' 69' ' ' TRP . 14.1 mm -54.72 -46.35 73.86 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.301 0 N-CA-C 109.203 -0.665 . . . . 0.0 109.203 175.016 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 96' ' ' ASN . . . . . . . . . . . . . 92.6 m-20 -60.66 -42.53 97.22 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.339 -0.846 . . . . 0.0 110.725 175.364 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 97' ' ' ALA . . . . . . . . . . . . . . . -70.3 -14.78 62.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.33 -0.396 . . . . 0.0 111.981 -176.199 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 98' ' ' ARG . . . . . 0.596 ' HG2' ' O ' ' B' ' 94' ' ' ILE . 12.4 mmm180 -67.73 -26.27 66.06 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.789 0.328 . . . . 0.0 110.839 178.38 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 99' ' ' LYS . . . . . . . . . . . . . 14.6 mmmm -126.3 -31.02 2.84 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.04 0.448 . . . . 0.0 111.304 -177.799 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 100' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 66.3 24.16 10.65 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-N 115.217 -0.901 . . . . 0.0 113.089 174.046 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 101' ' ' LYS . . . . . . . . . . . . . 38.3 ttmt -69.67 -55.13 10.85 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 109.535 -0.543 . . . . 0.0 109.535 172.758 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 102' ' ' LYS . . . . . . . . . . . . . 12.6 mmmm 64.12 -173.02 0.17 Allowed 'General case' 0 C--O 1.235 0.298 0 CA-C-N 115.358 -0.837 . . . . 0.0 110.513 -178.292 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 103' ' ' ARG . . . . . 0.496 ' O ' ' HD2' ' B' ' 104' ' ' ARG . 14.2 mmm180 -114.96 -57.14 2.3 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 108.721 -0.844 . . . . 0.0 108.721 173.36 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 104' ' ' ARG . . . . . 0.496 ' HD2' ' O ' ' B' ' 103' ' ' ARG . 13.0 mmm180 . . . . . 0 C--O 1.245 0.84 0 CA-C-N 115.487 -0.779 . . . . 0.0 109.77 173.823 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.013 0 CA-C-O 120.995 0.426 . . . . 0.0 110.641 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -64.15 -30.46 77.84 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 121.102 -0.571 . . . . 0.0 113.303 -176.321 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -73.63 -16.06 61.24 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.7 0.286 . . . . 0.0 111.302 -178.326 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -105.28 -46.25 4.27 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.596 -0.274 . . . . 0.0 111.362 -178.098 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -90.45 -14.91 31.87 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 111.631 0.234 . . . . 0.0 111.631 -175.772 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 74.78 12.04 83.09 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.624 -0.798 . . . . 0.0 111.391 -175.791 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 35.0 m170 -127.98 99.91 5.69 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 109.573 -0.529 . . . . 0.0 109.573 -178.705 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -113.79 167.26 12.27 Favored Glycine 0 N--CA 1.445 -0.716 0 C-N-CA 120.397 -0.906 . . . . 0.0 112.492 -177.68 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.465 ' O ' HG22 ' A' ' 47' ' ' VAL . 22.8 Cg_exo -65.47 174.71 4.93 Favored 'Trans proline' 0 C--O 1.233 0.235 0 C-N-CA 122.964 2.443 . . . . 0.0 112.294 177.333 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 22.7 pt -53.9 -38.28 36.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 N-CA-C 112.642 0.608 . . . . 0.0 112.642 -173.301 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 19.0 mtp180 -62.5 -45.61 92.2 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-O 120.896 0.379 . . . . 0.0 110.719 179.446 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' MET . . . . . 0.553 ' O ' HG13 ' A' ' 50' ' ' ILE . 24.1 mtt -60.18 -36.25 77.21 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.836 176.2 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.465 HG22 ' O ' ' A' ' 43' ' ' PRO . 64.0 t -60.36 -45.93 95.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.454 -0.339 . . . . 0.0 111.011 -178.75 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 11.1 mp -65.56 -32.46 74.06 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.803 0.335 . . . . 0.0 110.8 178.523 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -69.31 -47.63 63.9 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.875 176.39 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.553 HG13 ' O ' ' A' ' 46' ' ' MET . 61.3 mt -64.46 -33.37 62.45 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.166 0 CA-C-O 121.132 0.492 . . . . 0.0 109.897 177.715 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.623 ' O ' ' HG2' ' A' ' 55' ' ' ARG . 14.6 tp -56.38 -59.03 5.55 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.515 -0.766 . . . . 0.0 110.111 175.323 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . 0.446 ' O ' ' HD1' ' A' ' 56' ' ' PHE . . . -57.47 -41.93 81.61 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.899 -0.592 . . . . 0.0 110.634 -179.818 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 88.2 t80 -52.02 -59.87 3.85 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.266 175.522 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 96.0 mt -65.88 -15.36 62.87 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 112.298 0.481 . . . . 0.0 112.298 -176.895 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.623 ' HG2' ' O ' ' A' ' 51' ' ' LEU . 41.4 mmt180 -82.96 -50.04 8.98 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.1 0.476 . . . . 0.0 111.301 178.145 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . 0.559 ' CZ ' ' HA ' ' B' ' 84' ' ' PHE . 87.7 m-85 -89.56 -13.97 36.13 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.759 -172.689 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 44.6 p -99.99 -46.75 5.24 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.257 0.551 . . . . 0.0 110.574 176.589 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -119.11 -178.83 3.66 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.409 -172.46 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 4.2 mp -120.72 124.55 72.63 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-N 115.755 -0.657 . . . . 0.0 109.314 176.8 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 1.6 tmtp? 72.83 96.92 0.04 OUTLIER Pre-proline 0 C--O 1.234 0.277 0 O-C-N 124.017 0.823 . . . . 0.0 110.31 -178.782 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 16.0 Cg_exo -70.16 144.96 53.48 Favored 'Trans proline' 0 C--O 1.236 0.386 0 C-N-CA 123.049 2.499 . . . . 0.0 111.539 174.905 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 39.1 m -57.84 139.33 54.35 Favored 'General case' 0 C--O 1.237 0.404 0 CA-C-O 121.309 0.576 . . . . 0.0 111.138 179.873 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 96.2 mt -66.35 -16.47 64.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.317 -0.856 . . . . 0.0 112.256 -172.283 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -64.81 -48.4 72.46 Favored Glycine 0 C--O 1.238 0.386 0 C-N-CA 120.498 -0.858 . . . . 0.0 111.313 174.526 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -64.09 -40.42 96.2 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 109.657 -0.497 . . . . 0.0 109.657 176.729 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.444 ' O ' ' HB3' ' A' ' 69' ' ' TRP . 49.0 mm -63.3 -34.94 70.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 115.727 -0.67 . . . . 0.0 111.03 178.613 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 -64.87 -40.84 95.77 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.523 179.369 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 28.2 ttm180 -81.97 -24.2 35.63 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.086 0.47 . . . . 0.0 109.838 179.514 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' TRP . . . . . 0.554 ' NE1' HD12 ' B' ' 95' ' ' ILE . 38.3 t90 -56.91 -50.75 71.59 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.377 -0.829 . . . . 0.0 110.38 175.189 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -75.18 -0.7 61.9 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.846 -0.692 . . . . 0.0 112.592 178.295 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 33.2 t -95.25 -10.1 31.31 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.943 0.402 . . . . 0.0 110.172 178.756 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 40.1 t -75.11 140.05 18.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-N 115.961 -0.563 . . . . 0.0 109.634 177.661 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -68.0 136.85 31.15 Favored Glycine 0 N--CA 1.441 -0.988 0 N-CA-C 111.042 -0.823 . . . . 0.0 111.042 177.243 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.434 ' HD3' ' HA ' ' B' ' 96' ' ' ASN . 44.1 mttp -59.56 -42.83 93.34 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 120.836 0.35 . . . . 0.0 110.311 -175.882 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 55.6 tptt -63.71 -45.21 91.02 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.545 177.357 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . 0.481 ' O ' HG13 ' A' ' 80' ' ' ILE . 15.8 tp10 -61.61 -45.49 93.87 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.854 -0.612 . . . . 0.0 109.993 -179.719 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -60.4 -40.63 91.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.676 178.638 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' MET . . . . . 0.52 ' SD ' HD23 ' B' ' 92' ' ' LEU . 61.2 mmm -55.85 -42.61 76.09 Favored 'General case' 0 C--O 1.233 0.237 0 CA-C-O 120.947 0.403 . . . . 0.0 110.595 177.433 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -73.25 -38.77 65.86 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.775 -0.648 . . . . 0.0 111.002 -179.31 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . 0.481 HG13 ' O ' ' A' ' 76' ' ' GLU . 86.1 mt -65.05 -48.55 83.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.574 178.502 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 41.2 mm -63.61 -34.26 66.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.67 179.458 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 29.2 ttpp -58.87 -49.85 76.23 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.093 0.473 . . . . 0.0 110.108 175.549 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 14.0 tmtt? -67.2 -36.22 81.26 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.815 -0.63 . . . . 0.0 109.623 178.759 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . 0.579 ' HA ' ' CZ ' ' B' ' 56' ' ' PHE . 1.4 t80 -59.18 -54.41 47.2 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.5 -0.773 . . . . 0.0 110.589 -179.79 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . 0.417 ' HZ2' ' HB1' ' B' ' 89' ' ' ALA . 99.7 mttt -58.67 -44.97 90.37 Favored 'General case' 0 C--O 1.233 0.19 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.125 -179.59 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 60.8 mtpt -66.05 -36.58 83.63 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.377 -177.491 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 16.9 t0 -68.97 -39.53 79.39 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 109.306 -0.628 . . . . 0.0 109.306 179.363 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.495 ' HG ' ' O ' ' A' ' 84' ' ' PHE . 96.2 mt -59.33 -46.21 89.22 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.533 -0.758 . . . . 0.0 110.087 174.908 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . 0.413 ' HB1' ' HZ2' ' B' ' 85' ' ' LYS . . . -61.58 -36.36 80.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.741 -0.663 . . . . 0.0 111.361 -179.558 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . 0.561 ' O ' HG13 ' A' ' 94' ' ' ILE . . . -67.53 -50.4 58.85 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.567 178.75 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 74.4 mtm -66.07 -34.23 77.59 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.725 179.715 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.533 HD23 ' SD ' ' B' ' 78' ' ' MET . 51.6 tp -56.33 -45.42 80.36 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.564 0.697 . . . . 0.0 110.336 173.855 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 67.4 ttt180 -64.72 -32.72 74.52 Favored 'General case' 0 N--CA 1.439 -1.01 0 CA-C-N 115.472 -0.786 . . . . 0.0 110.672 178.736 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . 0.561 HG13 ' O ' ' A' ' 90' ' ' ALA . 19.5 mt -70.71 -28.63 34.87 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 C-N-CA 120.794 -0.363 . . . . 0.0 110.315 177.809 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . 0.534 HD12 ' CD1' ' B' ' 69' ' ' TRP . 29.7 mm -57.39 -48.08 83.4 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.14 0 CA-C-O 121.631 0.729 . . . . 0.0 109.157 171.138 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' ASN . . . . . 0.437 ' HA ' ' HD3' ' B' ' 74' ' ' LYS . 51.1 t30 -66.41 -35.54 80.58 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 114.894 -1.048 . . . . 0.0 110.403 177.245 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . 0.405 ' HB3' ' HA ' ' A' ' 94' ' ' ILE . . . -71.14 -7.46 46.82 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.556 -0.747 . . . . 0.0 112.137 -178.71 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . 0.407 ' HG2' ' O ' ' A' ' 94' ' ' ILE . 5.2 mmp_? -68.03 -19.59 64.91 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.956 0.407 . . . . 0.0 110.517 178.696 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . 0.456 ' HB2' ' HE2' ' B' ' 74' ' ' LYS . 60.4 tttm -82.89 -52.04 7.07 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.908 179.524 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -167.0 -45.74 0.02 OUTLIER 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.538 -0.756 . . . . 0.0 110.886 -169.37 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 37.1 ttmt 65.63 99.07 0.04 OUTLIER 'General case' 0 N--CA 1.463 0.215 0 O-C-N 123.649 0.593 . . . . 0.0 109.67 -172.289 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . 0.532 ' HD3' ' N ' ' A' ' 102' ' ' LYS . 0.1 OUTLIER -81.17 43.76 0.73 Allowed 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.382 -177.302 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 15.8 ptm180 47.25 -173.18 0.01 OUTLIER 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 125.165 1.386 . . . . 0.0 113.76 177.762 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 68.7 mtt180 . . . . . 0 C--O 1.25 1.115 0 CA-C-N 115.056 -0.975 . . . . 0.0 111.547 177.056 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.09 0 CA-C-O 121.022 0.439 . . . . 0.0 110.74 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 36' ' ' GLY . . . . . . . . . . . . . . . -63.85 -30.25 77.16 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 121.024 -0.608 . . . . 0.0 113.3 -176.169 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -73.96 -15.83 61.1 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 120.839 0.352 . . . . 0.0 111.347 -178.248 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -105.24 -46.93 4.1 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.477 -0.328 . . . . 0.0 111.265 -178.331 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -90.04 -14.78 33.16 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.667 0.27 . . . . 0.0 111.702 -175.765 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . 74.92 11.78 83.54 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.562 -0.827 . . . . 0.0 111.406 -175.886 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 41' ' ' HIS . . . . . . . . . . . . . 34.9 m170 -127.79 99.64 5.62 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 109.564 -0.532 . . . . 0.0 109.564 -178.427 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 42' ' ' GLY . . . . . . . . . . . . . . . -113.78 167.26 12.27 Favored Glycine 0 N--CA 1.446 -0.692 0 C-N-CA 120.423 -0.894 . . . . 0.0 112.543 -177.48 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 43' ' ' PRO . . . . . 0.466 ' O ' HG22 ' B' ' 47' ' ' VAL . 22.8 Cg_exo -65.63 174.79 5.0 Favored 'Trans proline' 0 C--N 1.343 0.282 0 C-N-CA 122.817 2.344 . . . . 0.0 112.311 177.57 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 22.5 pt -53.92 -38.38 36.55 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 N-CA-C 112.564 0.579 . . . . 0.0 112.564 -173.181 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 19.0 mtp180 -62.19 -45.47 93.23 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-O 120.861 0.362 . . . . 0.0 110.803 179.335 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 46' ' ' MET . . . . . 0.552 ' O ' HG13 ' B' ' 50' ' ' ILE . 24.0 mtt -60.66 -36.11 77.9 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.734 176.518 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 47' ' ' VAL . . . . . 0.466 HG22 ' O ' ' B' ' 43' ' ' PRO . 63.4 t -60.33 -45.95 95.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.11 -178.873 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 11.1 mp -65.37 -32.68 74.45 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.74 0.305 . . . . 0.0 110.924 178.355 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -69.07 -47.71 64.59 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.922 176.258 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 50' ' ' ILE . . . . . 0.552 HG13 ' O ' ' B' ' 46' ' ' MET . 61.2 mt -64.36 -33.57 63.59 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.16 0 CA-C-O 121.146 0.498 . . . . 0.0 109.95 177.729 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 51' ' ' LEU . . . . . 0.623 ' O ' ' HG2' ' B' ' 55' ' ' ARG . 14.7 tp -56.29 -58.98 5.68 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.531 -0.759 . . . . 0.0 110.124 175.287 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 52' ' ' ALA . . . . . 0.469 ' O ' ' HD1' ' B' ' 56' ' ' PHE . . . -57.5 -41.99 81.85 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.676 -179.859 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 53' ' ' PHE . . . . . . . . . . . . . 88.3 t80 -51.97 -59.75 3.98 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.351 175.471 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 54' ' ' LEU . . . . . . . . . . . . . 96.0 mt -66.0 -15.48 63.06 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 112.29 0.478 . . . . 0.0 112.29 -176.879 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 55' ' ' ARG . . . . . 0.623 ' HG2' ' O ' ' B' ' 51' ' ' LEU . 41.6 mmt180 -82.76 -50.47 8.65 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.077 0.465 . . . . 0.0 111.181 178.094 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 56' ' ' PHE . . . . . 0.579 ' CZ ' ' HA ' ' A' ' 84' ' ' PHE . 87.3 m-85 -89.03 -13.86 37.77 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.755 -172.484 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 57' ' ' THR . . . . . 0.404 ' O ' ' HE2' ' A' ' 46' ' ' MET . 44.3 p -100.15 -46.88 5.16 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.304 0.574 . . . . 0.0 110.572 176.47 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -118.83 -178.4 3.54 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.339 -172.508 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 59' ' ' ILE . . . . . . . . . . . . . 4.2 mp -121.02 124.37 72.1 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-N 115.643 -0.708 . . . . 0.0 109.45 176.713 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 1.6 tmtp? 73.08 96.88 0.04 OUTLIER Pre-proline 0 N--CA 1.465 0.292 0 O-C-N 124.017 0.823 . . . . 0.0 110.222 -178.758 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 61' ' ' PRO . . . . . . . . . . . . . 16.0 Cg_exo -70.15 145.03 53.73 Favored 'Trans proline' 0 C--O 1.234 0.299 0 C-N-CA 123.074 2.516 . . . . 0.0 111.561 174.863 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 33.2 m -57.96 139.15 55.02 Favored 'General case' 0 C--O 1.237 0.447 0 CA-C-O 121.201 0.524 . . . . 0.0 111.162 179.891 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 96.0 mt -66.04 -16.56 64.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.367 -0.833 . . . . 0.0 112.279 -172.397 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -64.69 -48.64 70.39 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.522 -0.847 . . . . 0.0 111.333 174.443 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -64.05 -40.38 96.15 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 109.755 -0.461 . . . . 0.0 109.755 176.759 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 66' ' ' ILE . . . . . 0.457 ' O ' ' HB3' ' B' ' 69' ' ' TRP . 48.8 mm -63.05 -35.47 71.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 115.736 -0.665 . . . . 0.0 110.919 178.432 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 67' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 -64.54 -41.17 96.52 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.477 179.728 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 68' ' ' ARG . . . . . . . . . . . . . 27.5 ttm180 -81.52 -24.17 36.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.124 0.488 . . . . 0.0 109.93 179.599 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 69' ' ' TRP . . . . . 0.534 ' CD1' HD12 ' A' ' 95' ' ' ILE . 38.5 t90 -56.99 -50.64 72.09 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.37 -0.832 . . . . 0.0 110.372 175.24 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . -74.95 -1.51 62.88 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.93 -0.652 . . . . 0.0 112.564 178.367 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 71' ' ' SER . . . . . . . . . . . . . 34.6 t -94.67 -9.84 33.63 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.05 0.452 . . . . 0.0 110.089 178.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 72' ' ' VAL . . . . . . . . . . . . . 39.9 t -75.42 139.91 18.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 115.968 -0.56 . . . . 0.0 109.685 177.619 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 73' ' ' GLY . . . . . . . . . . . . . . . -68.03 136.75 31.02 Favored Glycine 0 N--CA 1.44 -1.085 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 177.402 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 74' ' ' LYS . . . . . 0.456 ' HE2' ' HB2' ' A' ' 99' ' ' LYS . 44.4 mttp -59.56 -42.93 93.53 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 120.849 0.357 . . . . 0.0 110.384 -175.861 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 75' ' ' LYS . . . . . . . . . . . . . 55.6 tptt -63.6 -45.29 91.05 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.592 177.259 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 76' ' ' GLU . . . . . 0.487 ' O ' HG13 ' B' ' 80' ' ' ILE . 15.9 tp10 -61.42 -45.68 93.3 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.762 -0.654 . . . . 0.0 109.998 -179.671 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 77' ' ' ALA . . . . . . . . . . . . . . . -60.29 -40.53 90.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.774 178.628 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 78' ' ' MET . . . . . 0.533 ' SD ' HD23 ' A' ' 92' ' ' LEU . 61.2 mmm -55.92 -42.56 76.29 Favored 'General case' 0 N--CA 1.462 0.175 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.592 177.402 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 79' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -73.5 -38.39 65.37 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.045 -179.125 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 80' ' ' ILE . . . . . 0.487 HG13 ' O ' ' B' ' 76' ' ' GLU . 85.7 mt -65.27 -48.51 83.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.614 178.232 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 81' ' ' ILE . . . . . . . . . . . . . 41.3 mm -63.68 -34.22 66.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.901 0.381 . . . . 0.0 110.734 179.399 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 82' ' ' LYS . . . . . . . . . . . . . 29.2 ttpp -58.78 -49.97 75.67 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.161 175.458 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 83' ' ' LYS . . . . . . . . . . . . . 13.9 tmtt? -67.18 -36.17 81.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.784 -0.644 . . . . 0.0 109.686 178.548 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 84' ' ' PHE . . . . . 0.559 ' HA ' ' CZ ' ' A' ' 56' ' ' PHE . 1.4 t80 -59.28 -54.26 48.91 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.637 -0.711 . . . . 0.0 110.528 -179.786 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 85' ' ' LYS . . . . . 0.413 ' HZ2' ' HB1' ' A' ' 89' ' ' ALA . 99.7 mttt -58.95 -44.55 91.46 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.149 -179.456 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 86' ' ' LYS . . . . . . . . . . . . . 60.2 mtpt -66.17 -36.87 84.23 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.372 -177.506 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 87' ' ' ASP . . . . . . . . . . . . . 16.1 t0 -68.81 -39.27 80.17 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 109.543 -0.54 . . . . 0.0 109.543 179.251 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 88' ' ' LEU . . . . . 0.501 ' HG ' ' O ' ' B' ' 84' ' ' PHE . 96.1 mt -59.62 -45.93 90.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.555 -0.748 . . . . 0.0 110.028 174.913 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 89' ' ' ALA . . . . . 0.417 ' HB1' ' HZ2' ' A' ' 85' ' ' LYS . . . -61.71 -36.68 81.64 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.764 -0.653 . . . . 0.0 111.284 -179.488 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 90' ' ' ALA . . . . . 0.563 ' O ' HG13 ' B' ' 94' ' ' ILE . . . -67.42 -50.25 60.21 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.608 178.935 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 91' ' ' MET . . . . . . . . . . . . . 74.1 mtm -66.05 -34.11 77.34 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.812 179.382 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 92' ' ' LEU . . . . . 0.52 HD23 ' SD ' ' A' ' 78' ' ' MET . 51.3 tp -56.48 -45.31 81.0 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.547 0.689 . . . . 0.0 110.304 173.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 93' ' ' ARG . . . . . . . . . . . . . 67.6 ttt180 -64.63 -33.06 75.05 Favored 'General case' 0 N--CA 1.439 -1.016 0 CA-C-N 115.482 -0.781 . . . . 0.0 110.665 178.664 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 94' ' ' ILE . . . . . 0.563 HG13 ' O ' ' B' ' 90' ' ' ALA . 19.4 mt -70.47 -28.64 35.65 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 C-N-CA 120.853 -0.339 . . . . 0.0 110.306 177.878 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 95' ' ' ILE . . . . . 0.554 HD12 ' NE1' ' A' ' 69' ' ' TRP . 29.6 mm -57.5 -48.0 83.86 Favored 'Isoleucine or valine' 0 C--O 1.233 0.217 0 N-CA-C 109.034 -0.728 . . . . 0.0 109.034 171.159 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 96' ' ' ASN . . . . . 0.434 ' HA ' ' HD3' ' A' ' 74' ' ' LYS . 50.7 t30 -66.5 -35.38 80.11 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.042 -0.981 . . . . 0.0 110.376 177.331 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 97' ' ' ALA . . . . . 0.401 ' HB3' ' HA ' ' B' ' 94' ' ' ILE . . . -71.22 -7.73 48.84 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.594 -0.73 . . . . 0.0 112.1 -178.762 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 98' ' ' ARG . . . . . 0.412 ' HG2' ' O ' ' B' ' 94' ' ' ILE . 5.2 mmp_? -67.7 -19.46 65.17 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.869 0.366 . . . . 0.0 110.594 178.616 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 99' ' ' LYS . . . . . 0.419 ' HB2' ' HE2' ' A' ' 74' ' ' LYS . 60.7 tttm -83.03 -52.43 6.66 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.674 179.7 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 100' ' ' GLU . . . . . . . . . . . . . 41.2 tt0 -166.71 -45.75 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.48 -0.782 . . . . 0.0 110.924 -169.177 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 101' ' ' LYS . . . . . . . . . . . . . 37.2 ttmt 65.81 99.15 0.04 OUTLIER 'General case' 0 N--CA 1.463 0.209 0 O-C-N 123.636 0.585 . . . . 0.0 109.662 -172.383 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 102' ' ' LYS . . . . . 0.527 ' N ' ' HD3' ' B' ' 102' ' ' LYS . 0.1 OUTLIER -81.43 43.6 0.74 Allowed 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.338 -177.06 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 103' ' ' ARG . . . . . . . . . . . . . 15.8 ptm180 47.33 -173.36 0.01 OUTLIER 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 125.043 1.337 . . . . 0.0 113.727 177.808 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 104' ' ' ARG . . . . . . . . . . . . . 68.4 mtt180 . . . . . 0 C--O 1.248 1.016 0 CA-C-N 115.138 -0.937 . . . . 0.0 111.636 176.775 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.016 0 CA-C-O 120.975 0.417 . . . . 0.0 110.367 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -59.12 -39.23 94.15 Favored Glycine 0 N--CA 1.452 -0.278 0 CA-C-N 116.05 -0.523 . . . . 0.0 113.455 -174.714 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 10.7 mp -70.88 -19.91 62.57 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-O 120.623 0.249 . . . . 0.0 111.498 -176.779 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 10.1 mp -95.38 -35.16 11.86 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.851 0.358 . . . . 0.0 110.639 -178.174 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -92.98 -6.12 49.12 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.228 -178.521 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 73.23 34.26 58.19 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.934 -0.651 . . . . 0.0 112.244 177.878 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 31.8 m170 -132.27 173.93 10.75 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 110.111 -0.329 . . . . 0.0 110.111 -176.677 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -123.76 89.22 0.4 Allowed Glycine 0 N--CA 1.441 -0.975 0 N-CA-C 111.078 -0.809 . . . . 0.0 111.078 174.813 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.504 ' HD2' ' SD ' ' A' ' 46' ' ' MET . 31.6 Cg_exo -60.37 161.66 19.61 Favored 'Trans proline' 0 C--N 1.343 0.281 0 C-N-CA 122.816 2.344 . . . . 0.0 111.52 178.449 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 11.2 pt -55.59 -26.38 19.62 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.337 0 N-CA-C 113.44 0.904 . . . . 0.0 113.44 -169.232 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . 0.446 HH11 HD13 ' A' ' 80' ' ' ILE . 3.4 mpt_? -61.86 -50.17 73.3 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-O 121.59 0.709 . . . . 0.0 109.48 172.785 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' MET . . . . . 0.504 ' SD ' ' HD2' ' A' ' 43' ' ' PRO . 80.4 mtp -70.74 -29.28 65.48 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 114.963 -1.017 . . . . 0.0 111.007 -179.249 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 98.2 t -62.35 -46.15 97.1 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.156 0 CA-C-O 120.775 0.322 . . . . 0.0 110.461 178.912 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 80.5 mt -68.87 -35.19 76.6 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.822 177.689 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -65.93 -48.82 70.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.436 179.08 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.401 ' O ' ' HB3' ' A' ' 53' ' ' PHE . 15.0 tt -71.4 -25.33 24.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.878 0.37 . . . . 0.0 110.3 -179.577 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.548 HD23 ' SD ' ' B' ' 91' ' ' MET . 11.9 tp -62.36 -55.81 24.38 Favored 'General case' 0 N--CA 1.451 -0.413 0 N-CA-C 109.652 -0.499 . . . . 0.0 109.652 176.133 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -57.44 -37.78 73.38 Favored 'General case' 0 CA--C 1.52 -0.196 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.585 178.174 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 0.401 ' HB3' ' O ' ' A' ' 50' ' ' ILE . 91.7 t80 -54.03 -56.11 21.05 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.609 -0.723 . . . . 0.0 109.72 173.82 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 81.1 mt -69.7 -10.05 56.78 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.989 -178.762 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.541 ' HG2' ' O ' ' A' ' 51' ' ' LEU . 27.7 mmm180 -85.34 -37.4 19.96 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.949 0.404 . . . . 0.0 111.044 177.407 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . 0.444 ' CZ ' ' HA ' ' B' ' 84' ' ' PHE . 66.4 m-85 -106.96 -10.92 15.82 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.277 -0.42 . . . . 0.0 112.042 -175.595 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 27.3 p -108.68 -1.57 19.35 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.201 0.524 . . . . 0.0 110.695 175.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -156.6 177.54 11.36 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.846 -0.615 . . . . 0.0 109.82 -177.164 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.505 HG22 ' O ' ' A' ' 59' ' ' ILE . 3.3 mp -122.12 38.86 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-O 122.257 1.027 . . . . 0.0 110.087 179.435 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 54.3 tttp 173.79 118.72 0.09 OUTLIER Pre-proline 0 C--N 1.319 -0.761 0 CA-C-N 114.304 -1.317 . . . . 0.0 110.427 177.114 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 3.0 Cg_exo -76.82 135.3 15.7 Favored 'Trans proline' 0 N--CA 1.457 -0.639 0 C-N-CA 122.34 2.027 . . . . 0.0 110.689 169.212 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' SER . . . . . 0.403 ' HB2' HD21 ' A' ' 65' ' ' LEU . 14.7 m -60.93 142.26 56.54 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.217 0.532 . . . . 0.0 110.659 -179.382 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 87.4 mt -58.24 -30.37 66.49 Favored 'General case' 0 C--O 1.224 -0.289 0 CA-C-N 115.069 -0.969 . . . . 0.0 112.773 -170.581 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -58.11 -44.76 94.6 Favored Glycine 0 C--O 1.239 0.435 0 C-N-CA 120.295 -0.955 . . . . 0.0 111.428 177.555 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.403 HD21 ' HB2' ' A' ' 62' ' ' SER . 2.9 mm? -66.76 -40.5 88.27 Favored 'General case' 0 C--O 1.219 -0.506 0 N-CA-C 109.76 -0.459 . . . . 0.0 109.76 177.395 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.422 ' O ' ' HB3' ' A' ' 69' ' ' TRP . 41.6 mm -62.0 -42.89 96.58 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.349 0 CA-C-O 121.122 0.487 . . . . 0.0 111.247 179.44 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 7.2 m120 -61.61 -39.4 91.1 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.894 -0.593 . . . . 0.0 111.401 179.579 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 55.8 ttt180 -83.9 -23.77 31.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.292 0.568 . . . . 0.0 110.254 179.456 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' TRP . . . . . 0.506 ' NE1' HD13 ' B' ' 95' ' ' ILE . 36.3 t90 -58.57 -46.98 85.75 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.282 -0.872 . . . . 0.0 110.582 176.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -68.86 -11.9 63.89 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.842 -0.694 . . . . 0.0 112.598 178.132 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 23.7 t -86.64 -19.34 29.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.748 0.308 . . . . 0.0 110.321 179.101 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 28.3 t -66.42 135.34 28.64 Favored 'Isoleucine or valine' 0 C--O 1.235 0.325 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 173.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -80.55 151.96 33.23 Favored Glycine 0 N--CA 1.447 -0.632 0 C-N-CA 120.511 -0.852 . . . . 0.0 111.731 179.419 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.546 ' O ' ' HG3' ' A' ' 78' ' ' MET . 0.0 OUTLIER -62.94 -44.96 94.64 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.732 0.266 . . . . 0.0 111.145 -177.508 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 57.8 tptt -60.38 -48.05 83.43 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.133 0.492 . . . . 0.0 110.125 179.625 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . 0.41 ' O ' HG13 ' A' ' 80' ' ' ILE . 9.7 tp10 -59.01 -50.32 74.55 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.221 -0.899 . . . . 0.0 110.416 178.272 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . 0.515 ' O ' HG12 ' A' ' 81' ' ' ILE . . . -58.84 -41.82 87.83 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.911 -179.733 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' MET . . . . . 0.546 ' HG3' ' O ' ' A' ' 74' ' ' LYS . 65.9 mtt -54.06 -49.35 69.19 Favored 'General case' 0 CA--C 1.518 -0.259 0 O-C-N 123.08 0.237 . . . . 0.0 110.688 178.223 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . 0.414 ' O ' ' HG2' ' A' ' 83' ' ' LYS . 47.2 mt-10 -65.09 -41.9 94.57 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.896 -177.916 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . 0.446 HD13 HH11 ' A' ' 45' ' ' ARG . 75.6 mt -62.94 -46.49 96.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.498 177.746 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . 0.515 HG12 ' O ' ' A' ' 77' ' ' ALA . 37.9 mm -62.64 -37.13 78.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.105 -179.495 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . 0.536 ' HG3' ' O ' ' A' ' 78' ' ' MET . 68.6 mttm -61.64 -43.49 98.75 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.882 0.372 . . . . 0.0 110.581 176.85 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . 0.414 ' HG2' ' O ' ' A' ' 79' ' ' GLU . 75.3 mmtt -70.58 -33.11 70.72 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.18 178.619 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . 0.51 ' O ' ' HG ' ' A' ' 88' ' ' LEU . 1.7 t80 -65.38 -51.86 57.52 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.516 -0.765 . . . . 0.0 109.962 178.803 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -59.89 -35.46 74.88 Favored 'General case' 0 C--O 1.233 0.19 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.558 177.921 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 61.7 tttp -63.38 -46.79 84.85 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.726 -0.67 . . . . 0.0 111.087 178.577 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -67.81 -34.35 76.58 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 109.816 -0.439 . . . . 0.0 109.816 -178.641 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.51 ' HG ' ' O ' ' A' ' 84' ' ' PHE . 91.5 mt -62.05 -44.04 97.55 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 115.784 -0.643 . . . . 0.0 110.317 175.127 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -64.2 -37.5 87.69 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.684 178.503 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . 0.656 ' O ' HG13 ' A' ' 94' ' ' ILE . . . -68.3 -51.47 44.47 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.92 178.864 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' MET . . . . . 0.576 ' O ' HG12 ' A' ' 95' ' ' ILE . 23.4 ptp -60.85 -38.0 84.0 Favored 'General case' 0 N--CA 1.462 0.169 0 CA-C-O 120.465 0.174 . . . . 0.0 110.619 -178.781 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 17.7 tp -60.42 -46.52 89.71 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-O 121.503 0.668 . . . . 0.0 110.47 175.247 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . 0.432 ' C ' ' HD3' ' A' ' 93' ' ' ARG . 3.6 tmt_? -57.89 -37.57 74.22 Favored 'General case' 0 N--CA 1.444 -0.764 0 CA-C-N 115.287 -0.869 . . . . 0.0 110.198 177.841 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . 0.656 HG13 ' O ' ' A' ' 90' ' ' ALA . 17.1 mt -76.02 -25.96 17.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.729 179.071 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . 0.576 HG12 ' O ' ' A' ' 91' ' ' MET . 29.8 mm -56.97 -42.36 78.83 Favored 'Isoleucine or valine' 0 C--O 1.237 0.423 0 N-CA-C 109.341 -0.615 . . . . 0.0 109.341 172.369 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 35.2 t30 -64.42 -43.26 94.93 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.313 -0.858 . . . . 0.0 110.153 174.626 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -66.95 -20.84 65.96 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.313 179.151 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 22.6 mmm180 -95.89 30.12 2.49 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.305 0.574 . . . . 0.0 109.975 174.87 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . 0.475 ' HB2' ' HZ1' ' A' ' 99' ' ' LYS . 0.0 OUTLIER -145.89 -56.07 0.29 Allowed 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 108.619 -0.882 . . . . 0.0 108.619 175.589 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 58.52 22.64 9.89 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-N 115.193 -0.912 . . . . 0.0 111.366 177.203 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 28.3 mtpp 65.56 161.63 0.14 Allowed 'General case' 0 C--O 1.233 0.206 0 CA-C-N 115.571 -0.74 . . . . 0.0 111.799 -178.465 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 35.6 mtmm 71.28 41.19 0.79 Allowed 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.35 -0.841 . . . . 0.0 110.353 175.601 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 32.5 tpt180 -84.21 -21.63 31.15 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.388 -179.478 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 78.7 mtp180 . . . . . 0 C--O 1.25 1.083 0 CA-C-O 118.742 -0.647 . . . . 0.0 110.548 -179.988 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.047 0 CA-C-O 120.874 0.369 . . . . 0.0 110.573 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 36' ' ' GLY . . . . . . . . . . . . . . . -59.64 -38.93 94.47 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 121.147 -0.549 . . . . 0.0 113.511 -174.071 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 10.6 mp -71.04 -19.55 62.48 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 120.741 0.305 . . . . 0.0 111.522 -177.083 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 10.1 mp -95.43 -35.39 11.74 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.91 0.386 . . . . 0.0 110.71 -178.366 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -92.7 -6.47 49.12 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.312 -178.467 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . 73.73 34.04 57.07 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 121.03 -0.605 . . . . 0.0 112.209 177.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 41' ' ' HIS . . . . . . . . . . . . . 31.7 m170 -132.31 173.68 11.01 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 110.107 -0.331 . . . . 0.0 110.107 -176.673 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 42' ' ' GLY . . . . . . . . . . . . . . . -123.56 89.2 0.4 Allowed Glycine 0 N--CA 1.442 -0.952 0 N-CA-C 111.077 -0.809 . . . . 0.0 111.077 174.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 43' ' ' PRO . . . . . 0.511 ' HD2' ' SD ' ' B' ' 46' ' ' MET . 31.6 Cg_exo -60.22 161.45 19.7 Favored 'Trans proline' 0 C--N 1.345 0.344 0 C-N-CA 122.852 2.368 . . . . 0.0 111.662 178.277 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 11.4 pt -55.69 -26.14 19.54 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.268 0 N-CA-C 113.398 0.888 . . . . 0.0 113.398 -169.178 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 45' ' ' ARG . . . . . 0.445 HH11 HD13 ' B' ' 80' ' ' ILE . 3.4 mpt_? -61.94 -50.3 72.71 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-O 121.478 0.656 . . . . 0.0 109.523 172.575 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 46' ' ' MET . . . . . 0.511 ' SD ' ' HD2' ' B' ' 43' ' ' PRO . 80.6 mtp -70.6 -29.32 65.7 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.008 -0.997 . . . . 0.0 110.994 -179.368 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 47' ' ' VAL . . . . . . . . . . . . . 97.5 t -62.44 -46.1 97.22 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.117 0 CA-C-O 120.755 0.312 . . . . 0.0 110.46 179.018 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 80.0 mt -68.94 -35.14 76.45 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.778 177.742 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -65.91 -48.85 70.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.391 179.109 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 50' ' ' ILE . . . . . 0.402 ' O ' ' HB3' ' B' ' 53' ' ' PHE . 15.1 tt -71.34 -25.23 24.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 120.865 0.364 . . . . 0.0 110.409 -179.683 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 51' ' ' LEU . . . . . 0.549 HD23 ' SD ' ' A' ' 91' ' ' MET . 11.9 tp -62.41 -55.81 24.23 Favored 'General case' 0 N--CA 1.452 -0.372 0 N-CA-C 109.628 -0.508 . . . . 0.0 109.628 176.113 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -57.42 -37.78 73.33 Favored 'General case' 0 C--O 1.233 0.205 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.579 178.155 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 53' ' ' PHE . . . . . 0.402 ' HB3' ' O ' ' B' ' 50' ' ' ILE . 91.5 t80 -54.08 -55.96 22.56 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.62 -0.718 . . . . 0.0 109.726 173.819 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 54' ' ' LEU . . . . . . . . . . . . . 81.1 mt -69.98 -9.76 56.29 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.852 -178.707 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 55' ' ' ARG . . . . . 0.539 ' HG2' ' O ' ' B' ' 51' ' ' LEU . 27.7 mmm180 -85.73 -36.9 19.89 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.741 0.305 . . . . 0.0 111.162 177.361 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 56' ' ' PHE . . . . . 0.444 ' CZ ' ' HA ' ' A' ' 84' ' ' PHE . 66.5 m-85 -107.31 -11.12 15.63 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.349 -0.387 . . . . 0.0 112.041 -175.821 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 57' ' ' THR . . . . . 0.416 ' HA ' ' HG2' ' A' ' 46' ' ' MET . 27.2 p -108.3 -1.95 19.65 Favored 'General case' 0 C--N 1.325 -0.462 0 C-N-CA 120.456 -0.498 . . . . 0.0 110.591 176.041 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -156.38 177.61 11.26 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.909 -0.587 . . . . 0.0 109.844 -177.088 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 59' ' ' ILE . . . . . 0.474 ' O ' HG22 ' B' ' 59' ' ' ILE . 3.2 mp -122.56 39.66 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-O 122.076 0.941 . . . . 0.0 109.987 179.498 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 54.4 tttp 173.45 118.98 0.09 OUTLIER Pre-proline 0 C--N 1.319 -0.73 0 CA-C-N 114.348 -1.297 . . . . 0.0 110.266 176.448 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 61' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_exo -76.76 135.42 15.93 Favored 'Trans proline' 0 N--CA 1.457 -0.644 0 C-N-CA 122.348 2.032 . . . . 0.0 110.672 168.757 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 14.6 m -61.01 142.05 56.9 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.217 0.532 . . . . 0.0 110.651 -179.529 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 87.5 mt -58.08 -30.5 66.27 Favored 'General case' 0 CA--C 1.517 -0.302 0 CA-C-N 115.119 -0.946 . . . . 0.0 112.69 -170.625 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -57.74 -45.13 93.76 Favored Glycine 0 C--O 1.238 0.388 0 C-N-CA 120.216 -0.992 . . . . 0.0 111.654 177.175 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -66.59 -40.62 88.98 Favored 'General case' 0 C--O 1.219 -0.525 0 N-CA-C 109.73 -0.47 . . . . 0.0 109.73 177.446 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 66' ' ' ILE . . . . . 0.416 ' O ' ' HB3' ' B' ' 69' ' ' TRP . 41.6 mm -61.83 -42.87 96.21 Favored 'Isoleucine or valine' 0 C--O 1.234 0.27 0 CA-C-O 121.11 0.481 . . . . 0.0 111.201 179.421 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 67' ' ' ASN . . . . . . . . . . . . . 7.3 m120 -61.72 -39.01 90.0 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.487 179.495 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 68' ' ' ARG . . . . . . . . . . . . . 55.5 ttt180 -84.27 -23.67 30.25 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.357 0.599 . . . . 0.0 110.277 179.257 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 69' ' ' TRP . . . . . 0.483 ' NE1' HD13 ' A' ' 95' ' ' ILE . 36.3 t90 -58.53 -46.9 85.83 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.258 -0.883 . . . . 0.0 110.6 177.1 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . -69.48 -11.26 64.74 Favored Glycine 0 N--CA 1.45 -0.417 0 C-N-CA 120.94 -0.648 . . . . 0.0 112.587 178.208 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 71' ' ' SER . . . . . . . . . . . . . 24.8 t -86.63 -20.03 28.44 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 110.143 -0.318 . . . . 0.0 110.143 178.619 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 72' ' ' VAL . . . . . . . . . . . . . 27.9 t -65.94 135.42 28.43 Favored 'Isoleucine or valine' 0 C--O 1.236 0.354 0 N-CA-C 109.26 -0.644 . . . . 0.0 109.26 174.231 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 73' ' ' GLY . . . . . . . . . . . . . . . -80.56 151.84 33.05 Favored Glycine 0 N--CA 1.445 -0.71 0 C-N-CA 120.593 -0.813 . . . . 0.0 111.726 179.39 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 74' ' ' LYS . . . . . 0.535 ' O ' ' HG3' ' B' ' 78' ' ' MET . 0.0 OUTLIER -63.17 -44.87 94.22 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.657 0.228 . . . . 0.0 111.077 -177.441 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 75' ' ' LYS . . . . . . . . . . . . . 57.7 tptt -60.49 -47.59 85.47 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.166 0.508 . . . . 0.0 110.161 179.59 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 76' ' ' GLU . . . . . 0.401 ' O ' HG13 ' B' ' 80' ' ' ILE . 9.8 tp10 -59.59 -50.06 75.35 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.201 -0.909 . . . . 0.0 110.443 178.345 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 77' ' ' ALA . . . . . 0.516 ' O ' HG12 ' B' ' 81' ' ' ILE . . . -58.95 -41.75 88.16 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.954 -179.849 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 78' ' ' MET . . . . . 0.54 ' O ' ' HG3' ' B' ' 82' ' ' LYS . 65.7 mtt -54.14 -49.25 69.65 Favored 'General case' 0 CA--C 1.518 -0.269 0 CA-C-O 120.725 0.298 . . . . 0.0 110.681 178.259 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 79' ' ' GLU . . . . . 0.419 ' O ' ' HG2' ' B' ' 83' ' ' LYS . 47.9 mt-10 -65.2 -41.89 94.08 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.908 -177.902 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 80' ' ' ILE . . . . . 0.445 HD13 HH11 ' B' ' 45' ' ' ARG . 75.8 mt -62.97 -46.53 96.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.402 177.638 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 81' ' ' ILE . . . . . 0.516 HG12 ' O ' ' B' ' 77' ' ' ALA . 38.6 mm -62.58 -36.87 77.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.253 -179.549 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 82' ' ' LYS . . . . . 0.54 ' HG3' ' O ' ' B' ' 78' ' ' MET . 68.6 mttm -61.86 -43.46 98.8 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.874 0.368 . . . . 0.0 110.533 176.819 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 83' ' ' LYS . . . . . 0.419 ' HG2' ' O ' ' B' ' 79' ' ' GLU . 75.3 mmtt -70.66 -33.24 70.74 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.139 0.495 . . . . 0.0 110.045 178.714 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 84' ' ' PHE . . . . . 0.518 ' O ' ' HG ' ' B' ' 88' ' ' LEU . 1.7 t80 -65.2 -51.76 58.98 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.536 -0.756 . . . . 0.0 110.067 178.885 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 85' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -59.77 -35.56 74.88 Favored 'General case' 0 C--O 1.232 0.176 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.544 177.821 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 86' ' ' LYS . . . . . . . . . . . . . 61.2 tttp -63.32 -47.42 82.3 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.914 178.771 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 87' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -67.22 -33.99 76.53 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.284 -0.416 . . . . 0.0 109.992 -178.607 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 88' ' ' LEU . . . . . 0.518 ' HG ' ' O ' ' B' ' 84' ' ' PHE . 91.9 mt -62.4 -44.1 97.24 Favored 'General case' 0 C--N 1.333 -0.127 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.214 175.107 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -64.38 -37.27 86.93 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.625 178.619 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 90' ' ' ALA . . . . . 0.674 ' O ' HG13 ' B' ' 94' ' ' ILE . . . -68.54 -50.89 48.49 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.805 -0.634 . . . . 0.0 111.006 178.752 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 91' ' ' MET . . . . . 0.573 ' O ' HG12 ' B' ' 95' ' ' ILE . 23.3 ptp -61.49 -37.92 85.42 Favored 'General case' 0 N--CA 1.462 0.168 0 C-N-CA 121.24 -0.184 . . . . 0.0 110.54 -178.665 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 92' ' ' LEU . . . . . . . . . . . . . 17.5 tp -60.27 -46.53 89.52 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-O 121.409 0.623 . . . . 0.0 110.432 175.186 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 93' ' ' ARG . . . . . 0.45 ' HD3' ' O ' ' B' ' 93' ' ' ARG . 3.6 tmt_? -57.93 -37.49 74.17 Favored 'General case' 0 N--CA 1.444 -0.742 0 CA-C-N 115.315 -0.857 . . . . 0.0 110.164 177.889 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 94' ' ' ILE . . . . . 0.674 HG13 ' O ' ' B' ' 90' ' ' ALA . 17.5 mt -76.0 -26.17 17.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.697 179.054 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 95' ' ' ILE . . . . . 0.573 HG12 ' O ' ' B' ' 91' ' ' MET . 29.7 mm -56.81 -42.55 77.98 Favored 'Isoleucine or valine' 0 C--O 1.237 0.419 0 CA-C-O 121.429 0.633 . . . . 0.0 109.35 172.542 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 96' ' ' ASN . . . . . . . . . . . . . 34.2 t30 -64.37 -43.21 95.24 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.186 -0.915 . . . . 0.0 110.138 174.746 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 97' ' ' ALA . . . . . . . . . . . . . . . -67.19 -20.34 65.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.318 179.037 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 98' ' ' ARG . . . . . . . . . . . . . 22.7 mmm180 -96.0 29.46 2.74 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.216 0.531 . . . . 0.0 110.006 174.794 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 99' ' ' LYS . . . . . 0.494 ' HZ1' ' HB2' ' B' ' 99' ' ' LYS . 0.0 OUTLIER -145.54 -55.79 0.3 Allowed 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 108.757 -0.831 . . . . 0.0 108.757 175.895 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 100' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 58.67 21.99 9.42 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-N 115.182 -0.917 . . . . 0.0 111.359 176.807 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 101' ' ' LYS . . . . . . . . . . . . . 28.3 mtpp 66.24 161.95 0.15 Allowed 'General case' 0 C--O 1.233 0.208 0 CA-C-N 115.54 -0.754 . . . . 0.0 111.689 -178.276 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 102' ' ' LYS . . . . . . . . . . . . . 35.7 mtmm 71.23 40.86 0.82 Allowed 'General case' 0 N--CA 1.465 0.306 0 CA-C-N 115.294 -0.866 . . . . 0.0 110.38 175.384 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 103' ' ' ARG . . . . . . . . . . . . . 32.6 tpt180 -83.99 -21.82 31.58 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.725 -0.67 . . . . 0.0 110.262 -179.23 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 104' ' ' ARG . . . . . . . . . . . . . 78.9 mtp180 . . . . . 0 C--O 1.251 1.143 0 CA-C-O 118.857 -0.592 . . . . 0.0 110.439 179.972 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 0.972 0 CA-C-O 120.874 0.369 . . . . 0.0 110.582 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -60.44 -36.88 92.24 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 121.16 -0.543 . . . . 0.0 112.846 -177.515 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 9.4 mp -71.23 -20.63 62.22 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 120.71 0.291 . . . . 0.0 111.394 -177.718 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 53.0 tp -94.57 -39.39 10.4 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.906 0.384 . . . . 0.0 110.823 -177.131 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -91.91 -8.17 47.12 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.754 -176.085 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 80.09 39.05 17.13 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.045 179.705 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 28.3 m-70 -122.69 81.73 1.89 Allowed 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 120.874 0.369 . . . . 0.0 110.33 -178.629 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -91.24 130.85 10.49 Favored Glycine 0 N--CA 1.446 -0.647 0 C-N-CA 120.66 -0.781 . . . . 0.0 112.325 -179.334 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.666 ' HD2' ' SD ' ' A' ' 46' ' ' MET . 39.3 Cg_endo -67.79 170.25 14.44 Favored 'Trans proline' 0 C--O 1.232 0.218 0 C-N-CA 122.693 2.262 . . . . 0.0 112.108 176.553 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 24.4 pt -52.02 -40.79 30.13 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.358 0 N-CA-C 113.047 0.758 . . . . 0.0 113.047 -171.708 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 17.6 ptt180 -59.76 -46.68 88.41 Favored 'General case' 0 C--O 1.232 0.173 0 CA-C-O 121.163 0.506 . . . . 0.0 110.962 178.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' MET . . . . . 0.666 ' SD ' ' HD2' ' A' ' 43' ' ' PRO . 59.3 mtt -65.1 -32.46 74.17 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.621 -0.718 . . . . 0.0 111.222 178.62 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.441 HG22 ' O ' ' A' ' 43' ' ' PRO . 97.6 t -58.05 -48.75 83.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.721 0.296 . . . . 0.0 110.533 177.897 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 86.6 mt -63.52 -37.12 86.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.788 178.395 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -65.97 -47.55 74.21 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.251 178.127 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.533 HG13 ' O ' ' A' ' 46' ' ' MET . 70.0 mt -64.74 -31.58 54.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.337 179.342 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.458 HD22 ' NE1' ' A' ' 69' ' ' TRP . 13.2 tp -60.87 -55.75 29.37 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.179 176.867 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -58.17 -40.35 81.23 Favored 'General case' 0 CA--C 1.52 -0.188 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.318 178.272 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 91.6 t80 -54.1 -57.07 12.48 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.42 -0.809 . . . . 0.0 109.919 174.325 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 96.8 mt -70.36 -5.21 26.53 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 112.101 0.408 . . . . 0.0 112.101 -177.913 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.41 ' HG2' ' O ' ' A' ' 51' ' ' LEU . 32.8 mmt180 -89.87 -46.48 8.53 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.955 0.407 . . . . 0.0 111.265 174.241 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 76.8 m-85 -93.29 -14.19 27.28 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.685 -175.646 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' THR . . . . . 0.523 ' HA ' ' HG2' ' B' ' 46' ' ' MET . 17.0 p -112.36 -12.66 13.52 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 120.515 -0.474 . . . . 0.0 111.469 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -139.32 164.18 30.52 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 120.936 0.398 . . . . 0.0 110.893 -174.242 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 66.5 mt -91.02 -25.88 5.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-O 121.763 0.792 . . . . 0.0 110.942 -175.852 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 85.6 tttt -145.62 121.55 5.83 Favored Pre-proline 0 C--N 1.305 -1.353 0 CA-C-N 114.786 -1.097 . . . . 0.0 110.952 -178.598 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 15.3 Cg_exo -69.9 139.32 39.47 Favored 'Trans proline' 0 C--O 1.235 0.34 0 C-N-CA 122.481 2.121 . . . . 0.0 111.363 172.864 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 29.4 t -64.81 143.34 58.01 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.148 0.499 . . . . 0.0 110.54 -179.046 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 86.0 mt -66.77 -16.35 64.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.447 -0.797 . . . . 0.0 111.889 -172.681 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -66.27 -43.6 92.55 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.584 -0.817 . . . . 0.0 111.44 174.662 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -69.3 -38.55 78.33 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 109.648 -0.501 . . . . 0.0 109.648 176.754 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 48.9 mm -62.03 -38.46 80.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.772 177.719 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 4.1 t-20 -66.27 -40.3 90.03 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.806 179.307 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 24.0 ttm180 -86.39 -10.29 54.62 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.208 0.527 . . . . 0.0 110.287 -177.191 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' TRP . . . . . 0.532 ' NE1' HD13 ' B' ' 95' ' ' ILE . 12.3 t90 -60.98 -49.42 77.51 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.316 -0.856 . . . . 0.0 110.613 -179.762 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -77.68 -6.48 86.95 Favored Glycine 0 C--N 1.329 0.188 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.131 178.15 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 32.2 t -81.75 -21.68 37.72 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 109.325 -0.62 . . . . 0.0 109.325 176.579 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 60.6 t -64.9 127.33 25.59 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.355 0 CA-C-N 115.79 -0.641 . . . . 0.0 109.372 175.318 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -63.05 121.45 24.74 Favored Glycine 0 N--CA 1.444 -0.789 0 C-N-CA 120.429 -0.891 . . . . 0.0 111.078 177.708 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.555 ' O ' ' HG3' ' A' ' 78' ' ' MET . 2.0 ptpp? -58.92 -27.03 64.89 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.708 0.254 . . . . 0.0 111.382 -176.3 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.513 ' HD3' ' C ' ' A' ' 75' ' ' LYS . 8.0 tmtm? -63.96 -60.65 2.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.445 0.64 . . . . 0.0 109.428 173.363 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 7.0 tp10 -53.9 -39.36 65.7 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 114.749 -1.114 . . . . 0.0 110.866 176.487 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . 0.51 ' O ' HG12 ' A' ' 81' ' ' ILE . . . -56.35 -44.23 79.87 Favored 'General case' 0 N--CA 1.453 -0.3 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.663 177.954 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' MET . . . . . 0.566 ' O ' ' HG3' ' A' ' 82' ' ' LYS . 62.7 mtt -58.43 -45.19 88.96 Favored 'General case' 0 CA--C 1.519 -0.238 0 N-CA-C 110.144 -0.317 . . . . 0.0 110.144 177.013 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 23.9 mm-40 -59.09 -49.39 78.07 Favored 'General case' 0 C--O 1.236 0.393 0 CA-C-O 121.429 0.633 . . . . 0.0 110.492 179.644 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 80.3 mt -63.06 -48.37 88.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 115.2 -0.909 . . . . 0.0 111.122 -179.218 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . 0.51 HG12 ' O ' ' A' ' 77' ' ' ALA . 37.1 mm -60.33 -38.08 76.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.523 -0.308 . . . . 0.0 111.282 -177.857 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . 0.566 ' HG3' ' O ' ' A' ' 78' ' ' MET . 68.5 mttm -62.54 -45.36 93.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.776 0.322 . . . . 0.0 110.737 178.078 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 74.7 mmtt -72.27 -29.85 64.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.636 179.055 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . 0.5 ' O ' ' HG ' ' A' ' 88' ' ' LEU . 0.9 OUTLIER -63.94 -52.39 60.0 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.828 -0.624 . . . . 0.0 109.693 177.759 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -61.39 -35.85 78.65 Favored 'General case' 0 C--O 1.232 0.175 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.647 177.854 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 24.1 tptm -61.77 -46.32 90.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.67 178.367 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . 0.575 ' O ' ' HG3' ' A' ' 91' ' ' MET . 6.7 t70 -70.65 -35.35 72.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.259 -178.652 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.5 ' HG ' ' O ' ' A' ' 84' ' ' PHE . 91.4 mt -60.22 -43.33 96.11 Favored 'General case' 0 N--CA 1.463 0.217 0 CA-C-O 121.092 0.472 . . . . 0.0 110.538 176.328 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -63.26 -35.86 81.73 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.683 -0.69 . . . . 0.0 110.269 177.78 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . 0.466 ' O ' HG13 ' A' ' 94' ' ' ILE . . . -69.58 -41.11 76.24 Favored 'General case' 0 N--CA 1.45 -0.429 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.414 176.404 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' MET . . . . . 0.651 ' O ' HG12 ' A' ' 95' ' ' ILE . 67.4 mtt -53.38 -56.63 15.15 Favored 'General case' 0 CA--C 1.516 -0.336 0 N-CA-C 110.012 -0.366 . . . . 0.0 110.012 177.672 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 47.4 tp -53.43 -48.07 69.07 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.347 -0.842 . . . . 0.0 111.264 179.422 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 43.1 ttt180 -57.29 -38.59 74.2 Favored 'General case' 0 N--CA 1.448 -0.562 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.919 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . 0.623 ' O ' ' HG2' ' A' ' 98' ' ' ARG . 75.7 mt -76.59 -31.92 20.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.053 179.19 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . 0.651 HG12 ' O ' ' A' ' 91' ' ' MET . 29.5 mm -58.89 -36.74 63.02 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.27 0 CA-C-O 121.252 0.548 . . . . 0.0 109.803 176.092 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 14.5 m120 -71.02 -39.7 72.22 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.532 175.407 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -59.61 -38.45 81.31 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.446 0.641 . . . . 0.0 110.355 177.255 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . 0.623 ' HG2' ' O ' ' A' ' 94' ' ' ILE . 12.7 ptm180 -108.53 51.54 0.74 Allowed 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 115.238 -0.892 . . . . 0.0 108.611 178.462 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . 0.543 ' CB ' ' HE2' ' B' ' 74' ' ' LYS . 52.4 pttt -53.22 -28.66 28.25 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 114.387 -1.279 . . . . 0.0 111.087 179.559 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 32.2 mm-40 43.71 35.27 1.0 Allowed 'General case' 0 N--CA 1.465 0.275 0 CA-C-N 113.471 -1.695 . . . . 0.0 113.131 174.621 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -63.32 -61.75 2.14 Favored 'General case' 0 N--CA 1.453 -0.301 0 N-CA-C 109.364 -0.606 . . . . 0.0 109.364 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . 0.465 ' O ' ' HB2' ' A' ' 103' ' ' ARG . 47.0 mtmt 49.28 67.4 0.89 Allowed 'General case' 0 C--O 1.234 0.258 0 CA-C-N 115.608 -0.724 . . . . 0.0 111.136 175.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . 0.465 ' HB2' ' O ' ' A' ' 102' ' ' LYS . 27.9 mmm180 77.26 -40.65 0.35 Allowed 'General case' 0 N--CA 1.467 0.425 0 CA-C-N 115.314 -0.857 . . . . 0.0 112.811 178.941 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 38.2 ttm180 . . . . . 0 C--O 1.246 0.91 0 CA-C-O 118.295 -0.859 . . . . 0.0 111.033 -176.832 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.134 0 CA-C-O 120.863 0.363 . . . . 0.0 110.634 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 36' ' ' GLY . . . . . . . . . . . . . . . -60.35 -37.35 92.98 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 121.137 -0.554 . . . . 0.0 112.831 -177.463 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 9.3 mp -70.75 -20.7 62.61 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 120.708 0.289 . . . . 0.0 111.493 -177.675 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 52.9 tp -94.77 -38.95 10.53 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.945 0.402 . . . . 0.0 110.845 -176.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -92.41 -7.83 46.55 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.768 -176.244 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . 79.6 39.38 18.1 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.14 179.686 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 41' ' ' HIS . . . . . . . . . . . . . 28.6 m-70 -123.02 81.84 1.92 Allowed 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 120.835 0.35 . . . . 0.0 110.344 -178.579 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 42' ' ' GLY . . . . . . . . . . . . . . . -91.37 130.7 10.42 Favored Glycine 0 N--CA 1.445 -0.731 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.233 -179.143 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 43' ' ' PRO . . . . . 0.657 ' HD2' ' SD ' ' B' ' 46' ' ' MET . 39.7 Cg_endo -67.73 170.13 14.6 Favored 'Trans proline' 0 C--O 1.233 0.258 0 C-N-CA 122.673 2.248 . . . . 0.0 112.032 176.614 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 23.8 pt -51.87 -40.77 28.73 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.403 0 N-CA-C 113.085 0.772 . . . . 0.0 113.085 -171.59 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 17.8 ptt180 -59.8 -46.78 88.15 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-O 121.195 0.522 . . . . 0.0 110.922 178.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 46' ' ' MET . . . . . 0.657 ' SD ' ' HD2' ' B' ' 43' ' ' PRO . 59.0 mtt -65.09 -32.36 74.03 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.629 -0.714 . . . . 0.0 111.151 178.694 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 47' ' ' VAL . . . . . 0.431 HG22 ' O ' ' B' ' 43' ' ' PRO . 97.3 t -57.99 -48.82 83.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.74 0.305 . . . . 0.0 110.554 177.91 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 86.2 mt -63.41 -37.35 86.95 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.716 178.484 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -65.77 -47.59 74.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.224 178.25 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 50' ' ' ILE . . . . . 0.538 HG13 ' O ' ' B' ' 46' ' ' MET . 69.7 mt -64.78 -31.57 54.37 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.309 179.323 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 51' ' ' LEU . . . . . 0.453 HD22 ' NE1' ' B' ' 69' ' ' TRP . 13.1 tp -60.9 -55.69 30.03 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.257 176.813 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -58.1 -40.36 80.98 Favored 'General case' 0 CA--C 1.52 -0.208 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.377 178.204 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 53' ' ' PHE . . . . . . . . . . . . . 92.0 t80 -54.08 -56.96 13.13 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.331 -0.85 . . . . 0.0 109.968 174.284 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 54' ' ' LEU . . . . . . . . . . . . . 97.2 mt -70.55 -4.99 25.77 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 112.05 0.389 . . . . 0.0 112.05 -177.913 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 55' ' ' ARG . . . . . 0.406 ' HG2' ' O ' ' B' ' 51' ' ' LEU . 33.0 mmt180 -90.12 -46.32 8.54 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.97 0.414 . . . . 0.0 111.298 174.333 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 56' ' ' PHE . . . . . . . . . . . . . 77.0 m-85 -93.32 -14.32 27.08 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.735 -175.815 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 57' ' ' THR . . . . . 0.526 ' HA ' ' HG2' ' A' ' 46' ' ' MET . 16.6 p -112.42 -12.27 13.54 Favored 'General case' 0 C--N 1.33 -0.283 0 C-N-CA 120.505 -0.478 . . . . 0.0 111.498 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -139.48 164.79 28.95 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 120.868 0.366 . . . . 0.0 110.688 -174.394 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 59' ' ' ILE . . . . . . . . . . . . . 67.1 mt -91.87 -25.41 5.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-O 121.667 0.746 . . . . 0.0 110.967 -175.782 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 85.6 tttt -145.98 121.66 5.68 Favored Pre-proline 0 C--N 1.307 -1.27 0 CA-C-N 114.717 -1.128 . . . . 0.0 110.898 -178.851 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 61' ' ' PRO . . . . . . . . . . . . . 15.1 Cg_exo -69.89 139.27 39.36 Favored 'Trans proline' 0 N--CA 1.463 -0.31 0 C-N-CA 122.607 2.205 . . . . 0.0 111.441 172.716 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 31.5 t -64.93 143.2 58.11 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.159 0.504 . . . . 0.0 110.57 -179.076 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 86.4 mt -66.46 -16.4 64.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.383 -0.826 . . . . 0.0 111.94 -172.776 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -66.37 -43.59 92.35 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.486 -0.864 . . . . 0.0 111.327 174.858 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -69.12 -38.77 79.05 Favored 'General case' 0 N--CA 1.452 -0.33 0 N-CA-C 109.659 -0.497 . . . . 0.0 109.659 176.78 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 66' ' ' ILE . . . . . . . . . . . . . 49.0 mm -61.81 -38.59 80.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.647 177.652 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 67' ' ' ASN . . . . . . . . . . . . . 4.2 t-20 -66.22 -40.18 90.13 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.037 -0.528 . . . . 0.0 110.799 179.459 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 68' ' ' ARG . . . . . . . . . . . . . 23.9 ttm180 -86.51 -10.28 54.43 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.255 0.55 . . . . 0.0 110.358 -177.179 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 69' ' ' TRP . . . . . 0.503 ' NE1' HD13 ' A' ' 95' ' ' ILE . 12.3 t90 -61.01 -49.5 77.16 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.265 -0.88 . . . . 0.0 110.573 -179.745 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . -77.31 -7.19 86.9 Favored Glycine 0 C--N 1.33 0.195 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.021 178.345 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 71' ' ' SER . . . . . . . . . . . . . 31.8 t -81.34 -21.76 38.92 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 109.37 -0.604 . . . . 0.0 109.37 176.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 72' ' ' VAL . . . . . . . . . . . . . 59.9 t -64.9 127.34 25.59 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.356 0 CA-C-N 115.842 -0.617 . . . . 0.0 109.408 175.34 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 73' ' ' GLY . . . . . . . . . . . . . . . -63.02 121.41 24.67 Favored Glycine 0 N--CA 1.446 -0.699 0 C-N-CA 120.336 -0.935 . . . . 0.0 111.024 177.831 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 74' ' ' LYS . . . . . 0.568 ' O ' ' HG3' ' B' ' 78' ' ' MET . 2.0 ptpp? -58.87 -26.84 64.61 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.624 0.212 . . . . 0.0 111.436 -176.495 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 75' ' ' LYS . . . . . 0.526 ' C ' ' HD3' ' B' ' 75' ' ' LYS . 8.0 tmtm? -64.36 -60.64 2.93 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 173.515 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 76' ' ' GLU . . . . . 0.406 ' O ' HG13 ' B' ' 80' ' ' ILE . 7.0 tp10 -53.62 -39.38 64.9 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 114.815 -1.084 . . . . 0.0 110.984 176.333 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 77' ' ' ALA . . . . . 0.498 ' O ' HG12 ' B' ' 81' ' ' ILE . . . -56.37 -44.4 80.11 Favored 'General case' 0 N--CA 1.454 -0.261 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.616 177.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 78' ' ' MET . . . . . 0.572 ' O ' ' HG3' ' B' ' 82' ' ' LYS . 62.9 mtt -58.39 -45.17 88.86 Favored 'General case' 0 CA--C 1.518 -0.251 0 N-CA-C 110.091 -0.337 . . . . 0.0 110.091 177.072 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 79' ' ' GLU . . . . . . . . . . . . . 22.9 mm-40 -58.98 -49.36 78.18 Favored 'General case' 0 C--O 1.236 0.367 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.494 179.616 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 80' ' ' ILE . . . . . 0.406 HG13 ' O ' ' B' ' 76' ' ' GLU . 80.4 mt -63.26 -48.31 88.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 115.207 -0.906 . . . . 0.0 111.049 -179.153 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 81' ' ' ILE . . . . . 0.498 HG12 ' O ' ' B' ' 77' ' ' ALA . 37.1 mm -60.26 -38.24 76.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.554 -0.294 . . . . 0.0 111.297 -177.925 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 82' ' ' LYS . . . . . 0.572 ' HG3' ' O ' ' B' ' 78' ' ' MET . 68.5 mttm -62.28 -45.94 91.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.75 0.31 . . . . 0.0 110.645 177.869 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 83' ' ' LYS . . . . . . . . . . . . . 74.7 mmtt -71.83 -29.82 64.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.339 -0.392 . . . . 0.0 110.695 179.3 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 84' ' ' PHE . . . . . 0.501 ' O ' ' HG ' ' B' ' 88' ' ' LEU . 0.9 OUTLIER -63.98 -52.56 59.07 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.899 -0.591 . . . . 0.0 109.58 177.711 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 85' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -61.34 -35.85 78.56 Favored 'General case' 0 C--O 1.233 0.234 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.578 178.032 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 86' ' ' LYS . . . . . . . . . . . . . 24.1 tptm -61.9 -45.81 92.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.656 178.36 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 87' ' ' ASP . . . . . 0.566 ' O ' ' HG3' ' B' ' 91' ' ' MET . 6.7 t70 -70.99 -35.38 72.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.269 -178.791 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 88' ' ' LEU . . . . . 0.501 ' HG ' ' O ' ' B' ' 84' ' ' PHE . 90.8 mt -60.31 -43.18 96.56 Favored 'General case' 0 N--CA 1.463 0.201 0 CA-C-O 121.167 0.508 . . . . 0.0 110.502 176.51 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -63.51 -35.53 80.76 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.408 177.697 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 90' ' ' ALA . . . . . 0.477 ' O ' HG13 ' B' ' 94' ' ' ILE . . . -69.71 -41.42 75.38 Favored 'General case' 0 N--CA 1.451 -0.402 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.317 176.409 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 91' ' ' MET . . . . . 0.648 ' O ' HG12 ' B' ' 95' ' ' ILE . 67.4 mtt -53.05 -56.79 13.51 Favored 'General case' 0 CA--C 1.516 -0.328 0 CA-C-N 116.295 -0.411 . . . . 0.0 109.993 177.717 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 92' ' ' LEU . . . . . . . . . . . . . 47.6 tp -53.38 -48.0 69.0 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.332 -0.849 . . . . 0.0 111.248 179.465 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 93' ' ' ARG . . . . . . . . . . . . . 43.0 ttt180 -57.63 -38.32 74.82 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.826 -179.848 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 94' ' ' ILE . . . . . 0.631 ' O ' ' HG2' ' B' ' 98' ' ' ARG . 75.8 mt -76.57 -31.96 20.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 116.002 -0.544 . . . . 0.0 111.038 179.065 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 95' ' ' ILE . . . . . 0.648 HG12 ' O ' ' B' ' 91' ' ' MET . 30.2 mm -58.86 -36.67 62.44 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.301 0 CA-C-O 121.198 0.523 . . . . 0.0 109.715 176.054 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 96' ' ' ASN . . . . . . . . . . . . . 14.7 m120 -71.46 -39.0 71.24 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.601 175.568 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 97' ' ' ALA . . . . . . . . . . . . . . . -59.94 -38.47 82.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.306 0.574 . . . . 0.0 110.413 177.014 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 98' ' ' ARG . . . . . 0.631 ' HG2' ' O ' ' B' ' 94' ' ' ILE . 12.7 ptm180 -108.77 51.29 0.75 Allowed 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 108.605 -0.887 . . . . 0.0 108.605 178.596 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 99' ' ' LYS . . . . . 0.487 ' CB ' ' HE2' ' A' ' 74' ' ' LYS . 52.5 pttt -52.93 -28.9 25.64 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 114.39 -1.277 . . . . 0.0 111.072 179.455 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 100' ' ' GLU . . . . . . . . . . . . . 34.4 mm-40 44.05 35.02 1.06 Allowed 'General case' 0 N--CA 1.464 0.263 0 CA-C-N 113.5 -1.682 . . . . 0.0 113.073 174.517 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 101' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -63.35 -61.51 2.3 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 109.347 -0.612 . . . . 0.0 109.347 -179.798 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 102' ' ' LYS . . . . . 0.479 ' O ' ' HB2' ' B' ' 103' ' ' ARG . 46.8 mtmt 49.09 67.37 0.89 Allowed 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.458 -0.792 . . . . 0.0 111.057 176.094 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 103' ' ' ARG . . . . . 0.479 ' HB2' ' O ' ' B' ' 102' ' ' LYS . 27.9 mmm180 77.79 -40.92 0.33 Allowed 'General case' 0 N--CA 1.47 0.535 0 CA-C-N 115.422 -0.808 . . . . 0.0 112.71 178.726 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 104' ' ' ARG . . . . . . . . . . . . . 38.1 ttm180 . . . . . 0 C--O 1.245 0.827 0 CA-C-O 118.298 -0.858 . . . . 0.0 111.121 -177.003 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.076 0 CA-C-O 120.74 0.305 . . . . 0.0 110.41 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -58.91 -27.61 62.3 Favored Glycine 0 C--N 1.33 0.233 0 CA-C-N 116.177 -0.465 . . . . 0.0 113.051 -176.141 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.437 HD23 ' CB ' ' B' ' 57' ' ' THR . 10.6 mp -63.43 -34.51 77.9 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 120.675 0.274 . . . . 0.0 111.132 178.917 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 87.9 mt -86.76 -31.85 20.7 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.963 0.411 . . . . 0.0 110.599 -176.718 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -80.19 -16.9 53.8 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.868 178.13 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 81.28 19.76 66.07 Favored Glycine 0 N--CA 1.45 -0.419 0 C-N-CA 120.943 -0.646 . . . . 0.0 111.555 -179.313 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 7.8 t60 -116.31 65.87 0.71 Allowed 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 109.562 -0.533 . . . . 0.0 109.562 -176.722 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -115.07 152.23 18.18 Favored Glycine 0 N--CA 1.446 -0.688 0 C-N-CA 120.624 -0.798 . . . . 0.0 112.024 -178.443 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.45 ' HD2' ' SD ' ' A' ' 46' ' ' MET . 28.5 Cg_endo -63.6 157.33 51.92 Favored 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.74 2.293 . . . . 0.0 111.605 178.027 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 10.5 pt -57.86 -27.08 29.87 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 115.114 -0.948 . . . . 0.0 113.295 -170.536 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 9.9 ptt180 -65.28 -44.93 86.43 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.146 0.498 . . . . 0.0 110.426 174.09 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' MET . . . . . 0.569 ' O ' HG13 ' A' ' 50' ' ' ILE . 64.2 mtt -66.4 -31.19 71.8 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.747 176.411 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 91.4 t -57.61 -49.61 79.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.804 0.335 . . . . 0.0 110.422 177.329 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 11.2 mp -67.36 -30.67 70.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.033 177.807 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -65.13 -48.38 73.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.803 0.335 . . . . 0.0 110.853 176.761 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.569 HG13 ' O ' ' A' ' 46' ' ' MET . 53.8 mt -66.36 -35.79 75.79 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.141 -0.481 . . . . 0.0 109.96 178.257 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 11.7 tp -59.21 -54.31 48.31 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.668 -0.696 . . . . 0.0 110.718 177.243 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . 0.428 ' O ' ' HD1' ' A' ' 56' ' ' PHE . . . -60.08 -43.6 95.39 Favored 'General case' 0 CA--C 1.518 -0.278 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.224 178.936 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 0.428 ' HB2' ' HB2' ' B' ' 53' ' ' PHE . 36.7 t80 -48.78 -64.26 0.85 Allowed 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.497 -0.774 . . . . 0.0 110.726 175.509 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 93.2 mt -58.94 -42.4 89.72 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.598 -177.042 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 24.7 mmt180 -65.68 -49.66 67.77 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 112.204 0.446 . . . . 0.0 112.204 -178.274 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . 0.457 ' CZ ' ' HA ' ' B' ' 84' ' ' PHE . 76.5 m-85 -76.67 -7.07 54.57 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.741 0.305 . . . . 0.0 111.257 -177.696 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' THR . . . . . 0.446 ' HA ' ' HG2' ' B' ' 46' ' ' MET . 77.3 p -105.42 9.62 33.6 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.018 0.437 . . . . 0.0 110.816 174.026 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . 60.9 34.91 19.41 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-N 115.486 -0.779 . . . . 0.0 112.399 175.908 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 58.3 mt -109.94 145.0 17.05 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 N-CA-C 109.385 -0.598 . . . . 0.0 109.385 172.707 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -59.49 126.26 81.89 Favored Pre-proline 0 N--CA 1.453 -0.297 0 N-CA-C 109.218 -0.66 . . . . 0.0 109.218 174.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . 0.501 ' O ' ' HB2' ' A' ' 65' ' ' LEU . 43.0 Cg_endo -66.9 -2.61 8.08 Favored 'Trans proline' 0 CA--C 1.529 0.242 0 C-N-CA 122.808 2.339 . . . . 0.0 113.816 -173.369 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' SER . . . . . 0.481 ' O ' HG12 ' A' ' 66' ' ' ILE . 43.0 t 70.95 142.72 0.05 Allowed 'General case' 0 N--CA 1.463 0.178 0 CA-C-O 121.724 0.773 . . . . 0.0 111.451 177.655 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 87.3 mt -67.59 -18.21 64.91 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.331 -0.849 . . . . 0.0 110.955 -178.682 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -70.0 -48.68 38.9 Favored Glycine 0 N--CA 1.449 -0.446 0 C-N-CA 120.865 -0.683 . . . . 0.0 111.884 177.092 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.501 ' HB2' ' O ' ' A' ' 61' ' ' PRO . 4.2 mm? -65.76 -37.83 87.4 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 110.053 -0.351 . . . . 0.0 110.053 177.904 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.481 HG12 ' O ' ' A' ' 62' ' ' SER . 50.0 mm -64.95 -33.96 67.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.616 177.647 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 10.7 t30 -65.17 -39.64 93.21 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.756 178.255 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.468 ' O ' HG22 ' A' ' 72' ' ' VAL . 54.1 mtt180 -82.51 -22.71 34.95 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.503 178.186 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' TRP . . . . . 0.521 ' NE1' HD13 ' B' ' 95' ' ' ILE . 10.5 t90 -56.43 -52.07 66.04 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.468 -0.787 . . . . 0.0 111.105 -178.446 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -76.53 -10.88 85.59 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.858 -0.687 . . . . 0.0 112.475 177.64 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 43.0 t -82.75 -22.17 34.44 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.739 0.304 . . . . 0.0 110.251 179.017 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.468 HG22 ' O ' ' A' ' 68' ' ' ARG . 48.6 t -61.71 136.42 25.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.063 177.783 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -57.42 130.83 51.57 Favored Glycine 0 N--CA 1.443 -0.849 0 N-CA-C 110.591 -1.003 . . . . 0.0 110.591 174.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.511 ' HE2' ' HA ' ' B' ' 99' ' ' LYS . 30.6 mmtm -66.82 -28.23 68.2 Favored 'General case' 0 C--N 1.319 -0.724 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 -173.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 58.2 tptt -73.34 -47.92 38.53 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.15 -0.932 . . . . 0.0 109.977 172.912 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . 0.472 ' O ' HG13 ' A' ' 80' ' ' ILE . 19.1 tp10 -59.84 -41.35 91.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.353 -0.839 . . . . 0.0 110.588 -179.198 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -56.51 -42.23 78.03 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.782 179.233 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 66.1 mtt -62.8 -39.6 94.77 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.181 178.615 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 -68.92 -40.58 78.98 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.695 179.074 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . 0.472 HG13 ' O ' ' A' ' 76' ' ' GLU . 87.8 mt -62.07 -47.68 92.02 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.504 177.61 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . 0.451 HG13 ' HB2' ' B' ' 92' ' ' LEU . 43.9 mm -64.09 -38.53 82.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.178 -179.555 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . 0.418 ' HD2' ' C ' ' A' ' 82' ' ' LYS . 2.6 tmmm? -61.18 -49.49 76.96 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 109.44 -0.578 . . . . 0.0 109.44 177.135 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -64.42 -36.87 85.58 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.46 -0.791 . . . . 0.0 110.586 179.626 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . 0.53 ' O ' ' HG ' ' A' ' 88' ' ' LEU . 1.6 t80 -60.53 -53.01 62.68 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.045 178.563 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . 0.431 ' HZ2' ' HB1' ' B' ' 89' ' ' ALA . 98.4 mttt -61.24 -37.34 82.73 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.053 179.717 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 26.6 tttm -57.45 -57.47 12.51 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.896 178.343 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . 0.574 ' O ' ' HG2' ' A' ' 91' ' ' MET . 0.6 OUTLIER -66.78 -30.11 70.23 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.854 -0.612 . . . . 0.0 111.289 -177.565 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.53 ' HG ' ' O ' ' A' ' 84' ' ' PHE . 62.4 mt -60.93 -43.32 98.81 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.817 0.342 . . . . 0.0 110.339 174.95 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . 0.428 ' HB1' ' HZ2' ' B' ' 85' ' ' LYS . . . -63.47 -37.2 86.38 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.657 179.243 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . 0.547 ' O ' HG13 ' A' ' 94' ' ' ILE . . . -65.89 -49.97 66.18 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.751 177.825 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' MET . . . . . 0.574 ' HG2' ' O ' ' A' ' 87' ' ' ASP . 93.8 mmm -60.82 -37.95 83.74 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.356 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.428 ' HB2' HG13 ' B' ' 81' ' ' ILE . 54.6 tp -59.81 -45.46 92.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.684 -0.689 . . . . 0.0 111.089 177.523 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 72.3 ttt180 -64.59 -30.28 71.3 Favored 'General case' 0 N--CA 1.443 -0.779 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.555 -178.338 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . 0.547 HG13 ' O ' ' A' ' 90' ' ' ALA . 22.1 mt -71.18 -35.47 58.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 C-N-CA 121.01 -0.276 . . . . 0.0 110.445 176.345 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . 0.536 HD13 ' NE1' ' B' ' 69' ' ' TRP . 13.4 mm -53.88 -48.55 62.51 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.343 0 CA-C-O 121.508 0.67 . . . . 0.0 109.335 173.589 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 3.9 t-20 -74.36 -23.26 58.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.317 -0.856 . . . . 0.0 111.211 -177.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -66.72 -38.15 86.14 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.319 0.581 . . . . 0.0 109.898 175.184 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . 0.513 ' HG2' ' O ' ' A' ' 94' ' ' ILE . 15.0 ptm180 -100.54 41.73 1.16 Allowed 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.378 -0.828 . . . . 0.0 109.435 177.662 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . 0.488 ' HA ' ' HE2' ' B' ' 74' ' ' LYS . 21.1 pttp -61.83 -29.02 69.89 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-N 115.05 -0.977 . . . . 0.0 111.649 -178.295 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . 0.412 ' HB3' ' O ' ' A' ' 99' ' ' LYS . 36.3 tt0 70.79 -57.28 0.6 Allowed 'General case' 0 N--CA 1.468 0.426 0 O-C-N 124.064 0.852 . . . . 0.0 110.269 -175.388 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 49.2 tptt 49.99 46.52 24.34 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.736 0.779 . . . . 0.0 110.95 178.753 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 46.5 mmtm -101.73 -1.83 31.6 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.409 -0.814 . . . . 0.0 108.992 173.225 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 29.8 mmt180 -109.72 -174.05 2.4 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 114.827 -1.079 . . . . 0.0 108.858 174.068 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . 0.51 ' HA ' ' NE ' ' A' ' 104' ' ' ARG . 4.1 mmp_? . . . . . 0 C--O 1.25 1.099 0 CA-C-O 118.348 -0.834 . . . . 0.0 110.58 -179.494 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.08 0 CA-C-O 120.734 0.302 . . . . 0.0 110.589 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 36' ' ' GLY . . . . . . . . . . . . . . . -58.51 -27.41 60.99 Favored Glycine 0 C--O 1.228 -0.269 0 CA-C-N 116.206 -0.452 . . . . 0.0 113.149 -176.155 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . 0.423 HD23 ' CB ' ' A' ' 57' ' ' THR . 10.6 mp -63.55 -34.75 78.49 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.614 0.245 . . . . 0.0 111.138 178.827 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 87.8 mt -86.53 -31.94 20.99 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.961 0.41 . . . . 0.0 110.614 -176.784 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -80.14 -16.63 54.48 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.805 178.157 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . 81.02 19.54 67.09 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.922 -0.656 . . . . 0.0 111.586 -179.384 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 41' ' ' HIS . . . . . . . . . . . . . 7.8 t60 -116.07 66.29 0.71 Allowed 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 109.523 -0.547 . . . . 0.0 109.523 -176.882 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 42' ' ' GLY . . . . . . . . . . . . . . . -115.39 152.16 18.17 Favored Glycine 0 N--CA 1.446 -0.697 0 C-N-CA 120.662 -0.78 . . . . 0.0 112.042 -178.551 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 43' ' ' PRO . . . . . 0.441 ' HD2' ' SD ' ' B' ' 46' ' ' MET . 28.5 Cg_endo -63.38 157.25 51.47 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.779 2.319 . . . . 0.0 111.681 177.83 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 10.5 pt -57.91 -27.15 30.22 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 115.083 -0.962 . . . . 0.0 113.178 -170.502 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 9.9 ptt180 -65.34 -44.84 86.45 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.121 0.486 . . . . 0.0 110.423 174.142 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 46' ' ' MET . . . . . 0.549 ' O ' HG13 ' B' ' 50' ' ' ILE . 64.4 mtt -66.36 -31.18 71.8 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.75 176.372 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 47' ' ' VAL . . . . . . . . . . . . . 93.2 t -57.67 -49.66 79.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.692 0.282 . . . . 0.0 110.421 177.443 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 11.2 mp -67.25 -30.75 70.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.067 177.791 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -65.17 -48.33 73.88 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.529 -0.305 . . . . 0.0 110.821 176.848 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 50' ' ' ILE . . . . . 0.549 HG13 ' O ' ' B' ' 46' ' ' MET . 53.9 mt -66.23 -35.9 76.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-O 121.104 0.478 . . . . 0.0 110.037 178.099 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 11.7 tp -59.15 -54.38 47.57 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.724 177.208 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 52' ' ' ALA . . . . . 0.422 ' O ' ' HD1' ' B' ' 56' ' ' PHE . . . -60.06 -43.58 95.31 Favored 'General case' 0 CA--C 1.518 -0.28 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.26 178.93 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 53' ' ' PHE . . . . . 0.428 ' HB2' ' HB2' ' A' ' 53' ' ' PHE . 36.6 t80 -48.79 -64.39 0.82 Allowed 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.39 -0.823 . . . . 0.0 110.692 175.57 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 54' ' ' LEU . . . . . . . . . . . . . 93.5 mt -58.77 -42.51 89.15 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.565 -177.106 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 55' ' ' ARG . . . . . 0.405 ' HD3' ' HA ' ' B' ' 55' ' ' ARG . 24.8 mmt180 -65.7 -49.08 69.84 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 112.395 0.516 . . . . 0.0 112.395 -178.169 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 56' ' ' PHE . . . . . 0.422 ' HD1' ' O ' ' B' ' 52' ' ' ALA . 76.3 m-85 -77.17 -6.84 54.49 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.778 0.323 . . . . 0.0 111.305 -177.939 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 57' ' ' THR . . . . . 0.437 ' CB ' HD23 ' A' ' 37' ' ' LEU . 77.9 p -105.86 9.76 32.72 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.05 0.452 . . . . 0.0 110.88 174.033 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . 61.06 34.85 19.03 Favored 'General case' 0 C--O 1.236 0.367 0 CA-C-N 115.414 -0.812 . . . . 0.0 112.403 175.776 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 59' ' ' ILE . . . . . . . . . . . . . 57.4 mt -110.24 144.39 18.43 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 N-CA-C 109.543 -0.54 . . . . 0.0 109.543 172.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -59.3 126.09 80.91 Favored Pre-proline 0 C--N 1.33 -0.278 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 175.257 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 61' ' ' PRO . . . . . 0.507 ' O ' ' HB2' ' B' ' 65' ' ' LEU . 42.4 Cg_endo -66.83 -2.62 8.02 Favored 'Trans proline' 0 CA--C 1.529 0.246 0 C-N-CA 122.854 2.369 . . . . 0.0 113.857 -173.036 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 62' ' ' SER . . . . . 0.458 ' O ' HG12 ' B' ' 66' ' ' ILE . 44.7 t 71.19 142.09 0.05 Allowed 'General case' 0 N--CA 1.463 0.212 0 CA-C-O 121.658 0.742 . . . . 0.0 111.4 177.368 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 87.2 mt -67.23 -17.89 65.0 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.488 -0.778 . . . . 0.0 111.034 -178.778 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -70.12 -48.76 37.54 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.822 -0.704 . . . . 0.0 111.772 176.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 65' ' ' LEU . . . . . 0.507 ' HB2' ' O ' ' B' ' 61' ' ' PRO . 4.2 mm? -65.71 -37.95 87.85 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 110.081 -0.34 . . . . 0.0 110.081 177.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 66' ' ' ILE . . . . . 0.458 HG12 ' O ' ' B' ' 62' ' ' SER . 50.0 mm -64.84 -33.96 67.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-O 121.169 0.509 . . . . 0.0 110.757 177.602 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 67' ' ' ASN . . . . . . . . . . . . . 10.7 t30 -65.0 -39.73 93.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.769 178.115 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 68' ' ' ARG . . . . . 0.46 ' O ' HG22 ' B' ' 72' ' ' VAL . 54.6 mtt-85 -82.65 -22.67 34.57 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.459 178.398 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 69' ' ' TRP . . . . . 0.536 ' NE1' HD13 ' A' ' 95' ' ' ILE . 10.6 t90 -56.42 -52.36 64.94 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.431 -0.804 . . . . 0.0 111.067 -178.526 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . -76.09 -11.18 85.03 Favored Glycine 0 N--CA 1.45 -0.411 0 C-N-CA 120.862 -0.685 . . . . 0.0 112.5 177.558 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 71' ' ' SER . . . . . . . . . . . . . 43.9 t -82.65 -21.81 34.87 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.671 0.272 . . . . 0.0 110.271 179.039 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 72' ' ' VAL . . . . . 0.46 HG22 ' O ' ' B' ' 68' ' ' ARG . 48.4 t -61.95 136.32 25.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.018 177.715 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 73' ' ' GLY . . . . . . . . . . . . . . . -57.39 131.17 51.92 Favored Glycine 0 N--CA 1.444 -0.811 0 N-CA-C 110.585 -1.006 . . . . 0.0 110.585 174.912 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 74' ' ' LYS . . . . . 0.488 ' HE2' ' HA ' ' A' ' 99' ' ' LYS . 30.7 mmtm -67.13 -27.77 67.59 Favored 'General case' 0 C--N 1.32 -0.711 0 N-CA-C 109.387 -0.597 . . . . 0.0 109.387 -173.914 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 75' ' ' LYS . . . . . . . . . . . . . 58.2 tptt -73.92 -48.07 33.28 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.17 -0.923 . . . . 0.0 109.822 173.127 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 76' ' ' GLU . . . . . 0.49 ' O ' HG13 ' B' ' 80' ' ' ILE . 19.6 tp10 -59.68 -41.15 90.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.314 -0.857 . . . . 0.0 110.652 -179.378 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 77' ' ' ALA . . . . . . . . . . . . . . . -56.6 -42.06 78.07 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.774 179.109 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 78' ' ' MET . . . . . . . . . . . . . 66.1 mtt -63.02 -39.65 95.39 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.279 178.73 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 79' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 -68.65 -41.05 79.9 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.665 178.869 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 80' ' ' ILE . . . . . 0.49 HG13 ' O ' ' B' ' 76' ' ' GLU . 87.5 mt -61.6 -47.77 91.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.556 177.506 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 81' ' ' ILE . . . . . 0.428 HG13 ' HB2' ' A' ' 92' ' ' LEU . 44.0 mm -64.22 -38.21 81.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.149 -179.519 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 82' ' ' LYS . . . . . 0.414 ' C ' ' HD2' ' B' ' 82' ' ' LYS . 2.6 tmmm? -61.56 -49.51 76.37 Favored 'General case' 0 C--O 1.234 0.242 0 N-CA-C 109.382 -0.599 . . . . 0.0 109.382 177.256 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 83' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -64.11 -37.01 85.91 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.492 -0.776 . . . . 0.0 110.583 179.514 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 84' ' ' PHE . . . . . 0.514 ' O ' ' HG ' ' B' ' 88' ' ' LEU . 1.6 t80 -60.5 -53.15 61.06 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.064 178.649 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 85' ' ' LYS . . . . . 0.428 ' HZ2' ' HB1' ' A' ' 89' ' ' ALA . 98.4 mttt -61.09 -37.5 82.94 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.913 179.762 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 86' ' ' LYS . . . . . . . . . . . . . 26.7 tttm -57.32 -57.58 11.99 Favored 'General case' 0 C--O 1.236 0.347 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.978 178.358 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 87' ' ' ASP . . . . . 0.574 ' O ' ' HG2' ' B' ' 91' ' ' MET . 0.6 OUTLIER -66.64 -30.25 70.48 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.193 -177.495 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 88' ' ' LEU . . . . . 0.514 ' HG ' ' O ' ' B' ' 84' ' ' PHE . 62.8 mt -60.84 -43.41 98.33 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.94 0.4 . . . . 0.0 110.395 175.008 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 89' ' ' ALA . . . . . 0.431 ' HB1' ' HZ2' ' A' ' 85' ' ' LYS . . . -63.3 -36.99 85.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.73 179.203 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 90' ' ' ALA . . . . . 0.55 ' O ' HG13 ' B' ' 94' ' ' ILE . . . -66.35 -49.68 66.13 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.741 178.124 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 91' ' ' MET . . . . . 0.574 ' HG2' ' O ' ' B' ' 87' ' ' ASP . 94.2 mmm -61.01 -37.94 84.31 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.311 179.796 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 92' ' ' LEU . . . . . 0.451 ' HB2' HG13 ' A' ' 81' ' ' ILE . 54.7 tp -59.88 -45.29 92.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.697 -0.683 . . . . 0.0 111.128 177.505 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 93' ' ' ARG . . . . . . . . . . . . . 72.3 ttt180 -64.5 -30.5 71.53 Favored 'General case' 0 N--CA 1.442 -0.86 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.58 -178.468 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 94' ' ' ILE . . . . . 0.55 HG13 ' O ' ' B' ' 90' ' ' ALA . 22.3 mt -71.13 -35.5 58.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.584 -0.28 . . . . 0.0 110.396 176.52 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 95' ' ' ILE . . . . . 0.521 HD13 ' NE1' ' A' ' 69' ' ' TRP . 13.5 mm -53.84 -48.64 61.87 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.266 0 CA-C-O 121.53 0.681 . . . . 0.0 109.36 173.687 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 96' ' ' ASN . . . . . . . . . . . . . 4.3 t-20 -74.63 -22.45 58.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.25 -0.886 . . . . 0.0 111.143 -177.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 97' ' ' ALA . . . . . . . . . . . . . . . -67.45 -37.61 83.22 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.347 0.594 . . . . 0.0 109.983 175.19 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 98' ' ' ARG . . . . . 0.516 ' HG2' ' O ' ' B' ' 94' ' ' ILE . 15.0 ptm180 -100.87 41.83 1.16 Allowed 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.198 -0.91 . . . . 0.0 109.353 177.429 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 99' ' ' LYS . . . . . 0.511 ' HA ' ' HE2' ' A' ' 74' ' ' LYS . 21.1 pttp -61.89 -28.98 69.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.169 -0.923 . . . . 0.0 111.707 -178.222 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 100' ' ' GLU . . . . . 0.416 ' HB3' ' O ' ' B' ' 99' ' ' LYS . 37.3 tt0 70.85 -57.83 0.58 Allowed 'General case' 0 N--CA 1.466 0.368 0 O-C-N 124.001 0.813 . . . . 0.0 110.197 -175.286 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 101' ' ' LYS . . . . . . . . . . . . . 49.2 tptt 50.01 46.37 24.5 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-O 121.699 0.761 . . . . 0.0 111.059 178.804 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 102' ' ' LYS . . . . . . . . . . . . . 46.6 mmtm -101.64 -1.78 31.93 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.265 -0.88 . . . . 0.0 109.051 173.061 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 103' ' ' ARG . . . . . . . . . . . . . 28.8 mmt180 -109.77 -174.2 2.44 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 114.734 -1.121 . . . . 0.0 108.861 173.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 104' ' ' ARG . . . . . 0.525 ' NE ' ' HA ' ' B' ' 104' ' ' ARG . 4.1 mmp_? . . . . . 0 C--O 1.249 1.026 0 CA-C-O 118.169 -0.92 . . . . 0.0 110.391 -179.642 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' GLY . . . . . 0.746 ' HA3' ' SD ' ' A' ' 46' ' ' MET . . . . . . . . 0 N--CA 1.45 -0.391 0 N-CA-C 111.803 -0.519 . . . . 0.0 111.803 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.436 ' O ' HG23 ' A' ' 47' ' ' VAL . 62.8 Cg_endo -74.24 -176.19 2.57 Favored 'Trans proline' 0 N--CA 1.462 -0.325 0 C-N-CA 122.239 1.959 . . . . 0.0 112.145 178.143 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 19.2 pt -57.29 -28.78 31.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-O 120.821 0.343 . . . . 0.0 111.763 -178.349 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' ARG . . . . . 0.506 ' HA ' HD13 ' A' ' 80' ' ' ILE . 97.0 mtt180 -62.45 -43.46 98.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.091 0.472 . . . . 0.0 110.653 176.635 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' MET . . . . . 0.746 ' SD ' ' HA3' ' A' ' 42' ' ' GLY . 54.5 mtt -73.79 -28.2 61.52 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.712 178.798 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.436 HG23 ' O ' ' A' ' 43' ' ' PRO . 86.0 t -58.55 -48.97 84.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.765 0.317 . . . . 0.0 110.434 176.573 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 62.0 mt -65.99 -35.49 80.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.679 178.427 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -60.95 -47.53 86.02 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.009 176.008 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.559 HG13 ' O ' ' A' ' 46' ' ' MET . 66.4 mt -65.32 -33.83 66.34 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.177 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.156 178.375 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.546 ' O ' ' HG2' ' A' ' 55' ' ' ARG . 14.4 tp -62.31 -52.71 62.57 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.423 178.162 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.54 -38.6 81.47 Favored 'General case' 0 CA--C 1.518 -0.277 0 CA-C-O 120.873 0.368 . . . . 0.0 110.456 178.882 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.451 ' HB3' ' O ' ' A' ' 50' ' ' ILE . 75.2 t80 -52.34 -57.67 9.06 Favored 'General case' 0 N--CA 1.451 -0.414 0 CA-C-N 115.631 -0.713 . . . . 0.0 109.27 172.817 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.445 HD13 ' H ' ' A' ' 62' ' ' SER . 93.2 mt -69.53 -6.57 31.67 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.111 -0.495 . . . . 0.0 112.301 -178.608 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.546 ' HG2' ' O ' ' A' ' 51' ' ' LEU . 36.0 mmt180 -85.81 -42.57 14.05 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.925 0.393 . . . . 0.0 110.897 175.355 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 40.6 m-85 -100.82 -8.18 22.89 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.931 -176.345 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' THR . . . . . 0.558 ' HA ' ' HG2' ' B' ' 46' ' ' MET . 43.7 p -107.34 -12.37 15.35 Favored 'General case' 0 C--N 1.327 -0.396 0 C-N-CA 120.566 -0.454 . . . . 0.0 110.993 174.862 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -146.26 170.15 17.33 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.979 -173.977 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 70.4 mt -105.04 -18.16 7.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-O 121.943 0.878 . . . . 0.0 110.338 -179.276 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 59.4 tptt -141.9 109.64 6.02 Favored Pre-proline 0 C--N 1.306 -1.292 0 CA-C-N 114.5 -1.227 . . . . 0.0 110.657 -178.933 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 17.1 Cg_exo -68.24 154.57 71.92 Favored 'Trans proline' 0 C--O 1.234 0.304 0 C-N-CA 122.665 2.243 . . . . 0.0 111.679 175.715 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' SER . . . . . 0.445 ' H ' HD13 ' A' ' 54' ' ' LEU . 12.8 m -69.7 139.78 53.47 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.629 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 84.5 mt -63.46 -21.94 66.6 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.38 -0.827 . . . . 0.0 112.076 -173.088 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -62.68 -45.8 95.02 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.576 -0.821 . . . . 0.0 111.556 175.69 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -66.19 -39.58 89.81 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 109.713 -0.477 . . . . 0.0 109.713 176.79 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 50.4 mm -65.01 -34.07 68.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.044 179.681 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 8.7 t30 -73.35 -33.86 65.31 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.883 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 65.6 ttt180 -90.85 -8.46 49.48 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.386 0.613 . . . . 0.0 110.152 -179.229 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 69' ' ' TRP . . . . . 0.594 ' NE1' HD11 ' B' ' 95' ' ' ILE . 11.3 t90 -60.95 -47.9 84.31 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.144 -0.935 . . . . 0.0 110.892 -178.967 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -73.71 -5.05 67.79 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.832 -0.699 . . . . 0.0 112.421 178.492 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 33.4 t -89.24 -8.47 53.41 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.038 0.447 . . . . 0.0 109.906 179.091 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 70.0 t -72.08 127.26 33.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.092 -0.504 . . . . 0.0 109.873 176.368 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -62.83 119.41 17.32 Favored Glycine 0 N--CA 1.442 -0.96 0 N-CA-C 110.292 -1.123 . . . . 0.0 110.292 174.563 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.494 ' O ' ' HG3' ' A' ' 78' ' ' MET . 8.5 ptpp? -63.53 -23.41 67.38 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 120.584 0.231 . . . . 0.0 111.146 -172.949 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 21.6 tptm -66.01 -49.96 65.93 Favored 'General case' 0 C--N 1.331 -0.233 0 N-CA-C 109.654 -0.498 . . . . 0.0 109.654 173.102 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 76' ' ' GLU . . . . . 0.504 ' O ' HG13 ' A' ' 80' ' ' ILE . 18.5 tp10 -61.59 -40.63 95.45 Favored 'General case' 0 N--CA 1.453 -0.308 0 CA-C-N 115.648 -0.706 . . . . 0.0 109.442 176.605 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.423 ' O ' HG12 ' A' ' 81' ' ' ILE . . . -55.82 -45.42 78.34 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.824 177.377 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 78' ' ' MET . . . . . 0.494 ' HG3' ' O ' ' A' ' 74' ' ' LYS . 66.5 mtt -57.56 -41.91 81.99 Favored 'General case' 0 C--O 1.236 0.364 0 CA-C-O 121.209 0.528 . . . . 0.0 110.481 177.578 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -69.02 -46.41 68.05 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.687 179.288 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.506 HD13 ' HA ' ' A' ' 45' ' ' ARG . 86.3 mt -58.26 -53.84 40.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.98 179.194 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.452 HG23 ' HB3' ' B' ' 88' ' ' LEU . 44.6 mm -58.42 -38.77 71.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.025 -178.046 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 3.6 ttmp? -61.11 -51.87 67.29 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.707 177.892 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 53.0 mtmt -69.23 -28.57 66.47 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.961 -179.114 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 84' ' ' PHE . . . . . 0.453 ' O ' ' HG ' ' A' ' 88' ' ' LEU . 0.9 OUTLIER -65.5 -49.72 67.95 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.878 -0.601 . . . . 0.0 109.729 178.498 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -62.4 -32.57 73.42 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.673 178.098 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 3.8 mmmp? -65.57 -42.66 91.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.896 176.793 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -67.05 -39.16 86.85 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 109.608 -0.516 . . . . 0.0 109.608 179.354 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.453 ' HG ' ' O ' ' A' ' 84' ' ' PHE . 97.0 mt -63.77 -40.69 97.3 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.93 177.422 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -62.85 -42.29 99.68 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.593 178.555 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 90' ' ' ALA . . . . . 0.543 ' O ' HG13 ' A' ' 94' ' ' ILE . . . -67.15 -43.32 82.6 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.094 176.231 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 91' ' ' MET . . . . . 0.58 ' O ' HG12 ' A' ' 95' ' ' ILE . 37.7 ttm -53.01 -54.58 33.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.394 177.876 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.423 ' HB2' HG13 ' B' ' 81' ' ' ILE . 63.9 tp -52.32 -50.78 61.56 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.485 -0.78 . . . . 0.0 111.082 178.131 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 79.7 ttt180 -56.52 -43.27 79.62 Favored 'General case' 0 N--CA 1.445 -0.701 0 CA-C-N 115.253 -0.885 . . . . 0.0 111.265 -178.404 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 94' ' ' ILE . . . . . 0.622 ' O ' ' HG2' ' A' ' 98' ' ' ARG . 52.3 mt -73.2 -35.26 46.8 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.487 0 CA-C-N 116.473 -0.33 . . . . 0.0 111.226 -178.026 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.618 HD11 ' NE1' ' B' ' 69' ' ' TRP . 25.2 mm -57.84 -42.91 83.25 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.338 0 CA-C-O 121.289 0.566 . . . . 0.0 109.575 175.023 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 94.6 m-20 -60.98 -38.83 87.36 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.334 -0.848 . . . . 0.0 110.518 176.799 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -80.29 -17.47 52.01 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.751 -178.479 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 98' ' ' ARG . . . . . 0.622 ' HG2' ' O ' ' A' ' 94' ' ' ILE . 3.7 mmp_? . . . . . 0 CA--C 1.519 -0.235 0 CA-C-O 121.103 0.478 . . . . 0.0 110.095 178.675 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 42' ' ' GLY . . . . . 0.739 ' HA3' ' SD ' ' B' ' 46' ' ' MET . . . . . . . . 0 N--CA 1.449 -0.459 0 N-CA-C 111.914 -0.474 . . . . 0.0 111.914 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 43' ' ' PRO . . . . . 0.448 ' O ' HG23 ' B' ' 47' ' ' VAL . 61.7 Cg_endo -74.37 -176.19 2.6 Favored 'Trans proline' 0 N--CA 1.461 -0.405 0 C-N-CA 122.268 1.979 . . . . 0.0 112.127 178.108 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 19.3 pt -57.38 -28.66 31.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-O 120.811 0.339 . . . . 0.0 111.785 -178.372 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 45' ' ' ARG . . . . . 0.511 ' HA ' HD13 ' B' ' 80' ' ' ILE . 96.8 mtt180 -62.52 -43.42 98.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.139 0.495 . . . . 0.0 110.614 176.643 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 46' ' ' MET . . . . . 0.739 ' SD ' ' HA3' ' B' ' 42' ' ' GLY . 55.1 mtt -73.74 -28.37 61.65 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.738 178.838 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 47' ' ' VAL . . . . . 0.448 HG23 ' O ' ' B' ' 43' ' ' PRO . 86.9 t -58.37 -49.07 83.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.733 0.301 . . . . 0.0 110.454 176.587 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 61.9 mt -65.8 -35.59 81.12 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.693 178.395 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -60.91 -47.74 85.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.976 175.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 50' ' ' ILE . . . . . 0.538 HG13 ' O ' ' B' ' 46' ' ' MET . 66.0 mt -65.07 -33.89 66.84 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.262 178.209 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 51' ' ' LEU . . . . . 0.554 ' O ' ' HG2' ' B' ' 55' ' ' ARG . 14.4 tp -62.31 -52.58 63.12 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.485 178.188 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.68 -38.69 82.24 Favored 'General case' 0 CA--C 1.518 -0.261 0 CA-C-O 120.895 0.379 . . . . 0.0 110.41 178.897 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 53' ' ' PHE . . . . . 0.451 ' HB3' ' O ' ' B' ' 50' ' ' ILE . 75.5 t80 -52.16 -57.64 9.01 Favored 'General case' 0 N--CA 1.451 -0.389 0 CA-C-N 115.591 -0.731 . . . . 0.0 109.319 172.686 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 54' ' ' LEU . . . . . 0.432 HD13 ' H ' ' B' ' 62' ' ' SER . 94.2 mt -69.6 -6.74 33.13 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.104 -0.498 . . . . 0.0 112.213 -178.439 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 55' ' ' ARG . . . . . 0.554 ' HG2' ' O ' ' B' ' 51' ' ' LEU . 36.3 mmt180 -85.57 -42.87 13.99 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.915 0.388 . . . . 0.0 110.928 175.534 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 56' ' ' PHE . . . . . . . . . . . . . 41.0 m-85 -100.39 -8.63 23.07 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 116.081 -0.508 . . . . 0.0 112.006 -176.383 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 57' ' ' THR . . . . . 0.535 ' HA ' ' HG2' ' A' ' 46' ' ' MET . 44.2 p -106.89 -12.48 15.46 Favored 'General case' 0 C--N 1.328 -0.347 0 C-N-CA 120.547 -0.461 . . . . 0.0 111.014 174.966 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -146.64 169.71 18.43 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.945 -173.766 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 59' ' ' ILE . . . . . . . . . . . . . 70.1 mt -104.37 -18.39 6.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-O 122.015 0.912 . . . . 0.0 110.482 -179.115 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 59.5 tptt -141.85 109.25 6.0 Favored Pre-proline 0 C--N 1.307 -1.263 0 CA-C-N 114.485 -1.234 . . . . 0.0 110.647 -178.622 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 61' ' ' PRO . . . . . . . . . . . . . 17.0 Cg_exo -67.94 154.06 73.75 Favored 'Trans proline' 0 C--O 1.233 0.248 0 C-N-CA 122.738 2.292 . . . . 0.0 111.772 175.703 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 62' ' ' SER . . . . . 0.432 ' H ' HD13 ' B' ' 54' ' ' LEU . 12.7 m -69.44 139.58 54.02 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.757 -179.746 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 84.8 mt -63.05 -21.96 66.52 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 115.413 -0.812 . . . . 0.0 112.242 -173.071 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -62.82 -45.52 95.54 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.656 -0.783 . . . . 0.0 111.607 175.837 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -66.39 -39.55 89.11 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 109.747 -0.464 . . . . 0.0 109.747 176.614 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 66' ' ' ILE . . . . . . . . . . . . . 50.4 mm -65.03 -34.32 69.76 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 115.805 -0.634 . . . . 0.0 111.023 179.643 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 67' ' ' ASN . . . . . . . . . . . . . 8.7 t30 -72.83 -34.47 66.85 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.904 179.882 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 68' ' ' ARG . . . . . . . . . . . . . 65.5 ttt180 -90.33 -8.49 50.66 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.416 0.626 . . . . 0.0 110.153 -179.026 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 69' ' ' TRP . . . . . 0.618 ' NE1' HD11 ' A' ' 95' ' ' ILE . 11.3 t90 -60.87 -47.93 84.13 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.204 -0.907 . . . . 0.0 110.978 -178.965 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . -74.39 -4.2 68.51 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.352 178.54 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 71' ' ' SER . . . . . . . . . . . . . 33.1 t -89.46 -8.66 52.48 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 120.915 0.388 . . . . 0.0 109.965 178.538 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 72' ' ' VAL . . . . . . . . . . . . . 74.2 t -71.66 127.76 33.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.13 -0.486 . . . . 0.0 109.786 176.523 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 73' ' ' GLY . . . . . . . . . . . . . . . -63.44 119.85 18.37 Favored Glycine 0 N--CA 1.443 -0.859 0 N-CA-C 110.225 -1.15 . . . . 0.0 110.225 174.69 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 74' ' ' LYS . . . . . 0.488 ' O ' ' HG3' ' B' ' 78' ' ' MET . 8.4 ptpp? -63.78 -23.29 67.3 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.69 0.245 . . . . 0.0 111.14 -173.01 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 75' ' ' LYS . . . . . . . . . . . . . 21.6 tptm -65.92 -50.23 65.16 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 109.664 -0.495 . . . . 0.0 109.664 173.007 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 76' ' ' GLU . . . . . 0.508 ' O ' HG13 ' B' ' 80' ' ' ILE . 19.5 tp10 -61.35 -40.67 95.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.692 -0.685 . . . . 0.0 109.458 176.475 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 77' ' ' ALA . . . . . 0.408 ' O ' HG12 ' B' ' 81' ' ' ILE . . . -55.71 -45.43 77.9 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.771 177.509 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 78' ' ' MET . . . . . 0.488 ' HG3' ' O ' ' B' ' 74' ' ' LYS . 66.6 mtt -57.53 -42.08 82.17 Favored 'General case' 0 C--O 1.237 0.396 0 CA-C-O 121.149 0.5 . . . . 0.0 110.597 177.55 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 79' ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 -68.78 -46.68 68.09 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.683 -0.69 . . . . 0.0 110.634 179.19 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 80' ' ' ILE . . . . . 0.511 HD13 ' HA ' ' B' ' 45' ' ' ARG . 86.3 mt -58.02 -54.07 37.11 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.006 179.216 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 81' ' ' ILE . . . . . 0.443 HG23 ' HB3' ' A' ' 88' ' ' LEU . 44.7 mm -58.29 -38.73 70.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.951 -178.105 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 82' ' ' LYS . . . . . . . . . . . . . 3.7 ttmp? -61.22 -51.95 66.82 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.576 178.074 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 83' ' ' LYS . . . . . . . . . . . . . 53.0 mtmt -69.2 -28.35 66.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.015 -179.107 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 84' ' ' PHE . . . . . 0.475 ' O ' ' HG ' ' B' ' 88' ' ' LEU . 0.9 OUTLIER -65.68 -49.46 68.47 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.913 -0.585 . . . . 0.0 109.702 178.421 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 85' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -62.68 -32.4 73.46 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.651 178.223 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 86' ' ' LYS . . . . . . . . . . . . . 3.8 mmmp? -65.97 -41.97 90.47 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.917 176.865 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 87' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -67.69 -38.88 84.28 Favored 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 109.637 -0.505 . . . . 0.0 109.637 179.239 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 88' ' ' LEU . . . . . 0.475 ' HG ' ' O ' ' B' ' 84' ' ' PHE . 97.3 mt -64.1 -40.53 96.43 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.961 177.336 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -62.85 -42.56 99.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.575 178.572 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 90' ' ' ALA . . . . . 0.544 ' O ' HG13 ' B' ' 94' ' ' ILE . . . -66.83 -43.6 83.34 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.162 176.194 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 91' ' ' MET . . . . . 0.593 ' O ' HG12 ' B' ' 95' ' ' ILE . 37.5 ttm -52.81 -54.49 33.53 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.606 -0.724 . . . . 0.0 110.359 177.894 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 92' ' ' LEU . . . . . 0.444 ' HB2' HG13 ' A' ' 81' ' ' ILE . 63.7 tp -52.55 -50.4 62.99 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.486 -0.779 . . . . 0.0 111.087 178.193 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 93' ' ' ARG . . . . . . . . . . . . . 79.7 ttt180 -56.94 -43.27 81.33 Favored 'General case' 0 N--CA 1.446 -0.674 0 CA-C-N 115.28 -0.873 . . . . 0.0 111.191 -178.313 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 94' ' ' ILE . . . . . 0.605 ' O ' ' HG2' ' B' ' 98' ' ' ARG . 51.5 mt -73.05 -35.54 48.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-N 116.456 -0.338 . . . . 0.0 111.224 -178.215 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 95' ' ' ILE . . . . . 0.594 HD11 ' NE1' ' A' ' 69' ' ' TRP . 25.1 mm -57.62 -43.29 83.15 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.368 0 CA-C-O 121.372 0.605 . . . . 0.0 109.512 175.019 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 96' ' ' ASN . . . . . . . . . . . . . 94.5 m-20 -60.59 -38.88 86.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.436 -0.802 . . . . 0.0 110.545 176.843 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 97' ' ' ALA . . . . . . . . . . . . . . . -80.17 -17.4 52.54 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.719 -178.461 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 98' ' ' ARG . . . . . 0.605 ' HG2' ' O ' ' B' ' 94' ' ' ILE . 3.7 mmp_? . . . . . 0 CA--C 1.518 -0.256 0 CA-C-O 121.18 0.514 . . . . 0.0 110.13 178.675 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.5 0 N-CA-C 112.304 -0.318 . . . . 0.0 112.304 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.453 ' O ' HG23 ' A' ' 47' ' ' VAL . 50.7 Cg_endo -69.48 -171.56 0.46 Allowed 'Trans proline' 0 CA--C 1.531 0.335 0 C-N-CA 122.825 2.35 . . . . 0.0 113.017 -179.844 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.512 HD12 ' OE1' ' A' ' 76' ' ' GLU . 2.6 pt -43.54 -50.91 1.39 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.554 0 N-CA-C 113.553 0.945 . . . . 0.0 113.553 -176.806 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' ARG . . . . . 0.593 ' HG3' ' SD ' ' A' ' 46' ' ' MET . 12.2 ptt180 -59.63 -42.81 93.54 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.864 0.364 . . . . 0.0 111.879 179.892 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' MET . . . . . 0.63 ' O ' HG13 ' A' ' 50' ' ' ILE . 1.6 mpt? -68.97 -28.22 66.42 Favored 'General case' 0 C--N 1.324 -0.533 0 C-N-CA 121.045 -0.262 . . . . 0.0 110.981 178.394 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.453 HG23 ' O ' ' A' ' 43' ' ' PRO . 94.6 t -60.91 -42.01 91.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 121.433 0.635 . . . . 0.0 109.339 176.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 5.6 tp -65.27 -38.77 91.33 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 114.958 -1.019 . . . . 0.0 110.467 178.389 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -68.17 -44.99 74.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.249 178.068 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.63 HG13 ' O ' ' A' ' 46' ' ' MET . 67.0 mt -63.9 -32.7 58.14 Favored 'Isoleucine or valine' 0 C--O 1.233 0.213 0 CA-C-O 121.135 0.493 . . . . 0.0 109.927 178.374 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.519 ' O ' ' HG2' ' A' ' 55' ' ' ARG . 12.5 tp -57.3 -58.56 7.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.693 -0.685 . . . . 0.0 110.195 175.847 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -57.2 -39.48 75.49 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.995 -179.551 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 84.8 t80 -52.85 -58.99 5.09 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.623 -0.717 . . . . 0.0 109.873 174.471 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.44 HD13 ' H ' ' A' ' 62' ' ' SER . 91.8 mt -68.19 -11.87 59.99 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.933 -177.95 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.519 ' HG2' ' O ' ' A' ' 51' ' ' LEU . 26.3 mmm180 -82.18 -40.25 22.01 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.724 0.297 . . . . 0.0 111.379 178.427 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 56' ' ' PHE . . . . . 0.527 ' CZ ' ' HA ' ' B' ' 84' ' ' PHE . 61.2 m-85 -105.88 -8.45 17.68 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.292 -0.413 . . . . 0.0 112.067 -175.616 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 57' ' ' THR . . . . . 0.483 ' HA ' ' HG3' ' B' ' 46' ' ' MET . 48.9 p -102.41 -32.06 10.17 Favored 'General case' 0 C--N 1.325 -0.499 0 C-N-CA 120.215 -0.594 . . . . 0.0 110.897 174.592 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -131.9 -179.41 5.38 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.107 -173.223 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 49.3 mm -115.64 120.72 65.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 N-CA-C 109.245 -0.65 . . . . 0.0 109.245 176.227 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 87.9 tttt 66.88 103.42 0.03 OUTLIER Pre-proline 0 C--O 1.232 0.176 0 O-C-N 123.994 0.808 . . . . 0.0 111.048 -177.515 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 33.2 Cg_exo -61.53 152.01 76.18 Favored 'Trans proline' 0 C--O 1.234 0.308 0 C-N-CA 122.844 2.362 . . . . 0.0 112.08 178.122 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' SER . . . . . 0.451 ' HB3' HD23 ' A' ' 65' ' ' LEU . 33.4 t -58.81 138.37 57.25 Favored 'General case' 0 C--O 1.236 0.39 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.495 178.838 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 82.9 mt -60.96 -23.59 65.45 Favored 'General case' 0 C--O 1.224 -0.258 0 CA-C-N 115.307 -0.861 . . . . 0.0 112.207 -172.462 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -61.73 -43.27 99.46 Favored Glycine 0 C--O 1.237 0.339 0 C-N-CA 120.305 -0.95 . . . . 0.0 111.624 176.118 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.451 HD23 ' HB3' ' A' ' 62' ' ' SER . 3.3 mm? -68.52 -38.79 81.18 Favored 'General case' 0 C--O 1.221 -0.434 0 N-CA-C 109.696 -0.483 . . . . 0.0 109.696 176.211 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 48.8 mm -64.47 -36.14 76.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 115.989 -0.55 . . . . 0.0 111.197 179.592 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 86.1 m-20 -71.19 -38.67 72.1 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.289 179.702 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 70.6 ttt180 -87.76 -8.4 56.06 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.547 0.689 . . . . 0.0 110.151 -179.582 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' TRP . . . . . 0.683 ' NE1' HD11 ' B' ' 95' ' ' ILE . 18.0 t90 -57.16 -41.71 79.7 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 114.935 -1.03 . . . . 0.0 110.898 -179.837 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -81.63 -1.34 90.13 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.65 -0.786 . . . . 0.0 112.629 -178.899 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 26.2 t -88.75 -12.89 40.91 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.758 0.313 . . . . 0.0 110.28 -179.379 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 30.3 t -63.33 143.42 15.61 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.433 0 N-CA-C 108.798 -0.815 . . . . 0.0 108.798 174.47 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 73' ' ' GLY . . . . . 0.488 ' C ' ' HG2' ' A' ' 74' ' ' LYS . . . -72.55 17.62 1.49 Allowed Glycine 0 C--O 1.223 -0.575 0 CA-C-O 118.908 -0.94 . . . . 0.0 114.565 -170.334 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.488 ' HG2' ' C ' ' A' ' 73' ' ' GLY . 2.0 ptpp? 51.01 -65.68 0.0 OUTLIER 'General case' 0 N--CA 1.485 1.322 0 C-N-CA 125.114 1.366 . . . . 0.0 113.808 178.773 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.471 ' N ' ' O ' ' A' ' 73' ' ' GLY . 1.3 tmtp? -54.94 -51.21 66.81 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 108.852 -0.796 . . . . 0.0 108.852 169.803 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 76' ' ' GLU . . . . . 0.512 ' OE1' HD12 ' A' ' 44' ' ' ILE . 9.9 tt0 -48.2 -47.08 35.61 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 114.291 -1.322 . . . . 0.0 110.73 171.733 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -61.49 -35.54 77.95 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.182 -179.198 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 78' ' ' MET . . . . . 0.436 ' HG3' ' O ' ' A' ' 74' ' ' LYS . 65.2 mtt -58.03 -44.8 87.55 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 109.82 -0.437 . . . . 0.0 109.82 176.861 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 27.5 mm-40 -64.51 -43.85 92.79 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.488 -0.778 . . . . 0.0 111.091 177.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.483 HD13 ' HA ' ' A' ' 45' ' ' ARG . 73.3 mt -62.24 -52.21 63.03 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.851 179.218 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 40.8 mm -60.96 -35.01 62.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.782 -179.446 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.71 -51.9 67.42 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.137 177.192 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 59.6 mtpt -65.42 -34.15 77.63 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.777 178.894 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 84' ' ' PHE . . . . . 0.533 ' O ' ' HG ' ' A' ' 88' ' ' LEU . 1.7 t80 -60.53 -52.18 66.28 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.738 -0.664 . . . . 0.0 110.029 179.248 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -63.61 -35.21 79.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.116 179.219 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -64.43 -45.17 88.69 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.896 178.367 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -67.63 -38.65 84.2 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.309 -0.405 . . . . 0.0 109.938 -178.237 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.533 ' HG ' ' O ' ' A' ' 84' ' ' PHE . 91.6 mt -60.46 -40.3 90.7 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.731 176.607 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 89' ' ' ALA . . . . . 0.482 ' O ' ' HG3' ' A' ' 93' ' ' ARG . . . -62.1 -46.83 87.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.925 -179.567 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 90' ' ' ALA . . . . . 0.473 ' O ' HG13 ' A' ' 94' ' ' ILE . . . -63.36 -47.47 82.0 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.816 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 91' ' ' MET . . . . . 0.554 ' O ' HG12 ' A' ' 95' ' ' ILE . 0.0 OUTLIER -61.15 -38.49 86.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.923 -0.58 . . . . 0.0 111.308 -179.622 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 51.5 tp -58.94 -46.44 87.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.132 0.491 . . . . 0.0 110.894 177.143 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 93' ' ' ARG . . . . . 0.482 ' HG3' ' O ' ' A' ' 89' ' ' ALA . 90.2 mtt180 -61.22 -36.0 78.74 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.635 -179.724 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 94' ' ' ILE . . . . . 0.595 ' O ' ' HG3' ' A' ' 98' ' ' ARG . 60.5 mt -69.03 -37.06 76.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.847 179.106 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.677 HD11 ' NE1' ' B' ' 69' ' ' TRP . 25.9 mm -57.11 -45.57 84.29 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.214 0 CA-C-O 121.243 0.544 . . . . 0.0 109.962 176.608 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 96' ' ' ASN . . . . . 0.439 ' OD1' ' HB2' ' B' ' 74' ' ' LYS . 80.1 m-20 -60.34 -38.91 85.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.306 -0.861 . . . . 0.0 110.469 178.155 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -74.68 -2.62 27.07 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.746 -178.908 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 98' ' ' ARG . . . . . 0.595 ' HG3' ' O ' ' A' ' 94' ' ' ILE . 58.8 mtp180 . . . . . 0 C--N 1.328 -0.341 0 N-CA-C 111.807 0.299 . . . . 0.0 111.807 -179.616 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 42' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.535 0 CA-C-O 119.978 -0.346 . . . . 0.0 112.287 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 43' ' ' PRO . . . . . 0.454 ' O ' HG23 ' B' ' 47' ' ' VAL . 50.8 Cg_endo -69.79 -171.61 0.49 Allowed 'Trans proline' 0 CA--C 1.53 0.307 0 C-N-CA 122.911 2.407 . . . . 0.0 113.02 179.869 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 44' ' ' ILE . . . . . 0.505 HD12 ' OE1' ' B' ' 76' ' ' GLU . 2.6 pt -43.53 -51.22 1.35 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.544 0 N-CA-C 113.513 0.931 . . . . 0.0 113.513 -176.784 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 45' ' ' ARG . . . . . 0.582 ' HG3' ' SD ' ' B' ' 46' ' ' MET . 12.2 ptt180 -59.32 -42.93 92.55 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.859 0.362 . . . . 0.0 111.916 179.802 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 46' ' ' MET . . . . . 0.628 ' O ' HG13 ' B' ' 50' ' ' ILE . 1.5 mpt? -68.9 -28.28 66.54 Favored 'General case' 0 C--N 1.324 -0.542 0 C-N-CA 120.99 -0.284 . . . . 0.0 110.956 178.446 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 47' ' ' VAL . . . . . 0.454 HG23 ' O ' ' B' ' 43' ' ' PRO . 94.8 t -60.83 -41.98 90.71 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.23 0 CA-C-O 121.443 0.64 . . . . 0.0 109.363 177.049 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 48' ' ' LEU . . . . . 0.43 HD12 ' HA ' ' B' ' 48' ' ' LEU . 5.6 tp -65.23 -38.85 91.7 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.007 -0.997 . . . . 0.0 110.453 178.39 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -68.13 -45.05 74.71 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.245 178.094 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 50' ' ' ILE . . . . . 0.628 HG13 ' O ' ' B' ' 46' ' ' MET . 66.8 mt -63.76 -32.78 58.29 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-O 121.064 0.459 . . . . 0.0 109.936 178.299 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 51' ' ' LEU . . . . . 0.516 ' O ' ' HG2' ' B' ' 55' ' ' ARG . 12.5 tp -57.28 -58.45 8.18 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.238 175.888 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -57.15 -39.56 75.48 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.019 -179.681 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 53' ' ' PHE . . . . . . . . . . . . . 84.9 t80 -52.78 -58.94 5.24 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.662 -0.699 . . . . 0.0 109.917 174.461 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 54' ' ' LEU . . . . . 0.439 HD13 ' H ' ' B' ' 62' ' ' SER . 92.1 mt -68.33 -11.6 59.77 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.997 -177.944 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 55' ' ' ARG . . . . . 0.516 ' HG2' ' O ' ' B' ' 51' ' ' LEU . 26.4 mmm180 -82.42 -40.3 21.41 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.868 0.366 . . . . 0.0 111.374 178.249 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 56' ' ' PHE . . . . . 0.515 ' CZ ' ' HA ' ' A' ' 84' ' ' PHE . 60.6 m-85 -105.57 -8.81 17.76 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 112.055 0.391 . . . . 0.0 112.055 -175.589 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 57' ' ' THR . . . . . 0.479 ' HA ' ' HG3' ' A' ' 46' ' ' MET . 47.8 p -102.15 -32.13 10.25 Favored 'General case' 0 C--N 1.325 -0.459 0 C-N-CA 120.252 -0.579 . . . . 0.0 110.979 174.773 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -131.88 -179.0 5.13 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.106 -173.377 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 59' ' ' ILE . . . . . . . . . . . . . 49.2 mm -115.8 120.97 66.34 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 N-CA-C 109.339 -0.615 . . . . 0.0 109.339 176.201 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 88.1 tttt 66.62 103.67 0.03 OUTLIER Pre-proline 0 N--CA 1.462 0.174 0 O-C-N 123.923 0.764 . . . . 0.0 111.082 -177.242 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 61' ' ' PRO . . . . . . . . . . . . . 31.4 Cg_exo -61.9 151.7 79.52 Favored 'Trans proline' 0 C--O 1.233 0.271 0 C-N-CA 122.83 2.353 . . . . 0.0 112.08 177.981 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 62' ' ' SER . . . . . 0.439 ' H ' HD13 ' B' ' 54' ' ' LEU . 33.0 t -58.68 139.03 56.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.487 178.896 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 83.9 mt -61.75 -23.36 66.11 Favored 'General case' 0 C--O 1.224 -0.257 0 CA-C-N 115.275 -0.875 . . . . 0.0 112.145 -172.157 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -61.77 -43.16 99.6 Favored Glycine 0 C--O 1.237 0.286 0 C-N-CA 120.368 -0.92 . . . . 0.0 111.633 175.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 65' ' ' LEU . . . . . 0.435 HD23 ' HB3' ' B' ' 62' ' ' SER . 3.3 mm? -68.68 -38.87 80.68 Favored 'General case' 0 C--O 1.221 -0.431 0 N-CA-C 109.689 -0.486 . . . . 0.0 109.689 176.157 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 66' ' ' ILE . . . . . . . . . . . . . 48.5 mm -64.24 -36.3 76.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.159 179.499 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 67' ' ' ASN . . . . . . . . . . . . . 86.2 m-20 -71.14 -38.69 72.25 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.272 179.801 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 68' ' ' ARG . . . . . . . . . . . . . 70.8 ttt180 -87.71 -8.34 56.22 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.475 0.655 . . . . 0.0 110.095 -179.559 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 69' ' ' TRP . . . . . 0.677 ' NE1' HD11 ' A' ' 95' ' ' ILE . 18.0 t90 -57.36 -41.6 80.43 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 114.971 -1.013 . . . . 0.0 110.863 -179.722 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . -81.82 -1.21 90.16 Favored Glycine 0 N--CA 1.45 -0.4 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.595 -178.913 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 71' ' ' SER . . . . . . . . . . . . . 22.8 t -89.03 -12.35 41.59 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.745 0.307 . . . . 0.0 110.343 -179.682 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 72' ' ' VAL . . . . . . . . . . . . . 30.9 t -63.5 143.65 15.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 N-CA-C 108.785 -0.821 . . . . 0.0 108.785 174.302 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 73' ' ' GLY . . . . . 0.477 ' C ' ' HG2' ' B' ' 74' ' ' LYS . . . -72.7 17.77 1.51 Allowed Glycine 0 C--O 1.225 -0.466 0 CA-C-O 118.765 -1.02 . . . . 0.0 114.52 -170.427 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 74' ' ' LYS . . . . . 0.477 ' HG2' ' C ' ' B' ' 73' ' ' GLY . 2.1 ptpp? 50.92 -65.76 0.0 OUTLIER 'General case' 0 N--CA 1.485 1.315 0 C-N-CA 125.23 1.412 . . . . 0.0 113.763 178.726 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 75' ' ' LYS . . . . . 0.462 ' N ' ' O ' ' B' ' 73' ' ' GLY . 1.3 tmtp? -54.76 -51.36 65.94 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 121.679 0.752 . . . . 0.0 108.986 169.655 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 76' ' ' GLU . . . . . 0.505 ' OE1' HD12 ' B' ' 44' ' ' ILE . 9.8 tt0 -47.84 -47.32 31.44 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 114.372 -1.285 . . . . 0.0 110.796 171.457 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 77' ' ' ALA . . . . . . . . . . . . . . . -61.32 -35.56 77.72 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.873 -0.603 . . . . 0.0 111.157 -179.186 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 78' ' ' MET . . . . . 0.43 ' HG3' ' O ' ' B' ' 74' ' ' LYS . 65.3 mtt -58.11 -44.88 87.94 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 109.868 -0.419 . . . . 0.0 109.868 176.885 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 79' ' ' GLU . . . . . . . . . . . . . 34.8 mm-40 -64.42 -43.99 92.63 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.529 -0.759 . . . . 0.0 111.044 177.842 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 80' ' ' ILE . . . . . 0.472 HD13 ' HA ' ' B' ' 45' ' ' ARG . 73.5 mt -61.96 -52.22 63.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.031 -0.532 . . . . 0.0 110.87 179.206 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 81' ' ' ILE . . . . . . . . . . . . . 40.7 mm -61.1 -34.84 61.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 115.976 -0.557 . . . . 0.0 110.791 -179.415 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 82' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.96 -51.85 67.49 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.102 177.311 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 83' ' ' LYS . . . . . . . . . . . . . 60.2 mtpt -65.29 -34.39 78.23 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.711 178.755 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 84' ' ' PHE . . . . . 0.532 ' O ' ' HG ' ' B' ' 88' ' ' LEU . 1.6 t80 -60.31 -52.23 66.13 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.007 179.345 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 85' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -63.67 -35.25 79.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.925 -0.58 . . . . 0.0 111.153 179.295 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 86' ' ' LYS . . . . . . . . . . . . . 97.2 mttt -64.34 -45.09 89.37 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.995 178.285 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 87' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -67.64 -38.76 84.32 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.986 0.422 . . . . 0.0 110.071 -178.502 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 88' ' ' LEU . . . . . 0.532 ' HG ' ' O ' ' B' ' 84' ' ' PHE . 91.6 mt -60.35 -40.33 90.34 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.705 176.45 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 89' ' ' ALA . . . . . 0.476 ' O ' ' HG3' ' B' ' 93' ' ' ARG . . . -62.03 -46.8 87.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.896 -179.653 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 90' ' ' ALA . . . . . 0.479 ' O ' HG13 ' B' ' 94' ' ' ILE . . . -63.39 -47.28 82.66 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.884 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 91' ' ' MET . . . . . 0.545 ' O ' HG12 ' B' ' 95' ' ' ILE . 0.0 OUTLIER -61.34 -38.68 87.81 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.262 -179.556 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 92' ' ' LEU . . . . . . . . . . . . . 51.4 tp -58.82 -46.65 87.17 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.121 0.486 . . . . 0.0 110.847 177.217 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 93' ' ' ARG . . . . . 0.476 ' HG3' ' O ' ' B' ' 89' ' ' ALA . 90.4 mtt180 -61.03 -35.99 78.36 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.68 -179.765 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 94' ' ' ILE . . . . . 0.589 ' O ' ' HG3' ' B' ' 98' ' ' ARG . 60.5 mt -69.02 -36.93 76.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.805 179.124 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 95' ' ' ILE . . . . . 0.683 HD11 ' NE1' ' A' ' 69' ' ' TRP . 26.2 mm -57.32 -45.35 85.15 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.193 0 CA-C-O 121.24 0.543 . . . . 0.0 109.831 176.767 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 96' ' ' ASN . . . . . 0.434 ' OD1' ' HB2' ' A' ' 74' ' ' LYS . 78.9 m-20 -60.69 -38.63 85.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.291 -0.868 . . . . 0.0 110.506 178.248 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 97' ' ' ALA . . . . . . . . . . . . . . . -74.63 -3.22 29.89 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.888 -0.596 . . . . 0.0 111.648 -178.943 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 98' ' ' ARG . . . . . 0.589 ' HG3' ' O ' ' B' ' 94' ' ' ILE . 59.5 mtp180 . . . . . 0 C--N 1.329 -0.31 0 N-CA-C 111.761 0.282 . . . . 0.0 111.761 -179.521 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.402 0 N-CA-C 111.653 -0.579 . . . . 0.0 111.653 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.406 ' O ' HG23 ' A' ' 47' ' ' VAL . 51.5 Cg_exo -55.6 168.91 1.37 Allowed 'Trans proline' 0 CA--C 1.532 0.413 0 C-N-CA 123.147 2.565 . . . . 0.0 113.111 -179.606 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.614 ' HB ' HG13 ' A' ' 72' ' ' VAL . 24.9 pt -54.31 -41.48 52.89 Favored 'Isoleucine or valine' 0 C--O 1.243 0.724 0 N-CA-C 112.649 0.611 . . . . 0.0 112.649 -171.203 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' ARG . . . . . 0.502 ' HA ' ' CD1' ' A' ' 80' ' ' ILE . 55.9 mtp180 -61.93 -40.79 96.72 Favored 'General case' 0 C--O 1.236 0.364 0 CA-C-O 121.366 0.603 . . . . 0.0 110.17 177.647 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' MET . . . . . 0.642 ' O ' HG13 ' A' ' 50' ' ' ILE . 1.8 mpt? -68.21 -30.56 69.66 Favored 'General case' 0 C--O 1.219 -0.536 0 CA-C-N 115.509 -0.769 . . . . 0.0 110.601 177.312 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.409 ' HB ' ' O ' ' A' ' 44' ' ' ILE . 95.7 t -56.21 -47.41 80.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 N-CA-C 110.287 -0.264 . . . . 0.0 110.287 177.22 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 7.3 mp -65.46 -37.02 85.63 Favored 'General case' 0 C--N 1.33 -0.27 0 C-N-CA 120.71 -0.396 . . . . 0.0 111.328 176.918 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -64.14 -44.48 92.02 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.905 0.384 . . . . 0.0 110.976 177.32 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.642 HG13 ' O ' ' A' ' 46' ' ' MET . 59.5 mt -66.0 -34.66 71.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.024 178.222 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.529 HD22 ' NE1' ' A' ' 69' ' ' TRP . 4.5 tp -58.37 -54.86 42.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.464 175.839 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -54.8 -43.33 72.81 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.383 179.814 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 74.1 t80 -53.24 -59.83 4.07 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.55 -0.75 . . . . 0.0 109.956 174.044 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 95.7 mt -66.5 -8.71 28.3 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 112.639 0.607 . . . . 0.0 112.639 -175.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.479 ' HG2' ' O ' ' A' ' 51' ' ' LEU . 17.6 mmm180 -94.38 -40.67 9.81 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.856 0.36 . . . . 0.0 111.351 178.305 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 73.2 m-85 -94.34 -15.64 24.22 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.505 -177.325 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' THR . . . . . 0.507 ' HA ' ' HG3' ' B' ' 46' ' ' MET . 34.1 p -103.83 -33.42 8.89 Favored 'General case' 0 C--N 1.325 -0.468 0 C-N-CA 120.515 -0.474 . . . . 0.0 111.038 177.725 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -128.56 179.56 5.6 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.016 0.436 . . . . 0.0 111.206 -173.855 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 3.4 mp -116.23 122.26 69.31 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 N-CA-C 109.084 -0.71 . . . . 0.0 109.084 175.483 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 53.2 tttm 65.82 104.19 0.03 OUTLIER Pre-proline 0 C--O 1.234 0.284 0 O-C-N 123.829 0.706 . . . . 0.0 111.822 -178.462 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 22.3 Cg_exo -65.88 152.35 81.72 Favored 'Trans proline' 0 C--O 1.235 0.374 0 C-N-CA 122.699 2.266 . . . . 0.0 111.386 174.225 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 27.9 t -60.51 142.03 55.78 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.282 178.462 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 86.6 mt -64.55 -16.64 62.94 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.568 -0.742 . . . . 0.0 112.264 -172.538 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -65.15 -47.81 77.17 Favored Glycine 0 N--CA 1.449 -0.457 0 C-N-CA 120.613 -0.803 . . . . 0.0 111.326 174.166 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.448 ' O ' ' HB2' ' A' ' 69' ' ' TRP . 3.2 mm? -66.15 -36.39 82.99 Favored 'General case' 0 C--O 1.222 -0.351 0 N-CA-C 109.78 -0.452 . . . . 0.0 109.78 176.779 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 45.4 mm -64.02 -37.99 81.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.036 179.125 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 47.1 t30 -65.79 -44.37 85.94 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.704 179.131 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' ARG . . . . . 0.408 ' O ' HG23 ' A' ' 72' ' ' VAL . 67.5 ttt180 -81.46 -17.9 47.1 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.0 0.428 . . . . 0.0 110.371 -177.548 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 69' ' ' TRP . . . . . 0.529 ' NE1' HD22 ' A' ' 51' ' ' LEU . 19.0 t90 -54.75 -53.06 60.05 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.403 -0.817 . . . . 0.0 110.772 177.953 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -82.33 15.61 28.09 Favored Glycine 0 N--CA 1.449 -0.443 0 C-N-CA 120.839 -0.696 . . . . 0.0 112.211 178.636 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 19.6 m -122.07 11.98 10.31 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.302 0.573 . . . . 0.0 110.082 179.034 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.614 HG13 ' HB ' ' A' ' 44' ' ' ILE . 46.1 t -81.93 -15.58 12.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 122.281 1.039 . . . . 0.0 111.12 -178.83 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 83.9 115.85 0.64 Allowed Glycine 0 C--N 1.302 -1.322 0 CA-C-N 114.203 -1.362 . . . . 0.0 110.019 -169.466 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.61 ' O ' ' HG3' ' A' ' 78' ' ' MET . 9.8 ptpp? -63.84 -21.58 66.51 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.062 0.458 . . . . 0.0 110.056 -176.794 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 21.4 tptm -66.39 -54.82 20.03 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.082 172.75 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 76' ' ' GLU . . . . . 0.496 ' O ' HG13 ' A' ' 80' ' ' ILE . 14.5 tp10 -57.18 -43.23 82.45 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.441 -0.8 . . . . 0.0 109.68 176.813 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.548 ' O ' HG12 ' A' ' 81' ' ' ILE . . . -55.58 -44.86 77.31 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.527 -0.761 . . . . 0.0 111.156 178.713 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 78' ' ' MET . . . . . 0.61 ' HG3' ' O ' ' A' ' 74' ' ' LYS . 67.8 mtt -58.15 -43.05 87.15 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-O 120.999 0.428 . . . . 0.0 110.541 178.6 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -68.62 -38.06 80.23 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.816 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.502 ' CD1' ' HA ' ' A' ' 45' ' ' ARG . 86.9 mt -63.28 -50.16 80.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.38 176.82 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.548 HG12 ' O ' ' A' ' 77' ' ' ALA . 48.4 mm -60.52 -40.75 85.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.685 -179.861 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 24.8 ttmm -59.06 -50.97 72.06 Favored 'General case' 0 C--O 1.237 0.417 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.666 178.241 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 63.2 tttm -66.88 -38.95 87.27 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.523 179.872 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 84' ' ' PHE . . . . . 0.607 ' O ' ' HG ' ' A' ' 88' ' ' LEU . 0.3 OUTLIER -56.06 -52.67 63.43 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.015 -0.538 . . . . 0.0 110.302 -179.606 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -61.94 -36.2 80.7 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.917 179.658 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 39.7 ttmt -65.8 -48.63 71.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.615 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 87' ' ' ASP . . . . . 0.578 ' O ' ' HG2' ' A' ' 91' ' ' MET . 1.5 m-20 -63.39 -39.83 95.58 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.69 177.868 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.607 ' HG ' ' O ' ' A' ' 84' ' ' PHE . 85.0 mt -58.73 -43.08 90.08 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.903 0.382 . . . . 0.0 110.818 179.398 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -62.76 -41.49 99.24 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.6 178.424 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 90' ' ' ALA . . . . . 0.573 ' O ' HG13 ' A' ' 94' ' ' ILE . . . -65.49 -44.28 87.55 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.619 178.433 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 91' ' ' MET . . . . . 0.578 ' HG2' ' O ' ' A' ' 87' ' ' ASP . 25.6 mmt -61.33 -41.21 96.65 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.677 179.491 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 55.8 tp -57.6 -45.21 85.6 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.169 0.509 . . . . 0.0 110.496 177.871 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 96.5 mtt180 -60.87 -34.36 74.5 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.57 177.713 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 94' ' ' ILE . . . . . 0.573 HG13 ' O ' ' A' ' 90' ' ' ALA . 48.3 mt -73.92 -32.69 34.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.879 178.904 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.507 HG12 ' O ' ' A' ' 91' ' ' MET . 18.5 mm -56.15 -43.07 74.99 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.287 0 CA-C-O 121.363 0.601 . . . . 0.0 109.562 174.283 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 35.0 m-80 -60.78 -43.07 98.53 Favored 'General case' 0 C--O 1.237 0.395 0 CA-C-N 115.298 -0.865 . . . . 0.0 110.357 174.588 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -68.51 -24.07 64.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.469 -0.787 . . . . 0.0 111.96 -178.508 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 98' ' ' ARG . . . . . 0.551 ' HG2' ' O ' ' A' ' 94' ' ' ILE . 27.1 mmm180 . . . . . 0 C--N 1.327 -0.412 0 CA-C-O 120.878 0.37 . . . . 0.0 111.012 -177.719 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 42' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.436 0 CA-C-O 119.474 -0.626 . . . . 0.0 111.539 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 43' ' ' PRO . . . . . . . . . . . . . 51.5 Cg_exo -55.78 168.74 1.56 Allowed 'Trans proline' 0 C--N 1.346 0.411 0 C-N-CA 123.168 2.578 . . . . 0.0 113.073 -179.629 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 44' ' ' ILE . . . . . 0.615 ' HB ' HG13 ' B' ' 72' ' ' VAL . 25.0 pt -54.07 -41.67 51.51 Favored 'Isoleucine or valine' 0 C--O 1.242 0.684 0 N-CA-C 112.665 0.617 . . . . 0.0 112.665 -171.245 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 45' ' ' ARG . . . . . 0.505 ' HA ' ' CD1' ' B' ' 80' ' ' ILE . 55.9 mtp180 -61.81 -40.9 96.88 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-O 121.339 0.59 . . . . 0.0 110.109 177.624 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 46' ' ' MET . . . . . 0.626 ' O ' HG13 ' B' ' 50' ' ' ILE . 1.8 mpt? -68.23 -30.47 69.54 Favored 'General case' 0 C--O 1.219 -0.525 0 CA-C-N 115.547 -0.752 . . . . 0.0 110.604 177.438 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 47' ' ' VAL . . . . . 0.419 ' HB ' ' O ' ' B' ' 44' ' ' ILE . 95.1 t -56.22 -47.46 80.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.63 0.252 . . . . 0.0 110.354 177.199 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 7.3 mp -65.36 -37.12 86.07 Favored 'General case' 0 N--CA 1.464 0.249 0 C-N-CA 120.752 -0.379 . . . . 0.0 111.344 176.746 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -64.02 -44.46 92.49 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.917 0.389 . . . . 0.0 111.036 177.248 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 50' ' ' ILE . . . . . 0.626 HG13 ' O ' ' B' ' 46' ' ' MET . 59.9 mt -65.91 -34.74 72.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.019 178.271 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 51' ' ' LEU . . . . . 0.528 HD22 ' NE1' ' B' ' 69' ' ' TRP . 4.5 tp -58.45 -54.81 42.84 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.442 175.966 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -54.65 -43.54 72.46 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-N 115.998 -0.547 . . . . 0.0 110.434 179.705 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 53' ' ' PHE . . . . . . . . . . . . . 74.1 t80 -53.12 -59.8 4.09 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.452 -0.795 . . . . 0.0 109.973 174.049 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 54' ' ' LEU . . . . . . . . . . . . . 95.7 mt -66.6 -8.51 27.64 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 112.576 0.584 . . . . 0.0 112.576 -175.944 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 55' ' ' ARG . . . . . 0.473 ' HG2' ' O ' ' B' ' 51' ' ' LEU . 17.6 mmm180 -94.81 -40.16 9.89 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.883 0.373 . . . . 0.0 111.475 178.328 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 56' ' ' PHE . . . . . . . . . . . . . 73.1 m-85 -94.86 -15.25 23.85 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.365 -0.379 . . . . 0.0 111.49 -177.529 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 57' ' ' THR . . . . . 0.497 ' HA ' ' HG3' ' A' ' 46' ' ' MET . 34.0 p -104.08 -33.52 8.74 Favored 'General case' 0 C--N 1.326 -0.448 0 C-N-CA 120.528 -0.469 . . . . 0.0 111.031 177.574 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -128.43 179.48 5.63 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.164 0.507 . . . . 0.0 111.134 -173.843 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 59' ' ' ILE . . . . . . . . . . . . . 3.3 mp -116.07 122.2 69.11 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-N 115.616 -0.72 . . . . 0.0 109.237 175.249 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 53.2 tttm 65.69 104.51 0.03 OUTLIER Pre-proline 0 C--O 1.234 0.276 0 O-C-N 123.919 0.762 . . . . 0.0 111.804 -178.305 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 61' ' ' PRO . . . . . . . . . . . . . 21.9 Cg_exo -66.13 151.8 82.78 Favored 'Trans proline' 0 C--O 1.236 0.394 0 C-N-CA 122.693 2.262 . . . . 0.0 111.467 174.044 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 24.6 t -59.88 141.64 55.07 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.262 178.458 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 87.2 mt -64.5 -16.41 62.47 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.644 -0.707 . . . . 0.0 112.069 -172.565 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -65.28 -47.44 80.02 Favored Glycine 0 N--CA 1.449 -0.439 0 C-N-CA 120.484 -0.865 . . . . 0.0 111.361 174.18 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 65' ' ' LEU . . . . . 0.441 ' O ' ' HB2' ' B' ' 69' ' ' TRP . 3.2 mm? -66.52 -36.46 82.75 Favored 'General case' 0 C--O 1.221 -0.424 0 N-CA-C 109.753 -0.462 . . . . 0.0 109.753 176.674 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 66' ' ' ILE . . . . . . . . . . . . . 45.4 mm -64.01 -37.71 80.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.044 179.184 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 67' ' ' ASN . . . . . . . . . . . . . 46.4 t30 -66.03 -44.35 84.95 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.616 179.033 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 68' ' ' ARG . . . . . . . . . . . . . 67.2 ttt180 -81.35 -17.93 47.4 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.051 0.453 . . . . 0.0 110.4 -177.513 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 69' ' ' TRP . . . . . 0.528 ' NE1' HD22 ' B' ' 51' ' ' LEU . 19.0 t90 -54.86 -53.08 59.96 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.337 -0.847 . . . . 0.0 110.753 178.066 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . -81.87 15.0 28.71 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.82 -0.705 . . . . 0.0 112.168 178.54 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 71' ' ' SER . . . . . . . . . . . . . 19.9 m -121.97 12.63 10.47 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.106 0.479 . . . . 0.0 110.167 179.135 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 72' ' ' VAL . . . . . 0.615 HG13 ' HB ' ' B' ' 44' ' ' ILE . 45.1 t -82.49 -15.47 11.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-O 122.237 1.018 . . . . 0.0 111.074 -179.036 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 73' ' ' GLY . . . . . . . . . . . . . . . 83.83 115.92 0.63 Allowed Glycine 0 C--N 1.302 -1.317 0 CA-C-N 114.164 -1.38 . . . . 0.0 110.083 -169.51 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 74' ' ' LYS . . . . . 0.595 ' O ' ' HG3' ' B' ' 78' ' ' MET . 9.8 ptpp? -63.43 -21.96 66.6 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 117.033 0.417 . . . . 0.0 110.198 -176.961 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 75' ' ' LYS . . . . . . . . . . . . . 21.6 tptm -66.26 -54.84 20.19 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.031 172.805 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 76' ' ' GLU . . . . . 0.494 ' O ' HG13 ' B' ' 80' ' ' ILE . 13.9 tp10 -57.22 -42.98 82.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.483 -0.78 . . . . 0.0 109.698 176.949 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 77' ' ' ALA . . . . . 0.553 ' O ' HG12 ' B' ' 81' ' ' ILE . . . -55.74 -44.93 78.03 Favored 'General case' 0 N--CA 1.454 -0.25 0 CA-C-N 115.531 -0.759 . . . . 0.0 111.163 178.572 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 78' ' ' MET . . . . . 0.595 ' HG3' ' O ' ' B' ' 74' ' ' LYS . 68.0 mtt -58.0 -43.09 86.44 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-O 120.854 0.359 . . . . 0.0 110.525 178.665 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 79' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -68.53 -38.22 80.68 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.748 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 80' ' ' ILE . . . . . 0.505 ' CD1' ' HA ' ' B' ' 45' ' ' ARG . 87.2 mt -63.3 -50.26 79.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.424 176.852 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 81' ' ' ILE . . . . . 0.553 HG12 ' O ' ' B' ' 77' ' ' ALA . 48.4 mm -60.44 -40.43 84.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.796 -179.906 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 82' ' ' LYS . . . . . . . . . . . . . 24.8 ttmm -59.43 -50.97 71.88 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.547 178.199 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 83' ' ' LYS . . . . . . . . . . . . . 63.1 tttm -66.85 -38.82 87.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.522 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 84' ' ' PHE . . . . . 0.606 ' O ' ' HG ' ' B' ' 88' ' ' LEU . 0.3 OUTLIER -56.24 -52.64 63.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.251 -179.51 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 85' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -61.8 -36.66 81.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.824 179.578 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 86' ' ' LYS . . . . . . . . . . . . . 39.6 ttmt -65.27 -49.16 70.65 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.708 179.812 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 87' ' ' ASP . . . . . 0.587 ' O ' ' HG2' ' B' ' 91' ' ' MET . 1.3 m-20 -63.09 -39.68 95.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.75 177.796 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 88' ' ' LEU . . . . . 0.606 ' HG ' ' O ' ' B' ' 84' ' ' PHE . 84.9 mt -58.79 -43.15 90.39 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-O 120.884 0.373 . . . . 0.0 110.824 179.368 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -62.86 -41.37 99.35 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.531 178.61 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 90' ' ' ALA . . . . . 0.568 ' O ' HG13 ' B' ' 94' ' ' ILE . . . -65.44 -44.39 87.44 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.673 178.357 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 91' ' ' MET . . . . . 0.587 ' HG2' ' O ' ' B' ' 87' ' ' ASP . 25.7 mmt -61.3 -41.14 96.49 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.681 179.402 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 92' ' ' LEU . . . . . . . . . . . . . 55.9 tp -57.58 -45.15 85.59 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.173 0.511 . . . . 0.0 110.506 177.737 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 93' ' ' ARG . . . . . . . . . . . . . 96.1 mtt180 -61.01 -34.33 74.66 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.521 177.785 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 94' ' ' ILE . . . . . 0.568 HG13 ' O ' ' B' ' 90' ' ' ALA . 48.0 mt -73.97 -32.59 33.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.783 178.956 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 95' ' ' ILE . . . . . 0.513 HD11 ' NE1' ' A' ' 69' ' ' TRP . 18.5 mm -56.19 -43.17 75.57 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.331 0 CA-C-O 121.337 0.589 . . . . 0.0 109.603 174.295 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 96' ' ' ASN . . . . . 0.403 ' OD1' ' HD3' ' A' ' 74' ' ' LYS . 35.3 m-80 -60.69 -42.98 98.23 Favored 'General case' 0 C--O 1.236 0.393 0 CA-C-N 115.288 -0.869 . . . . 0.0 110.346 174.629 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 97' ' ' ALA . . . . . . . . . . . . . . . -68.23 -24.95 64.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.5 -0.773 . . . . 0.0 111.933 -178.511 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 98' ' ' ARG . . . . . 0.542 ' HG2' ' O ' ' B' ' 94' ' ' ILE . 27.3 mmm180 . . . . . 0 C--N 1.327 -0.401 0 CA-C-O 120.92 0.391 . . . . 0.0 111.013 -177.447 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.445 -0.739 0 CA-C-O 120.148 -0.251 . . . . 0.0 112.525 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.551 ' HD2' ' SD ' ' A' ' 46' ' ' MET . 43.9 Cg_endo -68.51 174.15 8.78 Favored 'Trans proline' 0 N--CA 1.463 -0.281 0 C-N-CA 122.658 2.239 . . . . 0.0 111.792 175.365 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 21.3 pt -49.59 -39.83 14.53 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.416 0 N-CA-C 113.023 0.749 . . . . 0.0 113.023 -173.29 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' ARG . . . . . 0.511 ' HA ' HD13 ' A' ' 80' ' ' ILE . 98.5 mtt180 -63.73 -44.62 93.02 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 121.272 0.558 . . . . 0.0 110.826 179.545 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' MET . . . . . 0.602 ' HG2' ' HA ' ' B' ' 57' ' ' THR . 62.2 mtp -72.18 -23.29 61.25 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.971 179.764 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.514 HG23 ' O ' ' A' ' 43' ' ' PRO . 93.0 t -63.31 -48.01 89.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.418 -0.356 . . . . 0.0 110.294 175.258 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 64.6 mt -66.95 -32.74 74.2 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.474 -0.33 . . . . 0.0 110.688 178.274 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -64.77 -51.65 61.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.174 177.542 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.437 ' O ' ' HB3' ' A' ' 53' ' ' PHE . 15.0 tt -71.38 -24.08 23.52 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 CA-C-O 121.024 0.44 . . . . 0.0 110.295 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.425 ' O ' ' HG2' ' A' ' 55' ' ' ARG . 14.7 tp -60.59 -57.42 12.78 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.074 -0.512 . . . . 0.0 109.864 174.839 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -58.78 -38.06 77.68 Favored 'General case' 0 CA--C 1.519 -0.213 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.494 178.709 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.477 ' HB2' ' HB2' ' B' ' 53' ' ' PHE . 43.0 t80 -51.3 -61.18 2.39 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.61 -0.723 . . . . 0.0 109.883 173.517 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 91.3 mt -68.12 -16.31 63.95 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.91 -177.958 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.425 ' HG2' ' O ' ' A' ' 51' ' ' LEU . 23.9 mmm180 -75.39 -46.31 33.75 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.023 0.44 . . . . 0.0 111.271 177.647 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 56' ' ' PHE . . . . . 0.622 ' CZ ' ' HA ' ' B' ' 84' ' ' PHE . 89.2 m-85 -96.24 -6.4 38.13 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.539 -174.645 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 57' ' ' THR . . . . . 0.608 ' HA ' ' HG2' ' B' ' 46' ' ' MET . 81.6 p -102.38 -34.36 9.21 Favored 'General case' 0 C--N 1.325 -0.484 0 C-N-CA 120.523 -0.471 . . . . 0.0 111.185 175.105 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -135.87 -176.61 4.36 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.575 -171.456 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 70.5 mt -116.19 127.6 73.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-N 115.719 -0.673 . . . . 0.0 109.913 178.523 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 86.0 tttt 57.32 83.74 0.22 Allowed Pre-proline 0 N--CA 1.465 0.305 0 O-C-N 123.649 0.593 . . . . 0.0 110.158 -177.647 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' PRO . . . . . 0.432 ' HB2' ' H ' ' A' ' 62' ' ' SER . 81.5 Cg_exo -40.84 -82.32 0.02 OUTLIER 'Trans proline' 0 C--N 1.348 0.549 0 C-N-CA 124.022 3.148 . . . . 0.0 114.778 -168.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 62' ' ' SER . . . . . 0.565 ' O ' HG12 ' A' ' 66' ' ' ILE . 71.2 m -166.75 135.84 2.9 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 109.346 -0.613 . . . . 0.0 109.346 -177.317 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -64.4 -31.19 72.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.573 -175.947 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -68.38 -40.34 87.03 Favored Glycine 0 C--O 1.237 0.342 0 C-N-CA 120.559 -0.829 . . . . 0.0 111.677 177.048 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.489 HD23 ' HB2' ' A' ' 62' ' ' SER . 4.5 mm? -67.79 -38.11 82.91 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 110.174 -0.306 . . . . 0.0 110.174 177.066 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.565 HG12 ' O ' ' A' ' 62' ' ' SER . 48.0 mm -66.48 -32.22 57.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 121.268 0.556 . . . . 0.0 110.339 176.715 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 27.1 t-20 -62.45 -43.71 98.16 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.684 176.685 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 42.3 ttm180 -85.25 -14.95 45.11 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.238 0.542 . . . . 0.0 110.467 -178.793 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' TRP . . . . . 0.519 ' NE1' HD11 ' B' ' 95' ' ' ILE . 13.7 t90 -56.76 -48.32 78.1 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.397 -0.819 . . . . 0.0 110.849 179.358 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -77.96 -3.05 83.96 Favored Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.886 -0.674 . . . . 0.0 112.49 178.581 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 22.7 t -91.45 -14.13 31.07 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 109.672 -0.492 . . . . 0.0 109.672 178.297 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 68.0 t -68.87 130.85 34.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 115.845 -0.616 . . . . 0.0 109.608 175.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -61.16 122.01 28.19 Favored Glycine 0 N--CA 1.44 -1.074 0 N-CA-C 110.456 -1.058 . . . . 0.0 110.456 175.747 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.513 ' O ' ' HG2' ' A' ' 78' ' ' MET . 11.9 ptmm? -59.35 -31.62 69.37 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.692 0.246 . . . . 0.0 111.129 -176.056 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 51.4 tptt -64.34 -47.51 79.08 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.868 0.366 . . . . 0.0 110.13 173.648 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 76' ' ' GLU . . . . . 0.475 ' O ' HG13 ' A' ' 80' ' ' ILE . 27.9 tp10 -60.11 -44.82 94.59 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.689 -0.687 . . . . 0.0 109.604 177.758 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.414 ' O ' HG12 ' A' ' 81' ' ' ILE . . . -57.09 -43.7 82.44 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.736 178.314 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 78' ' ' MET . . . . . 0.513 ' HG2' ' O ' ' A' ' 74' ' ' LYS . 68.9 mmm -55.83 -42.1 75.24 Favored 'General case' 0 C--O 1.235 0.341 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.751 177.579 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -73.61 -40.86 63.49 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.893 -179.722 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.511 HD13 ' HA ' ' A' ' 45' ' ' ARG . 89.9 mt -60.98 -50.77 79.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.574 178.164 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.414 HG12 ' O ' ' A' ' 77' ' ' ALA . 45.9 mm -62.68 -36.63 76.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.018 -178.692 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 82' ' ' LYS . . . . . 0.436 ' O ' ' HD3' ' A' ' 86' ' ' LYS . 4.5 tmmm? -61.19 -53.48 56.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.94 0.4 . . . . 0.0 110.09 178.167 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 14.7 ptmm? -72.7 -19.98 61.31 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.588 -177.732 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 84' ' ' PHE . . . . . 0.633 ' HA ' ' CZ ' ' B' ' 56' ' ' PHE . 1.8 t80 -67.94 -52.36 37.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.949 -0.569 . . . . 0.0 109.645 177.448 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -61.9 -39.91 93.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.995 -179.709 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 86' ' ' LYS . . . . . 0.436 ' HD3' ' O ' ' A' ' 82' ' ' LYS . 5.8 mptp? -64.86 -37.28 87.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.588 -179.609 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -72.95 -37.17 67.21 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 109.854 -0.424 . . . . 0.0 109.854 178.593 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.503 ' HG ' ' O ' ' A' ' 84' ' ' PHE . 94.3 mt -59.48 -44.14 93.11 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.15 175.076 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 89' ' ' ALA . . . . . 0.538 ' O ' ' HG3' ' A' ' 93' ' ' ARG . . . -61.08 -45.49 94.53 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.733 178.322 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 90' ' ' ALA . . . . . 0.585 ' O ' HG13 ' A' ' 94' ' ' ILE . . . -60.44 -51.13 70.8 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.898 178.835 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 91' ' ' MET . . . . . 0.433 ' O ' HG12 ' A' ' 95' ' ' ILE . 74.7 mtm -62.8 -35.47 79.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.023 -179.433 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 58.2 tp -59.13 -47.43 85.31 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.045 0.45 . . . . 0.0 110.595 175.974 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 93' ' ' ARG . . . . . 0.538 ' HG3' ' O ' ' A' ' 89' ' ' ALA . 21.7 mtm180 -61.05 -32.58 72.21 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.466 178.956 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 94' ' ' ILE . . . . . 0.625 ' O ' ' HG2' ' A' ' 98' ' ' ARG . 25.4 mt -72.39 -32.46 42.31 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.372 0 C-N-CA 120.807 -0.357 . . . . 0.0 110.693 178.444 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.516 HD11 ' NE1' ' B' ' 69' ' ' TRP . 15.7 mm -56.52 -44.48 80.7 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.424 0 N-CA-C 109.202 -0.666 . . . . 0.0 109.202 173.091 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 96' ' ' ASN . . . . . 0.408 ' HB2' ' O ' ' A' ' 93' ' ' ARG . 36.4 m-80 -57.36 -39.92 76.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.184 -0.916 . . . . 0.0 110.117 174.689 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -78.57 -8.31 58.47 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.505 -0.77 . . . . 0.0 112.55 -177.536 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 98' ' ' ARG . . . . . 0.625 ' HG2' ' O ' ' A' ' 94' ' ' ILE . 31.5 mmm180 . . . . . 0 C--N 1.329 -0.315 0 CA-C-O 120.974 0.416 . . . . 0.0 110.282 179.079 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 42' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.444 -0.813 0 CA-C-O 120.116 -0.269 . . . . 0.0 112.514 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B ' 43' ' ' PRO . . . . . 0.561 ' HD2' ' SD ' ' B' ' 46' ' ' MET . 43.7 Cg_endo -68.48 173.96 9.03 Favored 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.609 2.206 . . . . 0.0 111.796 175.536 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 44' ' ' ILE . . . . . 0.417 ' HB ' HG13 ' B' ' 72' ' ' VAL . 21.0 pt -49.61 -39.51 14.26 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.457 0 N-CA-C 113.08 0.77 . . . . 0.0 113.08 -173.033 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 45' ' ' ARG . . . . . 0.495 ' HA ' HD13 ' B' ' 80' ' ' ILE . 98.6 mtt180 -63.91 -44.66 92.27 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.244 0.545 . . . . 0.0 110.813 179.581 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 46' ' ' MET . . . . . 0.608 ' HG2' ' HA ' ' A' ' 57' ' ' THR . 62.5 mtp -72.13 -23.35 61.3 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.984 179.673 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 47' ' ' VAL . . . . . 0.503 HG23 ' O ' ' B' ' 43' ' ' PRO . 92.4 t -63.34 -47.92 89.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.429 -0.351 . . . . 0.0 110.326 175.198 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 64.8 mt -67.03 -32.73 74.14 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.502 -0.317 . . . . 0.0 110.684 178.218 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -64.72 -51.6 61.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.192 177.462 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 50' ' ' ILE . . . . . 0.43 ' O ' ' HB3' ' B' ' 53' ' ' PHE . 14.9 tt -71.46 -24.11 23.41 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-O 121.001 0.429 . . . . 0.0 110.287 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 51' ' ' LEU . . . . . 0.428 ' O ' ' HG2' ' B' ' 55' ' ' ARG . 14.6 tp -60.58 -57.29 13.34 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.129 -0.487 . . . . 0.0 109.829 174.848 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -58.82 -38.17 78.05 Favored 'General case' 0 CA--C 1.518 -0.286 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.459 178.691 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 53' ' ' PHE . . . . . 0.477 ' HB2' ' HB2' ' A' ' 53' ' ' PHE . 42.9 t80 -51.23 -61.1 2.44 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.633 -0.712 . . . . 0.0 109.834 173.569 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 54' ' ' LEU . . . . . . . . . . . . . 92.2 mt -68.22 -16.4 63.96 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.902 -177.804 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 55' ' ' ARG . . . . . 0.428 ' HG2' ' O ' ' B' ' 51' ' ' LEU . 23.9 mmm180 -75.4 -46.31 33.68 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.927 0.394 . . . . 0.0 111.272 177.634 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 56' ' ' PHE . . . . . 0.633 ' CZ ' ' HA ' ' A' ' 84' ' ' PHE . 89.4 m-85 -96.15 -6.38 38.48 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.59 -174.74 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 57' ' ' THR . . . . . 0.602 ' HA ' ' HG2' ' A' ' 46' ' ' MET . 81.7 p -102.19 -34.62 9.19 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.133 0.492 . . . . 0.0 111.211 175.041 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -135.56 -176.95 4.45 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.828 -0.624 . . . . 0.0 111.499 -171.267 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 59' ' ' ILE . . . . . . . . . . . . . 70.2 mt -116.14 127.6 73.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 115.715 -0.675 . . . . 0.0 109.856 178.55 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 86.0 tttt 57.1 83.99 0.21 Allowed Pre-proline 0 N--CA 1.465 0.296 0 O-C-N 123.58 0.55 . . . . 0.0 110.23 -177.46 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 61' ' ' PRO . . . . . . . . . . . . . 82.7 Cg_exo -40.83 -82.66 0.02 OUTLIER 'Trans proline' 0 C--N 1.348 0.547 0 C-N-CA 124.025 3.15 . . . . 0.0 114.8 -169.19 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 62' ' ' SER . . . . . 0.574 ' O ' HG12 ' B' ' 66' ' ' ILE . 72.5 m -166.55 136.17 3.1 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 109.3 -0.629 . . . . 0.0 109.3 -177.443 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -64.58 -31.19 72.3 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.538 -175.833 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -68.27 -40.76 87.36 Favored Glycine 0 N--CA 1.452 -0.237 0 C-N-CA 120.667 -0.777 . . . . 0.0 111.645 176.897 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 65' ' ' LEU . . . . . 0.482 HD23 ' HB2' ' B' ' 62' ' ' SER . 4.5 mm? -67.62 -38.11 83.45 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 110.086 -0.338 . . . . 0.0 110.086 177.192 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 66' ' ' ILE . . . . . 0.574 HG12 ' O ' ' B' ' 62' ' ' SER . 48.3 mm -66.43 -32.28 57.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 121.256 0.55 . . . . 0.0 110.322 176.721 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 67' ' ' ASN . . . . . . . . . . . . . 27.2 t-20 -62.34 -43.82 97.93 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.768 176.606 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 68' ' ' ARG . . . . . . . . . . . . . 42.3 ttm180 -85.26 -14.64 46.05 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.281 0.562 . . . . 0.0 110.491 -178.83 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 69' ' ' TRP . . . . . 0.516 ' NE1' HD11 ' A' ' 95' ' ' ILE . 14.0 t90 -57.11 -48.23 79.13 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.378 -0.828 . . . . 0.0 110.869 179.431 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . -78.08 -3.0 84.36 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.854 -0.689 . . . . 0.0 112.367 178.578 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 71' ' ' SER . . . . . . . . . . . . . 18.9 t -91.54 -14.07 30.97 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 109.68 -0.489 . . . . 0.0 109.68 178.37 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 72' ' ' VAL . . . . . 0.417 HG13 ' HB ' ' B' ' 44' ' ' ILE . 66.4 t -68.58 130.55 33.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 115.824 -0.625 . . . . 0.0 109.571 175.822 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 73' ' ' GLY . . . . . . . . . . . . . . . -60.77 121.95 28.21 Favored Glycine 0 N--CA 1.441 -0.971 0 N-CA-C 110.379 -1.089 . . . . 0.0 110.379 175.496 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 74' ' ' LYS . . . . . 0.518 ' O ' ' HG2' ' B' ' 78' ' ' MET . 11.8 ptmm? -59.56 -31.49 69.48 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.701 0.25 . . . . 0.0 111.203 -175.939 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 75' ' ' LYS . . . . . . . . . . . . . 51.2 tptt -64.36 -47.38 79.5 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.883 0.373 . . . . 0.0 110.203 173.646 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 76' ' ' GLU . . . . . 0.495 ' O ' HG13 ' B' ' 80' ' ' ILE . 26.7 tp10 -60.29 -44.52 95.3 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.697 -0.683 . . . . 0.0 109.716 177.602 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 77' ' ' ALA . . . . . 0.419 ' O ' HG12 ' B' ' 81' ' ' ILE . . . -57.3 -43.62 83.38 Favored 'General case' 0 N--CA 1.456 -0.146 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.785 178.296 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 78' ' ' MET . . . . . 0.518 ' HG2' ' O ' ' B' ' 74' ' ' LYS . 69.1 mmm -55.94 -42.29 75.95 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.675 177.669 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 79' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -73.31 -40.92 64.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.865 -179.685 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 80' ' ' ILE . . . . . 0.495 HG13 ' O ' ' B' ' 76' ' ' GLU . 90.3 mt -60.96 -50.76 79.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.524 178.227 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 81' ' ' ILE . . . . . 0.419 HG12 ' O ' ' B' ' 77' ' ' ALA . 46.0 mm -62.77 -36.49 75.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.039 -178.673 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 82' ' ' LYS . . . . . 0.424 ' O ' ' HD3' ' B' ' 86' ' ' LYS . 4.5 tmmm? -61.28 -53.65 54.08 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-O 120.986 0.422 . . . . 0.0 110.086 178.105 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 83' ' ' LYS . . . . . . . . . . . . . 14.7 ptmm? -72.42 -20.09 61.48 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.588 -177.873 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 84' ' ' PHE . . . . . 0.622 ' HA ' ' CZ ' ' A' ' 56' ' ' PHE . 1.8 t80 -67.84 -52.51 35.89 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.036 -0.529 . . . . 0.0 109.654 177.46 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 85' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -61.81 -39.95 93.56 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.979 -179.733 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 86' ' ' LYS . . . . . 0.424 ' HD3' ' O ' ' B' ' 82' ' ' LYS . 5.8 mptp? -64.62 -37.67 88.38 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.522 -179.643 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 87' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -72.73 -37.3 67.79 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.911 0.386 . . . . 0.0 109.964 178.733 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 88' ' ' LEU . . . . . 0.484 ' HG ' ' O ' ' B' ' 84' ' ' PHE . 94.2 mt -59.27 -43.89 92.46 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.868 -0.606 . . . . 0.0 110.161 175.067 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 89' ' ' ALA . . . . . 0.524 ' O ' ' HG3' ' B' ' 93' ' ' ARG . . . -61.3 -45.59 93.81 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.687 178.301 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 90' ' ' ALA . . . . . 0.595 ' O ' HG13 ' B' ' 94' ' ' ILE . . . -60.31 -50.95 71.61 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.843 178.881 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 91' ' ' MET . . . . . 0.443 ' O ' HG12 ' B' ' 95' ' ' ILE . 74.7 mtm -62.97 -35.63 80.8 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.922 -179.358 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 92' ' ' LEU . . . . . . . . . . . . . 58.0 tp -59.05 -47.49 85.03 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.498 176.09 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 93' ' ' ARG . . . . . 0.524 ' HG3' ' O ' ' B' ' 89' ' ' ALA . 21.7 mtm180 -61.04 -32.7 72.32 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.403 179.029 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 94' ' ' ILE . . . . . 0.634 ' O ' ' HG2' ' B' ' 98' ' ' ARG . 26.0 mt -72.2 -32.57 43.55 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.386 0 C-N-CA 120.816 -0.354 . . . . 0.0 110.672 178.564 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 95' ' ' ILE . . . . . 0.519 HD11 ' NE1' ' A' ' 69' ' ' TRP . 15.7 mm -56.43 -44.66 80.8 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.432 0 CA-C-O 121.485 0.659 . . . . 0.0 109.225 173.209 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 96' ' ' ASN . . . . . 0.42 ' HB2' ' O ' ' B' ' 93' ' ' ARG . 37.5 m-80 -57.11 -40.07 76.31 Favored 'General case' 0 C--O 1.235 0.334 0 CA-C-N 115.148 -0.933 . . . . 0.0 110.15 174.548 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 97' ' ' ALA . . . . . . . . . . . . . . . -78.59 -8.17 58.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.551 -0.749 . . . . 0.0 112.516 -177.577 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 98' ' ' ARG . . . . . 0.634 ' HG2' ' O ' ' B' ' 94' ' ' ILE . 31.6 mmm180 . . . . . 0 C--N 1.327 -0.395 0 CA-C-O 120.923 0.392 . . . . 0.0 110.276 178.826 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.445 -0.708 0 N-CA-C 111.734 -0.547 . . . . 0.0 111.734 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.564 ' O ' HG23 ' A' ' 47' ' ' VAL . 24.3 Cg_exo -64.94 165.25 21.93 Favored 'Trans proline' 0 C--N 1.344 0.303 0 C-N-CA 122.831 2.354 . . . . 0.0 111.696 176.322 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.465 HG13 ' HD3' ' A' ' 45' ' ' ARG . 12.1 pt -57.23 -35.09 47.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 N-CA-C 112.432 0.53 . . . . 0.0 112.432 -172.366 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' ARG . . . . . 0.465 ' HD3' HG13 ' A' ' 44' ' ' ILE . 0.1 OUTLIER -61.88 -48.85 78.64 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-O 121.166 0.507 . . . . 0.0 110.148 175.965 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 46' ' ' MET . . . . . 0.532 ' O ' HG13 ' A' ' 50' ' ' ILE . 55.3 ttm -62.75 -33.24 74.74 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.73 179.243 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.564 HG23 ' O ' ' A' ' 43' ' ' PRO . 97.0 t -59.51 -46.24 93.12 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.504 -0.316 . . . . 0.0 110.817 178.225 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 10.3 mp -65.56 -31.9 73.19 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.773 0.321 . . . . 0.0 110.951 177.742 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -67.32 -45.84 75.27 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.771 176.413 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.532 HG13 ' O ' ' A' ' 46' ' ' MET . 58.8 mt -65.92 -35.62 75.55 Favored 'Isoleucine or valine' 0 C--O 1.233 0.207 0 CA-C-O 121.226 0.536 . . . . 0.0 109.727 176.933 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.411 HD22 ' NE1' ' A' ' 69' ' ' TRP . 9.0 tp -57.1 -55.25 37.14 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.381 -0.827 . . . . 0.0 110.507 175.719 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -57.02 -36.22 70.18 Favored 'General case' 0 C--O 1.232 0.136 0 CA-C-O 121.148 0.499 . . . . 0.0 110.731 -179.767 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 89.2 t80 -60.18 -58.13 9.86 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.672 -0.695 . . . . 0.0 109.899 176.63 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 85.8 mt -69.86 -6.38 32.22 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.521 -179.268 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 29.1 tpt180 -92.45 -36.5 13.07 Favored 'General case' 0 N--CA 1.427 -1.623 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.882 -178.804 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 81.2 m-85 -103.85 -24.06 13.33 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 112.146 0.425 . . . . 0.0 112.146 -177.099 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' THR . . . . . 0.405 HG22 ' HG3' ' B' ' 46' ' ' MET . 42.5 p -89.4 -27.18 20.6 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.255 0.55 . . . . 0.0 110.047 178.796 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -135.53 -179.55 5.71 Favored 'General case' 0 N--CA 1.449 -0.522 0 CA-C-N 115.495 -0.775 . . . . 0.0 110.859 -174.872 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 65.5 mt -119.85 129.85 74.91 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-N 115.902 -0.59 . . . . 0.0 109.507 176.404 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 26.2 tptp 66.99 92.19 0.07 OUTLIER Pre-proline 0 C--O 1.233 0.213 0 O-C-N 123.922 0.764 . . . . 0.0 110.962 -178.458 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 31.2 Cg_exo -60.18 150.33 80.16 Favored 'Trans proline' 0 C--O 1.237 0.473 0 C-N-CA 123.015 2.477 . . . . 0.0 112.36 178.543 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 16.4 m -59.96 142.9 52.96 Favored 'General case' 0 C--O 1.236 0.371 0 CA-C-N 115.442 -0.799 . . . . 0.0 111.282 -178.693 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 95.4 mt -60.15 -28.25 67.75 Favored 'General case' 0 C--O 1.223 -0.316 0 CA-C-N 114.997 -1.001 . . . . 0.0 112.668 -172.767 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -61.25 -43.48 99.33 Favored Glycine 0 C--O 1.237 0.29 0 C-N-CA 120.384 -0.912 . . . . 0.0 111.71 178.179 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.497 ' O ' ' HB2' ' A' ' 69' ' ' TRP . 3.9 mm? -67.76 -38.38 83.39 Favored 'General case' 0 C--O 1.22 -0.477 0 N-CA-C 109.882 -0.414 . . . . 0.0 109.882 176.639 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 50.8 mm -66.82 -38.0 80.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.339 -179.745 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 20.3 m-80 -66.64 -37.83 85.64 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.376 -0.374 . . . . 0.0 111.119 178.718 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' ARG . . . . . 0.421 ' O ' HG23 ' A' ' 72' ' ' VAL . 34.7 ttm180 -83.45 -19.8 35.22 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.138 0.494 . . . . 0.0 110.193 177.878 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 69' ' ' TRP . . . . . 0.607 ' NE1' HD11 ' B' ' 95' ' ' ILE . 11.6 t90 -58.52 -48.87 79.42 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.317 -0.856 . . . . 0.0 110.324 177.032 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -75.83 -5.14 78.73 Favored Glycine 0 N--CA 1.451 -0.363 0 CA-C-N 115.824 -0.625 . . . . 0.0 112.363 176.947 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 24.9 t -92.39 -17.78 24.17 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 109.782 -0.451 . . . . 0.0 109.782 178.432 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.445 HG13 ' HB ' ' A' ' 44' ' ' ILE . 84.4 t -63.66 135.5 27.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.187 177.259 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -57.55 122.39 29.09 Favored Glycine 0 N--CA 1.438 -1.202 0 N-CA-C 110.285 -1.126 . . . . 0.0 110.285 173.743 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.586 ' O ' ' HG2' ' A' ' 78' ' ' MET . 48.4 mttp -60.72 -35.97 77.68 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-O 120.931 0.396 . . . . 0.0 110.164 -175.407 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 56.6 tptt -63.98 -45.15 90.32 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.416 -0.811 . . . . 0.0 110.379 174.458 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 76' ' ' GLU . . . . . 0.507 ' O ' HG13 ' A' ' 80' ' ' ILE . 4.0 tp10 -59.68 -47.47 85.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.531 -0.759 . . . . 0.0 109.81 178.399 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -54.97 -41.84 71.65 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.926 179.175 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 78' ' ' MET . . . . . 0.586 ' HG2' ' O ' ' A' ' 74' ' ' LYS . 64.1 mmm -57.66 -47.64 81.72 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.322 178.474 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 28.8 mt-10 -69.79 -37.18 76.23 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.847 -179.1 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.507 HG13 ' O ' ' A' ' 76' ' ' GLU . 96.7 mt -61.69 -52.38 61.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.689 178.066 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.425 HG13 ' HB2' ' B' ' 92' ' ' LEU . 45.6 mm -60.37 -37.03 72.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.904 -179.016 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 39.6 ttpt -61.83 -48.88 78.56 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.766 177.592 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 35.0 mmtp -69.96 -32.06 70.1 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.681 178.942 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 84' ' ' PHE . . . . . 0.481 ' O ' ' HG ' ' A' ' 88' ' ' LEU . 2.1 t80 -61.77 -52.59 63.61 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.812 -0.631 . . . . 0.0 109.818 179.435 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 99.7 mttt -59.61 -39.08 83.08 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.74 178.392 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 59.5 tttm -63.34 -42.23 98.92 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.805 -0.634 . . . . 0.0 111.192 -179.336 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -73.35 -33.87 65.32 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 110.018 -0.364 . . . . 0.0 110.018 -178.524 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.481 ' HG ' ' O ' ' A' ' 84' ' ' PHE . 90.8 mt -58.86 -42.55 89.68 Favored 'General case' 0 CA--C 1.52 -0.188 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.052 173.461 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 89' ' ' ALA . . . . . 0.488 ' O ' ' HG3' ' A' ' 93' ' ' ARG . . . -58.96 -44.1 91.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.687 177.952 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 90' ' ' ALA . . . . . 0.558 ' O ' HG13 ' A' ' 94' ' ' ILE . . . -61.43 -50.47 72.7 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.813 178.529 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 91' ' ' MET . . . . . 0.4 ' O ' HG12 ' A' ' 95' ' ' ILE . 76.3 mtm -63.87 -35.08 79.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.181 -178.58 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.408 ' HB2' HG13 ' B' ' 81' ' ' ILE . 57.6 tp -59.59 -44.52 93.34 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.219 0.533 . . . . 0.0 110.589 176.293 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 93' ' ' ARG . . . . . 0.488 ' HG3' ' O ' ' A' ' 89' ' ' ALA . 20.7 mtm180 -67.01 -29.78 69.71 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.7 -179.588 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 94' ' ' ILE . . . . . 0.558 HG13 ' O ' ' A' ' 90' ' ' ALA . 45.2 mt -72.81 -33.03 42.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.719 -0.219 . . . . 0.0 110.86 177.733 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.641 HD11 ' NE1' ' B' ' 69' ' ' TRP . 20.0 mm -57.87 -49.82 79.82 Favored 'Isoleucine or valine' 0 C--O 1.232 0.162 0 CA-C-O 121.538 0.685 . . . . 0.0 109.186 172.926 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 41.1 m-80 -67.55 -25.24 65.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.004 -0.998 . . . . 0.0 110.877 179.466 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -71.32 -12.54 61.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.056 0.455 . . . . 0.0 110.977 -179.844 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 98' ' ' ARG . . . . . 0.42 ' HG2' ' O ' ' A' ' 94' ' ' ILE . 26.3 mmt180 . . . . . 0 C--N 1.327 -0.376 0 CA-C-O 120.98 0.419 . . . . 0.0 110.159 177.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 42' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.445 -0.719 0 N-CA-C 111.88 -0.488 . . . . 0.0 111.88 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B ' 43' ' ' PRO . . . . . 0.56 ' O ' HG23 ' B' ' 47' ' ' VAL . 24.0 Cg_exo -65.12 165.3 22.26 Favored 'Trans proline' 0 C--N 1.344 0.342 0 C-N-CA 122.842 2.362 . . . . 0.0 111.695 176.352 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 44' ' ' ILE . . . . . 0.465 HG13 ' HD3' ' B' ' 45' ' ' ARG . 12.6 pt -57.32 -35.01 47.51 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 N-CA-C 112.41 0.522 . . . . 0.0 112.41 -172.218 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 45' ' ' ARG . . . . . 0.465 ' HD3' HG13 ' B' ' 44' ' ' ILE . 0.1 OUTLIER -61.87 -48.82 78.78 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-O 121.181 0.515 . . . . 0.0 110.144 175.931 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 46' ' ' MET . . . . . 0.528 ' O ' HG13 ' B' ' 50' ' ' ILE . 55.5 ttm -62.95 -33.11 74.66 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.701 179.304 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 47' ' ' VAL . . . . . 0.56 HG23 ' O ' ' B' ' 43' ' ' PRO . 99.4 t -59.46 -46.28 92.94 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.493 -0.321 . . . . 0.0 110.807 178.019 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 10.3 mp -65.6 -31.81 73.05 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.796 0.332 . . . . 0.0 111.016 177.878 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -67.28 -46.01 74.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.749 176.389 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 50' ' ' ILE . . . . . 0.528 HG13 ' O ' ' B' ' 46' ' ' MET . 58.4 mt -65.82 -35.59 75.51 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-O 121.211 0.529 . . . . 0.0 109.723 176.861 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 51' ' ' LEU . . . . . 0.421 HD22 ' NE1' ' B' ' 69' ' ' TRP . 9.0 tp -57.18 -55.24 37.26 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.394 -0.821 . . . . 0.0 110.474 175.774 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -57.04 -36.19 70.19 Favored 'General case' 0 C--O 1.231 0.13 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.736 -179.789 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 53' ' ' PHE . . . . . . . . . . . . . 89.4 t80 -60.27 -58.05 10.19 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.674 -0.694 . . . . 0.0 109.864 176.661 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 54' ' ' LEU . . . . . . . . . . . . . 85.6 mt -69.83 -6.39 32.12 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.575 -179.329 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 55' ' ' ARG . . . . . . . . . . . . . 29.2 tpt180 -92.44 -36.56 13.04 Favored 'General case' 0 N--CA 1.426 -1.628 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.966 -178.927 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 56' ' ' PHE . . . . . . . . . . . . . 81.0 m-85 -103.72 -24.14 13.37 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 112.12 0.415 . . . . 0.0 112.12 -176.978 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 57' ' ' THR . . . . . . . . . . . . . 41.2 p -89.33 -27.37 20.55 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.122 0.487 . . . . 0.0 109.999 178.823 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -135.59 179.78 6.12 Favored 'General case' 0 N--CA 1.449 -0.512 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.831 -174.739 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 59' ' ' ILE . . . . . . . . . . . . . 65.0 mt -119.12 130.06 74.38 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 CA-C-N 115.944 -0.571 . . . . 0.0 109.58 176.278 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 26.3 tptp 67.0 92.36 0.07 OUTLIER Pre-proline 0 CA--C 1.53 0.21 0 O-C-N 123.938 0.774 . . . . 0.0 110.96 -178.453 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 61' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_exo -60.35 150.13 82.14 Favored 'Trans proline' 0 C--O 1.236 0.385 0 C-N-CA 122.942 2.428 . . . . 0.0 112.189 178.436 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 14.5 m -60.12 143.15 52.93 Favored 'General case' 0 C--O 1.237 0.396 0 CA-C-N 115.346 -0.843 . . . . 0.0 111.297 -178.612 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 95.3 mt -60.45 -28.18 68.11 Favored 'General case' 0 C--O 1.225 -0.223 0 CA-C-N 115.01 -0.995 . . . . 0.0 112.707 -172.321 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -61.78 -43.23 99.51 Favored Glycine 0 C--O 1.236 0.281 0 C-N-CA 120.381 -0.914 . . . . 0.0 111.651 178.465 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 65' ' ' LEU . . . . . 0.499 ' O ' ' HB2' ' B' ' 69' ' ' TRP . 3.9 mm? -67.54 -38.42 84.17 Favored 'General case' 0 C--O 1.221 -0.441 0 N-CA-C 109.849 -0.426 . . . . 0.0 109.849 176.474 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 66' ' ' ILE . . . . . . . . . . . . . 50.7 mm -66.98 -37.95 80.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.407 -179.709 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 67' ' ' ASN . . . . . . . . . . . . . 19.8 m-80 -66.6 -37.73 85.5 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.33 -0.396 . . . . 0.0 111.178 178.546 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 68' ' ' ARG . . . . . 0.421 ' O ' HG23 ' B' ' 72' ' ' VAL . 34.6 ttm180 -83.61 -19.95 34.57 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.11 0.481 . . . . 0.0 110.048 177.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 69' ' ' TRP . . . . . 0.641 ' NE1' HD11 ' A' ' 95' ' ' ILE . 11.4 t90 -58.47 -48.67 79.98 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.284 -0.871 . . . . 0.0 110.281 177.035 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . -76.5 -4.38 80.3 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.895 -0.669 . . . . 0.0 112.258 177.085 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 71' ' ' SER . . . . . . . . . . . . . 26.0 t -92.49 -18.21 23.49 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 109.635 -0.505 . . . . 0.0 109.635 178.222 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 72' ' ' VAL . . . . . 0.43 HG13 ' HB ' ' B' ' 44' ' ' ILE . 85.8 t -63.49 135.81 27.07 Favored 'Isoleucine or valine' 0 C--O 1.235 0.3 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.137 177.579 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 73' ' ' GLY . . . . . . . . . . . . . . . -58.0 122.41 29.44 Favored Glycine 0 N--CA 1.44 -1.06 0 N-CA-C 110.328 -1.109 . . . . 0.0 110.328 173.856 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 74' ' ' LYS . . . . . 0.584 ' O ' ' HG2' ' B' ' 78' ' ' MET . 48.2 mttp -60.79 -35.91 77.65 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-O 120.988 0.423 . . . . 0.0 110.054 -175.145 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 75' ' ' LYS . . . . . . . . . . . . . 56.8 tptt -63.98 -45.22 90.06 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.394 -0.821 . . . . 0.0 110.399 174.485 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 76' ' ' GLU . . . . . 0.53 ' O ' HG13 ' B' ' 80' ' ' ILE . 4.0 tp10 -59.49 -47.33 85.9 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.559 -0.746 . . . . 0.0 109.892 178.296 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 77' ' ' ALA . . . . . . . . . . . . . . . -55.23 -41.69 72.42 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.997 179.235 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 78' ' ' MET . . . . . 0.584 ' HG2' ' O ' ' B' ' 74' ' ' LYS . 63.3 mmm -57.71 -47.49 82.24 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.351 178.453 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 79' ' ' GLU . . . . . . . . . . . . . 29.9 mt-10 -69.81 -37.31 76.22 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.544 -0.753 . . . . 0.0 110.769 -179.123 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 80' ' ' ILE . . . . . 0.53 HG13 ' O ' ' B' ' 76' ' ' GLU . 97.0 mt -61.84 -52.28 62.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.706 178.276 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 81' ' ' ILE . . . . . 0.408 HG13 ' HB2' ' A' ' 92' ' ' LEU . 45.8 mm -60.42 -36.8 71.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.934 -179.155 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 82' ' ' LYS . . . . . . . . . . . . . 39.7 ttpt -62.0 -48.92 78.16 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.709 177.524 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 83' ' ' LYS . . . . . . . . . . . . . 34.9 mmtp -70.08 -31.85 69.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.732 179.03 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 84' ' ' PHE . . . . . 0.481 ' O ' ' HG ' ' B' ' 88' ' ' LEU . 2.1 t80 -61.78 -52.63 63.43 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.787 -0.642 . . . . 0.0 109.748 179.375 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 85' ' ' LYS . . . . . . . . . . . . . 99.7 mttt -59.9 -38.73 83.13 Favored 'General case' 0 C--O 1.233 0.218 0 CA-C-N 115.916 -0.583 . . . . 0.0 110.75 178.522 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 86' ' ' LYS . . . . . . . . . . . . . 59.4 tttm -63.41 -42.59 98.76 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.874 -0.603 . . . . 0.0 111.153 -179.591 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 87' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -72.86 -34.1 66.52 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.826 0.346 . . . . 0.0 110.103 -178.495 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 88' ' ' LEU . . . . . 0.481 ' HG ' ' O ' ' B' ' 84' ' ' PHE . 91.2 mt -58.75 -42.57 89.16 Favored 'General case' 0 CA--C 1.521 -0.155 0 CA-C-N 115.927 -0.578 . . . . 0.0 110.021 173.531 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 89' ' ' ALA . . . . . 0.488 ' O ' ' HG3' ' B' ' 93' ' ' ARG . . . -59.03 -44.12 91.7 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.582 -0.736 . . . . 0.0 110.563 178.072 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 90' ' ' ALA . . . . . 0.558 ' O ' HG13 ' B' ' 94' ' ' ILE . . . -61.55 -50.41 72.76 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.77 178.66 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 91' ' ' MET . . . . . . . . . . . . . 75.8 mtm -63.88 -35.13 79.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.168 -178.616 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 92' ' ' LEU . . . . . 0.425 ' HB2' HG13 ' A' ' 81' ' ' ILE . 57.4 tp -59.41 -44.65 92.8 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.207 0.527 . . . . 0.0 110.626 176.372 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 93' ' ' ARG . . . . . 0.488 ' HG3' ' O ' ' B' ' 89' ' ' ALA . 20.7 mtm180 -66.77 -30.22 70.37 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.675 -179.455 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 94' ' ' ILE . . . . . 0.558 HG13 ' O ' ' B' ' 90' ' ' ALA . 45.1 mt -72.43 -33.09 44.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.61 -0.268 . . . . 0.0 110.913 177.761 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 95' ' ' ILE . . . . . 0.607 HD11 ' NE1' ' A' ' 69' ' ' TRP . 19.9 mm -57.87 -50.0 79.2 Favored 'Isoleucine or valine' 0 C--O 1.232 0.183 0 CA-C-O 121.645 0.736 . . . . 0.0 109.1 172.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 96' ' ' ASN . . . . . . . . . . . . . 42.0 m-80 -67.49 -25.44 65.86 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 114.978 -1.01 . . . . 0.0 110.934 179.49 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 97' ' ' ALA . . . . . . . . . . . . . . . -70.94 -13.07 61.88 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.924 0.392 . . . . 0.0 110.91 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 98' ' ' ARG . . . . . 0.435 ' HG2' ' O ' ' B' ' 94' ' ' ILE . 26.5 mmt180 . . . . . 0 C--N 1.327 -0.395 0 CA-C-O 120.983 0.421 . . . . 0.0 110.176 178.067 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.445 -0.712 0 CA-C-O 120.322 -0.154 . . . . 0.0 112.783 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.639 ' HD2' ' SD ' ' A' ' 46' ' ' MET . 37.6 Cg_endo -66.69 176.8 3.93 Favored 'Trans proline' 0 C--N 1.343 0.272 0 C-N-CA 122.632 2.221 . . . . 0.0 111.497 175.049 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.433 ' HB ' HG22 ' A' ' 72' ' ' VAL . 23.0 pt -52.54 -38.85 27.56 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.381 0 N-CA-C 112.275 0.472 . . . . 0.0 112.275 -172.946 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' ARG . . . . . 0.404 HH11 ' HD3' ' A' ' 45' ' ' ARG . 39.4 mtp180 -54.81 -53.68 52.09 Favored 'General case' 0 N--CA 1.463 0.199 0 CA-C-O 121.39 0.614 . . . . 0.0 110.949 175.35 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' MET . . . . . 0.639 ' SD ' ' HD2' ' A' ' 43' ' ' PRO . 85.0 mtp -70.95 -19.49 62.56 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.449 -0.796 . . . . 0.0 111.156 -176.534 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.54 HG23 ' O ' ' A' ' 43' ' ' PRO . 97.1 t -67.17 -46.93 83.15 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.187 0 N-CA-C 110.131 -0.322 . . . . 0.0 110.131 176.804 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.4 HD13 ' HA ' ' A' ' 48' ' ' LEU . 4.0 mm? -65.29 -34.67 78.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.487 -0.324 . . . . 0.0 110.355 176.153 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -64.69 -52.48 56.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.559 178.981 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 14.4 tt -68.52 -28.77 41.59 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-O 120.954 0.407 . . . . 0.0 110.308 -179.522 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.571 ' O ' ' HG2' ' A' ' 55' ' ' ARG . 13.6 tp -62.53 -53.72 50.46 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.059 176.124 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.486 ' HB1' ' CZ ' ' B' ' 84' ' ' PHE . . . -54.59 -41.04 69.43 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.76 -0.655 . . . . 0.0 110.502 179.011 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 84.7 t80 -57.93 -57.61 12.04 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.626 -0.715 . . . . 0.0 109.842 173.457 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 96.0 mt -71.03 7.3 1.24 Allowed 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 112.478 0.547 . . . . 0.0 112.478 -177.787 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.571 ' HG2' ' O ' ' A' ' 51' ' ' LEU . 14.6 mmm180 -111.99 -46.18 3.24 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 121.862 -0.524 . . . . 0.0 111.591 172.519 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 4.7 t80 -79.23 -15.76 57.54 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.905 0.383 . . . . 0.0 110.563 -178.059 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 43.5 p -98.45 5.56 47.96 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 109.807 -0.442 . . . . 0.0 109.807 174.06 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.496 ' O ' ' HB ' ' A' ' 59' ' ' ILE . . . 65.87 -158.2 0.27 Allowed 'General case' 0 N--CA 1.462 0.14 0 CA-C-N 115.004 -0.998 . . . . 0.0 110.282 -172.165 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.496 ' HB ' ' O ' ' A' ' 58' ' ' ALA . 79.8 mt 76.67 141.15 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.465 0.281 0 O-C-N 123.51 0.506 . . . . 0.0 110.097 -176.38 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 64.3 tttp -79.35 117.55 67.66 Favored Pre-proline 0 C--N 1.324 -0.53 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.135 178.581 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 34.9 Cg_exo -60.36 123.63 13.5 Favored 'Trans proline' 0 N--CA 1.461 -0.427 0 C-N-CA 122.375 2.05 . . . . 0.0 111.184 177.078 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 13.5 m -56.94 146.84 25.48 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.973 -178.966 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 85.4 mt -61.34 -22.09 64.6 Favored 'General case' 0 C--O 1.225 -0.226 0 CA-C-N 115.405 -0.816 . . . . 0.0 112.536 -171.277 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -59.88 -44.29 97.23 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.222 -0.99 . . . . 0.0 111.141 174.414 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -69.33 -40.67 77.46 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 109.908 -0.404 . . . . 0.0 109.908 177.686 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.503 ' O ' ' HB3' ' A' ' 69' ' ' TRP . 48.8 mm -63.67 -34.96 71.05 Favored 'Isoleucine or valine' 0 C--O 1.236 0.38 0 CA-C-O 121.287 0.565 . . . . 0.0 110.913 179.376 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 3.6 m-80 -66.89 -40.88 87.88 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.837 -0.619 . . . . 0.0 110.991 177.24 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' ARG . . . . . 0.437 ' HB3' HG21 ' A' ' 47' ' ' VAL . 55.5 mtt180 -74.9 -31.48 61.58 Favored 'General case' 0 CA--C 1.519 -0.219 0 CA-C-O 121.202 0.525 . . . . 0.0 109.762 178.11 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 69' ' ' TRP . . . . . 0.631 ' CD1' HD11 ' B' ' 95' ' ' ILE . 45.0 t90 -53.1 -56.41 16.47 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 114.714 -1.13 . . . . 0.0 110.599 176.014 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -74.43 -5.03 71.37 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 121.082 -0.58 . . . . 0.0 113.179 177.707 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 72.7 m -84.33 -17.22 40.2 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.991 0.396 . . . . 0.0 110.557 177.348 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.433 HG22 ' HB ' ' A' ' 44' ' ' ILE . 14.2 t -71.32 127.85 33.76 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 N-CA-C 108.679 -0.86 . . . . 0.0 108.679 175.04 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 73' ' ' GLY . . . . . 0.456 ' O ' ' N ' ' A' ' 75' ' ' LYS . . . -77.55 44.9 2.3 Favored Glycine 0 CA--C 1.521 0.421 0 CA-C-O 119.359 -0.689 . . . . 0.0 114.398 -170.715 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.413 ' HA ' ' CG2' ' B' ' 95' ' ' ILE . 19.8 ptmt 49.72 -60.87 0.0 OUTLIER 'General case' 0 N--CA 1.484 1.272 0 C-N-CA 125.946 1.698 . . . . 0.0 115.334 177.485 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.465 ' HD3' ' C ' ' A' ' 75' ' ' LYS . 1.2 tmtp? -54.66 -52.92 60.83 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.439 0.638 . . . . 0.0 109.755 177.658 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 13.4 tp10 -50.93 -44.37 60.25 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 114.8 -1.091 . . . . 0.0 110.993 173.604 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -61.4 -37.06 82.1 Favored 'General case' 0 C--O 1.226 -0.174 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.733 179.8 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 65.0 mtt -59.63 -43.86 93.67 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.298 177.555 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -65.69 -42.84 90.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.699 176.937 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 88.6 mt -60.03 -54.21 37.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.793 179.06 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 46.8 mm -66.17 -35.86 76.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 116.035 -0.53 . . . . 0.0 111.334 -177.793 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 23.8 tptm -62.54 -48.81 77.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.856 0.36 . . . . 0.0 110.635 179.537 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 39.0 ttpt -70.29 -28.35 65.12 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.198 0.523 . . . . 0.0 110.245 179.772 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 84' ' ' PHE . . . . . 0.527 ' O ' ' HG ' ' A' ' 88' ' ' LEU . 14.5 t80 -64.88 -51.43 62.02 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.484 -0.78 . . . . 0.0 109.969 175.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 85' ' ' LYS . . . . . 0.44 ' HA ' HD12 ' A' ' 88' ' ' LEU . 98.5 mttt -58.88 -33.22 70.25 Favored 'General case' 0 C--O 1.232 0.184 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.053 175.776 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 27.1 tptp -64.54 -45.24 87.99 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.794 179.01 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -68.52 -36.68 79.19 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.051 0.453 . . . . 0.0 110.133 179.525 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.527 ' HG ' ' O ' ' A' ' 84' ' ' PHE . 93.2 mt -62.71 -42.14 99.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.75 177.136 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -60.26 -47.46 85.91 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.664 178.602 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 90' ' ' ALA . . . . . 0.608 ' O ' HG13 ' A' ' 94' ' ' ILE . . . -62.08 -45.56 92.97 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.719 178.685 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 6.2 tpt -64.16 -39.22 93.54 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.519 -177.265 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.433 ' O ' ' HB ' ' A' ' 95' ' ' ILE . 53.3 tp -60.05 -39.63 86.6 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.598 175.919 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 93' ' ' ARG . . . . . 0.484 ' HA ' ' ND2' ' A' ' 96' ' ' ASN . 94.2 mtt180 -71.5 -22.13 61.83 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.013 -0.539 . . . . 0.0 111.224 -179.618 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 94' ' ' ILE . . . . . 0.608 HG13 ' O ' ' A' ' 90' ' ' ALA . 11.4 mt -78.47 -28.81 14.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 C-N-CA 120.492 -0.483 . . . . 0.0 109.794 173.209 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.626 HD11 ' CD1' ' B' ' 69' ' ' TRP . 19.0 mm -60.61 -39.95 83.07 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.248 0 N-CA-C 109.231 -0.655 . . . . 0.0 109.231 170.404 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 96' ' ' ASN . . . . . 0.484 ' ND2' ' HA ' ' A' ' 93' ' ' ARG . 79.4 m-20 -59.76 -44.8 93.68 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.486 -0.779 . . . . 0.0 109.551 174.101 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -72.33 2.01 6.83 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.816 -0.629 . . . . 0.0 112.261 -179.691 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 98' ' ' ARG . . . . . 0.54 ' HG2' ' O ' ' A' ' 94' ' ' ILE . 5.6 mmp_? . . . . . 0 C--N 1.329 -0.297 0 CA-C-O 120.675 0.274 . . . . 0.0 110.529 176.949 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 42' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.445 -0.728 0 CA-C-O 120.238 -0.201 . . . . 0.0 112.726 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 43' ' ' PRO . . . . . 0.653 ' HD2' ' SD ' ' B' ' 46' ' ' MET . 38.2 Cg_endo -66.92 176.71 4.18 Favored 'Trans proline' 0 C--N 1.343 0.264 0 C-N-CA 122.682 2.255 . . . . 0.0 111.432 175.064 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 44' ' ' ILE . . . . . 0.433 ' HB ' HG22 ' B' ' 72' ' ' VAL . 23.4 pt -52.36 -38.87 26.52 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.415 0 N-CA-C 112.322 0.49 . . . . 0.0 112.322 -173.025 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 39.6 mtp180 -54.94 -53.53 54.45 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-O 121.438 0.637 . . . . 0.0 110.9 175.408 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 46' ' ' MET . . . . . 0.653 ' SD ' ' HD2' ' B' ' 43' ' ' PRO . 85.3 mtp -71.08 -19.55 62.46 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.489 -0.778 . . . . 0.0 111.131 -176.496 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 47' ' ' VAL . . . . . 0.543 HG23 ' O ' ' B' ' 43' ' ' PRO . 96.9 t -67.13 -46.96 83.18 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.191 0 N-CA-C 110.059 -0.349 . . . . 0.0 110.059 176.898 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 48' ' ' LEU . . . . . 0.427 HD13 ' HA ' ' B' ' 48' ' ' LEU . 4.0 mm? -65.28 -34.72 79.01 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.817 0.341 . . . . 0.0 110.431 176.144 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -64.56 -52.68 56.39 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.527 178.954 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 50' ' ' ILE . . . . . . . . . . . . . 14.4 tt -68.31 -28.75 41.86 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.183 0 CA-C-O 120.898 0.38 . . . . 0.0 110.371 -179.549 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 51' ' ' LEU . . . . . 0.574 ' O ' ' HG2' ' B' ' 55' ' ' ARG . 13.6 tp -62.51 -53.67 51.33 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.043 176.108 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 52' ' ' ALA . . . . . 0.464 ' HB1' ' CZ ' ' A' ' 84' ' ' PHE . . . -54.73 -40.87 69.72 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.53 179.083 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 53' ' ' PHE . . . . . . . . . . . . . 84.9 t80 -58.02 -57.59 12.14 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.618 -0.719 . . . . 0.0 109.916 173.385 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 54' ' ' LEU . . . . . . . . . . . . . 95.9 mt -70.95 7.14 1.25 Allowed 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 112.466 0.543 . . . . 0.0 112.466 -177.797 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 55' ' ' ARG . . . . . 0.574 ' HG2' ' O ' ' B' ' 51' ' ' LEU . 14.6 mmm180 -111.88 -46.39 3.24 Favored 'General case' 0 C--N 1.323 -0.563 0 O-C-N 121.864 -0.522 . . . . 0.0 111.516 172.61 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 56' ' ' PHE . . . . . . . . . . . . . 4.8 t80 -78.99 -15.9 57.64 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 120.889 0.376 . . . . 0.0 110.533 -177.955 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 57' ' ' THR . . . . . . . . . . . . . 43.6 p -98.25 5.57 48.25 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 109.791 -0.448 . . . . 0.0 109.791 174.16 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 58' ' ' ALA . . . . . 0.511 ' O ' ' HB ' ' B' ' 59' ' ' ILE . . . 65.68 -158.17 0.27 Allowed 'General case' 0 N--CA 1.461 0.116 0 CA-C-N 115.114 -0.948 . . . . 0.0 110.304 -171.948 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 59' ' ' ILE . . . . . 0.511 ' HB ' ' O ' ' B' ' 58' ' ' ALA . 80.2 mt 76.65 141.29 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.463 0.218 0 O-C-N 123.561 0.538 . . . . 0.0 110.125 -176.207 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 64.2 tttp -79.57 117.99 70.08 Favored Pre-proline 0 C--N 1.324 -0.536 0 N-CA-C 109.937 -0.394 . . . . 0.0 109.937 178.688 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 61' ' ' PRO . . . . . . . . . . . . . 33.7 Cg_exo -60.57 123.44 13.05 Favored 'Trans proline' 0 N--CA 1.462 -0.358 0 C-N-CA 122.337 2.024 . . . . 0.0 111.31 176.909 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 13.2 m -56.71 147.04 23.85 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.013 -178.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 85.4 mt -61.45 -22.15 64.79 Favored 'General case' 0 CA--C 1.52 -0.2 0 CA-C-N 115.409 -0.814 . . . . 0.0 112.622 -171.315 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -59.8 -44.53 96.94 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.207 -0.996 . . . . 0.0 111.069 174.557 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -68.9 -41.02 78.79 Favored 'General case' 0 C--O 1.223 -0.322 0 N-CA-C 109.96 -0.385 . . . . 0.0 109.96 177.721 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 66' ' ' ILE . . . . . 0.474 ' O ' ' HB3' ' B' ' 69' ' ' TRP . 49.3 mm -63.36 -34.97 70.37 Favored 'Isoleucine or valine' 0 C--O 1.236 0.35 0 CA-C-O 121.315 0.579 . . . . 0.0 110.909 179.324 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 67' ' ' ASN . . . . . . . . . . . . . 3.7 m-80 -67.0 -40.58 87.38 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.987 177.31 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 68' ' ' ARG . . . . . 0.439 ' HB3' HG21 ' B' ' 47' ' ' VAL . 55.3 mtt180 -75.24 -31.15 60.73 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.182 0.515 . . . . 0.0 109.681 178.209 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 69' ' ' TRP . . . . . 0.626 ' CD1' HD11 ' A' ' 95' ' ' ILE . 45.1 t90 -53.54 -56.39 17.45 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 114.741 -1.118 . . . . 0.0 110.534 176.112 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . -74.37 -4.52 69.46 Favored Glycine 0 CA--C 1.52 0.405 0 CA-C-N 115.951 -0.568 . . . . 0.0 113.198 177.396 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 71' ' ' SER . . . . . . . . . . . . . 74.4 m -84.88 -17.17 38.75 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 117.06 0.43 . . . . 0.0 110.497 177.052 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 72' ' ' VAL . . . . . 0.433 HG22 ' HB ' ' B' ' 44' ' ' ILE . 14.4 t -71.29 128.06 33.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 N-CA-C 108.604 -0.888 . . . . 0.0 108.604 175.149 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 73' ' ' GLY . . . . . 0.457 ' O ' ' N ' ' B' ' 75' ' ' LYS . . . -77.59 45.07 2.34 Favored Glycine 0 C--O 1.225 -0.454 0 CA-C-O 119.336 -0.702 . . . . 0.0 114.431 -170.895 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 74' ' ' LYS . . . . . 0.409 ' HA ' ' CG2' ' A' ' 95' ' ' ILE . 19.8 ptmt 49.67 -61.15 0.0 OUTLIER 'General case' 0 N--CA 1.484 1.226 0 C-N-CA 125.923 1.689 . . . . 0.0 115.329 177.458 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 75' ' ' LYS . . . . . 0.485 ' C ' ' HD3' ' B' ' 75' ' ' LYS . 1.2 tmtp? -54.52 -52.69 61.21 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.402 0.62 . . . . 0.0 109.709 177.694 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 76' ' ' GLU . . . . . 0.416 ' HG2' HD12 ' B' ' 44' ' ' ILE . 13.5 tp10 -51.21 -44.27 61.58 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 114.777 -1.101 . . . . 0.0 110.939 173.796 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 77' ' ' ALA . . . . . . . . . . . . . . . -61.51 -36.67 81.17 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.726 179.863 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 78' ' ' MET . . . . . . . . . . . . . 66.1 mtt -60.02 -43.94 94.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.335 177.529 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 79' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -65.6 -42.88 91.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.669 176.882 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 80' ' ' ILE . . . . . . . . . . . . . 88.1 mt -59.89 -54.41 35.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.812 178.932 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 81' ' ' ILE . . . . . . . . . . . . . 46.9 mm -66.08 -36.06 76.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.29 -177.727 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 82' ' ' LYS . . . . . . . . . . . . . 23.8 tptm -62.32 -48.9 77.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.908 0.385 . . . . 0.0 110.679 179.462 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 83' ' ' LYS . . . . . . . . . . . . . 39.1 ttpt -70.18 -28.2 65.13 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.175 0.512 . . . . 0.0 110.222 179.825 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 84' ' ' PHE . . . . . 0.53 ' O ' ' HG ' ' B' ' 88' ' ' LEU . 14.6 t80 -65.01 -51.18 63.07 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.488 -0.778 . . . . 0.0 109.91 176.089 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 85' ' ' LYS . . . . . 0.451 ' HA ' HD12 ' B' ' 88' ' ' LEU . 98.4 mttt -59.0 -33.48 70.75 Favored 'General case' 0 N--CA 1.462 0.143 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.065 175.91 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 86' ' ' LYS . . . . . . . . . . . . . 27.1 tptp -64.28 -45.38 88.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.792 178.895 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 87' ' ' ASP . . . . . . . . . . . . . 35.6 t70 -68.45 -36.64 79.31 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.983 0.421 . . . . 0.0 110.093 179.562 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 88' ' ' LEU . . . . . 0.53 ' HG ' ' O ' ' B' ' 84' ' ' PHE . 93.6 mt -62.76 -42.12 99.53 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.703 177.224 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -60.22 -47.73 84.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.702 178.604 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 90' ' ' ALA . . . . . 0.594 ' O ' HG13 ' B' ' 94' ' ' ILE . . . -61.72 -45.77 92.55 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.72 178.542 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 91' ' ' MET . . . . . . . . . . . . . 6.2 tpt -64.02 -39.19 93.54 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.497 -177.162 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 92' ' ' LEU . . . . . 0.427 ' O ' ' HB ' ' B' ' 95' ' ' ILE . 53.2 tp -60.13 -39.52 86.57 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.59 176.017 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 93' ' ' ARG . . . . . 0.485 ' HA ' ' ND2' ' B' ' 96' ' ' ASN . 94.4 mtt180 -71.61 -22.11 61.75 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.144 -179.519 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 94' ' ' ILE . . . . . 0.594 HG13 ' O ' ' B' ' 90' ' ' ALA . 11.2 mt -78.44 -28.83 14.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 N-CA-C 109.745 -0.465 . . . . 0.0 109.745 173.29 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 95' ' ' ILE . . . . . 0.631 HD11 ' CD1' ' A' ' 69' ' ' TRP . 19.2 mm -60.6 -39.94 83.01 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.211 0 N-CA-C 109.246 -0.65 . . . . 0.0 109.246 170.437 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 96' ' ' ASN . . . . . 0.485 ' ND2' ' HA ' ' B' ' 93' ' ' ARG . 80.1 m-20 -59.77 -44.74 93.74 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.431 -0.804 . . . . 0.0 109.512 174.101 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 97' ' ' ALA . . . . . . . . . . . . . . . -72.26 1.86 6.99 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.814 -0.63 . . . . 0.0 112.258 -179.64 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 98' ' ' ARG . . . . . 0.531 ' HG2' ' O ' ' B' ' 94' ' ' ILE . 5.6 mmp_? . . . . . 0 C--N 1.329 -0.318 0 CA-C-O 120.646 0.26 . . . . 0.0 110.631 177.035 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.442 -0.948 0 CA-C-O 120.188 -0.229 . . . . 0.0 112.798 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.572 ' HD2' ' SD ' ' A' ' 46' ' ' MET . 26.5 Cg_exo -64.43 179.09 1.35 Allowed 'Trans proline' 0 C--N 1.343 0.273 0 C-N-CA 122.765 2.31 . . . . 0.0 110.829 169.935 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 35.3 pt -52.79 -39.69 32.2 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.451 0 N-CA-C 112.596 0.591 . . . . 0.0 112.596 -172.413 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' ARG . . . . . 0.401 ' HA ' HD13 ' A' ' 80' ' ' ILE . 97.0 mtt180 -60.89 -48.18 82.98 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 121.111 0.481 . . . . 0.0 110.634 177.719 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' MET . . . . . 0.572 ' SD ' ' HD2' ' A' ' 43' ' ' PRO . 1.9 mpt? -69.9 -27.9 65.17 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.909 -179.127 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.547 HG23 ' O ' ' A' ' 43' ' ' PRO . 90.6 t -58.45 -46.71 89.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 N-CA-C 110.126 -0.324 . . . . 0.0 110.126 176.201 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 11.0 mp -68.21 -31.92 71.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.03 177.854 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -66.55 -50.13 64.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.989 0.424 . . . . 0.0 110.996 176.083 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.534 HG13 ' O ' ' A' ' 46' ' ' MET . 54.7 mt -66.92 -29.89 47.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 115.999 -0.546 . . . . 0.0 109.771 178.315 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.533 ' O ' ' HG2' ' A' ' 55' ' ' ARG . 16.5 tp -58.33 -56.68 18.93 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.055 174.957 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -56.52 -39.49 73.43 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.826 179.803 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.427 ' HB3' ' O ' ' A' ' 50' ' ' ILE . 90.1 t80 -52.74 -58.48 6.72 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.66 -0.7 . . . . 0.0 109.63 173.711 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.554 HD13 ' H ' ' A' ' 62' ' ' SER . 83.9 mt -70.34 -6.71 37.18 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.237 -0.438 . . . . 0.0 112.103 -178.256 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.533 ' HG2' ' O ' ' A' ' 51' ' ' LEU . 25.1 mmm180 -87.82 -35.78 17.61 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.773 0.32 . . . . 0.0 111.296 177.839 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 56' ' ' PHE . . . . . 0.437 ' CZ ' ' HA ' ' B' ' 84' ' ' PHE . 66.8 m-85 -109.88 -12.67 14.55 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.92 -176.036 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 22.8 p -108.15 4.52 24.96 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.057 0.456 . . . . 0.0 110.705 178.035 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -164.47 167.06 19.92 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.401 -177.634 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 18.8 mm -118.28 50.79 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-O 121.823 0.821 . . . . 0.0 109.34 175.877 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 57.2 tptt 174.55 105.31 0.08 OUTLIER Pre-proline 0 C--N 1.321 -0.647 0 CA-C-N 114.589 -1.187 . . . . 0.0 110.285 -178.002 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' PRO . . . . . 0.526 ' HB2' HD11 ' A' ' 66' ' ' ILE . 4.9 Cg_exo -77.6 134.49 13.77 Favored 'Trans proline' 0 N--CA 1.457 -0.651 0 C-N-CA 122.535 2.156 . . . . 0.0 111.272 173.438 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 62' ' ' SER . . . . . 0.554 ' H ' HD13 ' A' ' 54' ' ' LEU . 5.9 m -59.32 138.09 57.75 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.961 -178.587 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 96.0 mt -62.47 -26.58 68.6 Favored 'General case' 0 N--CA 1.462 0.154 0 CA-C-N 115.67 -0.696 . . . . 0.0 112.28 -173.589 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -63.93 -47.07 89.4 Favored Glycine 0 N--CA 1.45 -0.406 0 C-N-CA 120.557 -0.83 . . . . 0.0 111.117 175.218 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.42 HD23 ' HB2' ' A' ' 62' ' ' SER . 4.3 mm? -64.44 -40.09 95.07 Favored 'General case' 0 C--O 1.218 -0.585 0 N-CA-C 110.162 -0.31 . . . . 0.0 110.162 176.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.526 HD11 ' HB2' ' A' ' 61' ' ' PRO . 37.2 mm -59.66 -43.82 92.12 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.339 0 CA-C-O 121.099 0.476 . . . . 0.0 111.108 177.945 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 24.3 t-20 -57.68 -42.96 84.67 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.736 -0.665 . . . . 0.0 111.006 178.721 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 23.0 ttm180 -82.8 -23.88 33.64 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.049 0.452 . . . . 0.0 110.178 -177.974 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' TRP . . . . . 0.569 ' CD1' HD11 ' B' ' 95' ' ' ILE . 44.2 t90 -60.84 -52.19 66.13 Favored 'General case' 0 C--N 1.324 -0.531 0 C-N-CA 123.938 0.895 . . . . 0.0 110.646 176.715 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -69.04 -13.09 66.34 Favored Glycine 0 CA--C 1.522 0.514 0 C-N-CA 120.999 -0.619 . . . . 0.0 112.344 175.742 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 53.6 m -89.69 -2.33 58.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.914 0.387 . . . . 0.0 111.017 -179.748 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 56.8 t -78.6 138.66 19.76 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.587 0 N-CA-C 109.403 -0.592 . . . . 0.0 109.403 176.126 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -59.62 129.04 48.08 Favored Glycine 0 N--CA 1.442 -0.927 0 N-CA-C 110.356 -1.097 . . . . 0.0 110.356 174.754 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.515 ' O ' ' HG3' ' A' ' 78' ' ' MET . 0.2 OUTLIER -68.23 -23.39 64.8 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-O 121.618 0.723 . . . . 0.0 110.439 -173.425 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 20.2 tptm -74.55 -47.76 30.83 Favored 'General case' 0 C--N 1.31 -1.15 0 CA-C-N 114.498 -1.228 . . . . 0.0 109.828 170.916 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 76' ' ' GLU . . . . . 0.516 ' O ' HG13 ' A' ' 80' ' ' ILE . 14.3 tp10 -62.34 -39.51 93.34 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.513 -0.767 . . . . 0.0 110.366 -178.837 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -58.16 -39.45 78.88 Favored 'General case' 0 N--CA 1.454 -0.263 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.79 178.205 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 78' ' ' MET . . . . . 0.515 ' HG3' ' O ' ' A' ' 74' ' ' LYS . 89.3 mtp -60.65 -44.59 96.25 Favored 'General case' 0 CA--C 1.519 -0.243 0 CA-C-O 121.101 0.477 . . . . 0.0 109.854 176.626 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -65.31 -43.31 91.44 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.462 -0.79 . . . . 0.0 110.804 179.078 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.516 HG13 ' O ' ' A' ' 76' ' ' GLU . 86.2 mt -61.62 -53.29 50.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.64 179.047 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.449 ' O ' ' HG3' ' A' ' 85' ' ' LYS . 35.4 mm -59.67 -39.83 80.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.149 -178.578 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 82' ' ' LYS . . . . . 0.51 ' O ' ' HG2' ' A' ' 86' ' ' LYS . 25.2 ttmm -59.6 -51.41 69.93 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.929 0.395 . . . . 0.0 110.746 178.36 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 55.4 mtmt -71.28 -26.1 62.73 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.936 -179.492 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 84' ' ' PHE . . . . . 0.453 ' HA ' ' CZ ' ' B' ' 56' ' ' PHE . 7.2 t80 -64.64 -48.56 74.39 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 109.295 -0.631 . . . . 0.0 109.295 175.331 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 85' ' ' LYS . . . . . 0.449 ' HG3' ' O ' ' A' ' 81' ' ' ILE . 99.5 mttt -59.91 -34.65 73.49 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-N 115.513 -0.767 . . . . 0.0 110.969 177.185 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 86' ' ' LYS . . . . . 0.51 ' HG2' ' O ' ' A' ' 82' ' ' LYS . 74.9 mmtt -64.97 -42.03 94.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.426 179.764 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 35.9 t70 -71.97 -35.54 69.56 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.897 0.379 . . . . 0.0 110.067 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 91.5 mt -58.94 -44.71 91.43 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.026 174.463 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -62.42 -40.32 96.17 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.511 -0.768 . . . . 0.0 110.762 178.147 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 90' ' ' ALA . . . . . 0.625 ' O ' HG13 ' A' ' 94' ' ' ILE . . . -63.49 -46.97 83.65 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.635 179.381 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 94.9 mmm -63.5 -38.67 92.03 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.727 179.303 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 49.2 tp -59.15 -46.01 89.47 Favored 'General case' 0 C--O 1.24 0.579 0 CA-C-O 121.311 0.577 . . . . 0.0 110.571 176.538 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 71.8 mtp180 -58.75 -36.85 75.01 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.536 -0.756 . . . . 0.0 110.766 178.304 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 94' ' ' ILE . . . . . 0.625 HG13 ' O ' ' A' ' 90' ' ' ALA . 27.8 mt -69.18 -36.71 74.3 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.628 -0.26 . . . . 0.0 110.738 179.161 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.57 HD11 ' CD1' ' B' ' 69' ' ' TRP . 19.4 mm -51.54 -53.63 15.49 Favored 'Isoleucine or valine' 0 C--O 1.235 0.326 0 CA-C-O 121.319 0.58 . . . . 0.0 110.0 175.368 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -82.85 -16.02 49.27 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.757 -0.656 . . . . 0.0 111.121 -176.144 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -66.54 -43.02 86.27 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.09 0.472 . . . . 0.0 110.696 178.457 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 98' ' ' ARG . . . . . 0.526 ' HG2' ' O ' ' A' ' 94' ' ' ILE . 12.2 ptp180 . . . . . 0 C--N 1.322 -0.598 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.915 -175.621 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 42' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.442 -0.96 0 CA-C-O 120.132 -0.26 . . . . 0.0 112.75 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 43' ' ' PRO . . . . . 0.569 ' HD2' ' SD ' ' B' ' 46' ' ' MET . 26.3 Cg_exo -64.58 179.13 1.39 Allowed 'Trans proline' 0 C--N 1.344 0.297 0 C-N-CA 122.713 2.275 . . . . 0.0 110.772 169.947 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 35.1 pt -52.78 -39.74 32.37 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.422 0 N-CA-C 112.541 0.571 . . . . 0.0 112.541 -172.401 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 45' ' ' ARG . . . . . 0.409 ' HA ' HD13 ' B' ' 80' ' ' ILE . 97.0 mtt180 -60.8 -48.21 82.84 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-O 121.175 0.512 . . . . 0.0 110.643 177.756 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 46' ' ' MET . . . . . 0.569 ' SD ' ' HD2' ' B' ' 43' ' ' PRO . 1.9 mpt? -69.87 -27.93 65.23 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.844 -0.617 . . . . 0.0 110.91 -179.118 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 47' ' ' VAL . . . . . 0.548 HG23 ' O ' ' B' ' 43' ' ' PRO . 90.8 t -58.44 -46.66 89.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 N-CA-C 110.172 -0.307 . . . . 0.0 110.172 176.182 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 11.0 mp -68.37 -31.8 71.43 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.012 177.945 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -66.59 -50.17 63.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.962 0.41 . . . . 0.0 110.995 175.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 50' ' ' ILE . . . . . 0.545 HG13 ' O ' ' B' ' 46' ' ' MET . 54.9 mt -66.91 -29.91 47.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 115.983 -0.553 . . . . 0.0 109.785 178.297 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 51' ' ' LEU . . . . . 0.531 ' O ' ' HG2' ' B' ' 55' ' ' ARG . 16.5 tp -58.32 -56.63 19.6 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.602 -0.726 . . . . 0.0 110.091 174.974 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -56.66 -39.33 73.55 Favored 'General case' 0 CA--C 1.519 -0.217 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.822 179.779 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 53' ' ' PHE . . . . . 0.431 ' HB3' ' O ' ' B' ' 50' ' ' ILE . 90.3 t80 -52.78 -58.38 7.08 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.779 -0.646 . . . . 0.0 109.697 173.609 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 54' ' ' LEU . . . . . 0.56 HD13 ' H ' ' B' ' 62' ' ' SER . 83.8 mt -70.47 -6.6 37.11 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 112.138 0.422 . . . . 0.0 112.138 -178.277 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 55' ' ' ARG . . . . . 0.531 ' HG2' ' O ' ' B' ' 51' ' ' LEU . 25.1 mmm180 -88.05 -35.44 17.53 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.902 0.382 . . . . 0.0 111.304 177.789 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 56' ' ' PHE . . . . . 0.453 ' CZ ' ' HA ' ' A' ' 84' ' ' PHE . 67.6 m-85 -110.25 -12.43 14.46 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.941 -176.085 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 57' ' ' THR . . . . . . . . . . . . . 22.2 p -108.34 4.5 24.56 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.024 0.44 . . . . 0.0 110.747 177.82 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -164.53 166.43 20.36 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.44 -177.482 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 59' ' ' ILE . . . . . . . . . . . . . 18.9 mm -117.6 50.85 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-O 121.862 0.839 . . . . 0.0 109.416 175.826 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 57.2 tptt 174.62 105.38 0.08 OUTLIER Pre-proline 0 C--N 1.321 -0.662 0 CA-C-N 114.621 -1.172 . . . . 0.0 110.344 -178.148 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 61' ' ' PRO . . . . . 0.513 ' HB2' HD11 ' B' ' 66' ' ' ILE . 5.0 Cg_exo -77.69 134.15 13.36 Favored 'Trans proline' 0 N--CA 1.458 -0.608 0 C-N-CA 122.474 2.116 . . . . 0.0 111.269 173.603 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 62' ' ' SER . . . . . 0.56 ' H ' HD13 ' B' ' 54' ' ' LEU . 6.2 m -58.96 137.94 57.67 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.989 -178.597 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 96.3 mt -62.42 -26.35 68.44 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 115.624 -0.716 . . . . 0.0 112.327 -173.8 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -64.17 -46.85 89.91 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.367 -0.92 . . . . 0.0 111.248 174.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 65' ' ' LEU . . . . . 0.424 HD23 ' HB2' ' B' ' 62' ' ' SER . 4.3 mm? -64.59 -39.99 94.72 Favored 'General case' 0 C--O 1.218 -0.587 0 CA-C-N 115.531 -0.335 . . . . 0.0 110.175 177.023 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 66' ' ' ILE . . . . . 0.513 HD11 ' HB2' ' B' ' 61' ' ' PRO . 36.7 mm -59.81 -43.77 92.56 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.327 0 CA-C-O 121.12 0.486 . . . . 0.0 111.061 178.046 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 67' ' ' ASN . . . . . . . . . . . . . 24.2 t-20 -57.7 -43.05 84.88 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.735 -0.666 . . . . 0.0 111.046 178.8 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 68' ' ' ARG . . . . . . . . . . . . . 22.8 ttm180 -82.62 -23.98 34.07 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.106 0.479 . . . . 0.0 110.246 -178.138 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 69' ' ' TRP . . . . . 0.57 ' CD1' HD11 ' A' ' 95' ' ' ILE . 44.3 t90 -60.77 -52.15 66.3 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.107 -0.951 . . . . 0.0 110.662 176.732 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . -69.22 -12.84 66.49 Favored Glycine 0 CA--C 1.521 0.453 0 C-N-CA 120.952 -0.642 . . . . 0.0 112.409 175.724 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 71' ' ' SER . . . . . . . . . . . . . 51.7 m -90.08 -1.51 57.97 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.874 0.368 . . . . 0.0 111.001 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 72' ' ' VAL . . . . . . . . . . . . . 56.0 t -79.35 138.46 19.96 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 N-CA-C 109.495 -0.557 . . . . 0.0 109.495 175.857 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 73' ' ' GLY . . . . . . . . . . . . . . . -59.36 129.07 48.55 Favored Glycine 0 N--CA 1.441 -0.985 0 N-CA-C 110.481 -1.048 . . . . 0.0 110.481 174.811 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 74' ' ' LYS . . . . . 0.523 ' O ' ' HG3' ' B' ' 78' ' ' MET . 0.2 OUTLIER -68.46 -22.82 64.55 Favored 'General case' 0 C--N 1.317 -0.829 0 CA-C-O 121.709 0.766 . . . . 0.0 110.392 -173.506 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 75' ' ' LYS . . . . . . . . . . . . . 20.2 tptm -75.12 -47.96 26.1 Favored 'General case' 0 C--N 1.31 -1.133 0 CA-C-N 114.521 -1.218 . . . . 0.0 109.71 170.95 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 76' ' ' GLU . . . . . 0.515 ' O ' HG13 ' B' ' 80' ' ' ILE . 14.6 tp10 -62.07 -39.75 93.47 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.537 -0.756 . . . . 0.0 110.457 -178.961 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 77' ' ' ALA . . . . . . . . . . . . . . . -57.9 -39.5 78.06 Favored 'General case' 0 N--CA 1.453 -0.289 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.729 178.242 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 78' ' ' MET . . . . . 0.523 ' HG3' ' O ' ' B' ' 74' ' ' LYS . 90.3 mtp -60.78 -44.56 96.63 Favored 'General case' 0 CA--C 1.519 -0.231 0 N-CA-C 109.73 -0.47 . . . . 0.0 109.73 176.779 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 79' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -65.41 -43.18 91.37 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.467 -0.788 . . . . 0.0 110.742 179.26 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 80' ' ' ILE . . . . . 0.515 HG13 ' O ' ' B' ' 76' ' ' GLU . 85.8 mt -61.67 -53.43 48.46 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.617 178.973 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 81' ' ' ILE . . . . . 0.448 ' O ' ' HG3' ' B' ' 85' ' ' LYS . 35.5 mm -59.61 -39.89 80.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.139 -178.493 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 82' ' ' LYS . . . . . 0.503 ' O ' ' HG2' ' B' ' 86' ' ' LYS . 25.2 ttmm -59.56 -51.24 70.7 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.881 0.372 . . . . 0.0 110.757 178.42 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 83' ' ' LYS . . . . . . . . . . . . . 55.4 mtmt -71.25 -26.52 62.94 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.924 -179.522 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 84' ' ' PHE . . . . . 0.437 ' HA ' ' CZ ' ' A' ' 56' ' ' PHE . 7.2 t80 -64.25 -48.62 75.06 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 109.298 -0.63 . . . . 0.0 109.298 175.459 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 85' ' ' LYS . . . . . 0.448 ' HG3' ' O ' ' B' ' 81' ' ' ILE . 99.4 mttt -59.75 -34.82 73.46 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-N 115.547 -0.751 . . . . 0.0 110.967 177.194 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 86' ' ' LYS . . . . . 0.503 ' HG2' ' O ' ' B' ' 82' ' ' LYS . 74.9 mmtt -65.09 -41.42 95.03 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.548 179.816 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 87' ' ' ASP . . . . . . . . . . . . . 35.3 t70 -72.28 -35.63 68.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.823 0.344 . . . . 0.0 110.134 179.564 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 91.8 mt -58.98 -44.78 91.61 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.055 174.49 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -62.32 -40.43 96.32 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.494 -0.776 . . . . 0.0 110.697 178.257 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 90' ' ' ALA . . . . . 0.624 ' O ' HG13 ' B' ' 94' ' ' ILE . . . -63.34 -46.96 84.19 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.741 179.302 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 91' ' ' MET . . . . . . . . . . . . . 94.9 mmm -63.71 -38.77 92.36 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.581 179.288 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 92' ' ' LEU . . . . . . . . . . . . . 49.6 tp -59.02 -45.86 89.64 Favored 'General case' 0 C--O 1.24 0.553 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.618 176.58 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 93' ' ' ARG . . . . . . . . . . . . . 72.1 mtp180 -58.76 -37.1 75.49 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.503 -0.771 . . . . 0.0 110.788 178.113 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 94' ' ' ILE . . . . . 0.624 HG13 ' O ' ' B' ' 90' ' ' ALA . 27.9 mt -68.84 -36.74 75.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.749 -0.205 . . . . 0.0 110.758 179.267 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 95' ' ' ILE . . . . . 0.569 HD11 ' CD1' ' A' ' 69' ' ' TRP . 19.4 mm -51.42 -53.93 13.86 Favored 'Isoleucine or valine' 0 C--O 1.236 0.354 0 CA-C-O 121.351 0.596 . . . . 0.0 109.929 175.416 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 96' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -82.83 -15.99 49.47 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.736 -0.665 . . . . 0.0 111.155 -176.01 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 97' ' ' ALA . . . . . . . . . . . . . . . -66.45 -43.32 85.87 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 121.033 0.444 . . . . 0.0 110.747 178.268 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 98' ' ' ARG . . . . . 0.543 ' HG2' ' O ' ' B' ' 94' ' ' ILE . 12.3 ptp180 . . . . . 0 C--N 1.321 -0.663 0 CA-C-N 115.765 -0.652 . . . . 0.0 111.027 -175.673 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.445 -0.733 0 CA-C-O 119.912 -0.382 . . . . 0.0 112.21 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.506 ' HD2' ' SD ' ' A' ' 46' ' ' MET . 39.8 Cg_exo -62.18 174.45 2.57 Favored 'Trans proline' 0 C--N 1.345 0.388 0 C-N-CA 122.883 2.388 . . . . 0.0 111.591 173.321 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 22.7 pt -52.38 -41.54 35.47 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.406 0 N-CA-C 112.64 0.607 . . . . 0.0 112.64 -173.384 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 -56.9 -46.87 81.65 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-O 121.354 0.597 . . . . 0.0 110.615 176.747 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' MET . . . . . 0.558 ' HG2' ' HA ' ' B' ' 57' ' ' THR . 70.3 mtp -70.04 -24.3 63.24 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.332 -0.849 . . . . 0.0 111.259 -178.753 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.484 HG23 ' O ' ' A' ' 43' ' ' PRO . 84.4 t -65.73 -48.83 80.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.622 0.249 . . . . 0.0 110.584 177.837 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -62.27 -39.62 93.52 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.931 0.396 . . . . 0.0 110.381 176.865 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -67.78 -48.18 67.05 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.741 -179.045 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.43 ' O ' ' HG ' ' A' ' 54' ' ' LEU . 15.0 tt -69.73 -28.61 37.9 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-O 120.61 0.243 . . . . 0.0 110.674 -177.666 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.641 HD23 ' SD ' ' B' ' 91' ' ' MET . 7.6 tp -68.61 -49.99 54.95 Favored 'General case' 0 N--CA 1.449 -0.506 0 C-N-CA 120.484 -0.486 . . . . 0.0 109.736 179.186 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -57.34 -39.19 75.39 Favored 'General case' 0 CA--C 1.517 -0.302 0 CA-C-O 121.217 0.532 . . . . 0.0 110.199 176.583 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.416 ' HB3' ' O ' ' A' ' 50' ' ' ILE . 88.7 t80 -54.75 -58.76 6.25 Favored 'General case' 0 N--CA 1.45 -0.445 0 CA-C-N 115.295 -0.866 . . . . 0.0 109.538 173.011 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.43 ' HG ' ' O ' ' A' ' 50' ' ' ILE . 89.1 mt -62.28 -18.05 60.25 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.827 -179.61 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.527 ' HG2' ' O ' ' A' ' 51' ' ' LEU . 26.2 mmm180 -77.83 -50.86 11.45 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.807 0.337 . . . . 0.0 111.358 178.376 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 56' ' ' PHE . . . . . 0.544 ' CZ ' ' HA ' ' B' ' 84' ' ' PHE . 54.7 m-85 -96.02 -7.7 35.58 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 112.415 0.524 . . . . 0.0 112.415 -174.043 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 57' ' ' THR . . . . . 0.556 ' HA ' ' HG2' ' B' ' 46' ' ' MET . 31.5 p -107.58 -30.51 8.57 Favored 'General case' 0 C--N 1.323 -0.546 0 C-N-CA 120.075 -0.65 . . . . 0.0 111.467 176.808 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -128.48 -176.56 3.86 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.235 -172.092 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 74.3 mt -120.92 118.77 57.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.15 176.357 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 57.2 tptt 68.27 98.41 0.04 OUTLIER Pre-proline 0 N--CA 1.464 0.252 0 O-C-N 124.09 0.869 . . . . 0.0 111.207 179.474 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 33.8 Cg_exo -61.23 149.68 88.17 Favored 'Trans proline' 0 C--O 1.233 0.241 0 C-N-CA 122.957 2.438 . . . . 0.0 112.216 177.192 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' SER . . . . . 0.454 ' HB2' HD23 ' A' ' 65' ' ' LEU . 3.9 m -65.25 139.12 58.6 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.877 -0.601 . . . . 0.0 111.161 -177.794 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -63.56 -21.12 66.17 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.395 -0.821 . . . . 0.0 112.333 -173.022 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -65.67 -44.91 91.68 Favored Glycine 0 C--O 1.238 0.381 0 C-N-CA 120.591 -0.814 . . . . 0.0 111.575 176.115 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.454 HD23 ' HB2' ' A' ' 62' ' ' SER . 3.3 mm? -66.46 -35.45 80.32 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 109.433 -0.58 . . . . 0.0 109.433 175.771 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.448 ' O ' ' HB3' ' A' ' 69' ' ' TRP . 35.6 mm -63.22 -35.05 70.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 115.822 -0.627 . . . . 0.0 110.668 176.798 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 28.1 t-20 -65.51 -43.17 90.92 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.88 178.397 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 33.4 ttm180 -82.48 -18.38 41.85 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.36 0.6 . . . . 0.0 110.255 -179.276 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 69' ' ' TRP . . . . . 0.577 ' NE1' HD11 ' B' ' 95' ' ' ILE . 22.7 t90 -55.58 -47.97 75.59 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.098 -0.956 . . . . 0.0 110.399 175.844 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 70' ' ' GLY . . . . . 0.417 ' HA2' ' HG3' ' B' ' 98' ' ' ARG . . . -82.34 8.14 62.22 Favored Glycine 0 N--CA 1.447 -0.602 0 C-N-CA 120.885 -0.674 . . . . 0.0 112.794 177.942 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 17.0 t -92.1 -11.02 36.88 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 109.529 -0.545 . . . . 0.0 109.529 177.235 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 17.4 t -74.94 136.63 24.71 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 N-CA-C 108.749 -0.834 . . . . 0.0 108.749 174.797 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -77.36 35.98 1.55 Allowed Glycine 0 CA--C 1.52 0.399 0 N-CA-C 114.654 0.622 . . . . 0.0 114.654 -170.356 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 58.0 mttp 62.19 -71.45 0.05 OUTLIER 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 123.734 0.814 . . . . 0.0 112.626 175.205 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 21.7 tptm -58.49 -36.76 74.26 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.898 0.38 . . . . 0.0 110.337 178.141 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 76' ' ' GLU . . . . . 0.425 ' O ' HG13 ' A' ' 80' ' ' ILE . 16.0 tp10 -60.93 -42.9 99.06 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.012 -0.54 . . . . 0.0 109.967 176.725 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.416 ' O ' HG12 ' A' ' 81' ' ' ILE . . . -62.82 -38.53 91.11 Favored 'General case' 0 C--O 1.223 -0.31 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.404 178.91 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 65.1 mtt -58.89 -39.91 82.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.163 0.506 . . . . 0.0 110.246 177.893 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 18.2 mm-40 -71.31 -45.73 62.36 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.424 -0.807 . . . . 0.0 111.08 178.743 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.425 HG13 ' O ' ' A' ' 76' ' ' GLU . 89.2 mt -60.8 -50.02 82.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.793 178.587 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.416 HG12 ' O ' ' A' ' 77' ' ' ALA . 36.2 mm -64.31 -35.5 74.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.353 -178.153 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 23.3 tptm -63.0 -44.67 95.38 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.912 0.387 . . . . 0.0 110.1 177.774 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 63.9 tttm -70.6 -32.39 69.74 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.042 178.417 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 84' ' ' PHE . . . . . 0.545 ' HA ' ' CZ ' ' B' ' 56' ' ' PHE . 5.2 t80 -62.33 -53.73 50.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.619 -0.718 . . . . 0.0 109.748 177.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -59.15 -36.59 75.53 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.927 177.207 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 53.5 tptt -66.64 -40.55 88.74 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.766 -179.36 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -68.58 -38.07 80.39 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 109.595 -0.52 . . . . 0.0 109.595 178.749 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.541 ' HG ' ' O ' ' A' ' 84' ' ' PHE . 92.7 mt -62.16 -37.02 83.63 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.559 175.644 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 89' ' ' ALA . . . . . 0.51 ' O ' ' HG3' ' A' ' 93' ' ' ARG . . . -62.72 -48.83 77.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.724 179.356 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 90' ' ' ALA . . . . . 0.563 ' O ' HG13 ' A' ' 94' ' ' ILE . . . -61.7 -45.61 93.22 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.236 177.602 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 91' ' ' MET . . . . . 0.628 ' SD ' HD23 ' B' ' 51' ' ' LEU . 49.8 ttp -56.2 -44.49 79.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.44 -0.8 . . . . 0.0 110.716 178.181 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 67.2 tp -57.82 -41.83 83.06 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.613 -0.721 . . . . 0.0 111.16 179.157 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 93' ' ' ARG . . . . . 0.51 ' HG3' ' O ' ' A' ' 89' ' ' ALA . 30.6 mtm180 -64.37 -34.16 77.53 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.533 -179.63 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 94' ' ' ILE . . . . . 0.563 HG13 ' O ' ' A' ' 90' ' ' ALA . 11.5 mt -74.46 -26.32 20.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.509 179.076 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.582 HD11 ' NE1' ' B' ' 69' ' ' TRP . 21.9 mm -60.88 -44.87 98.7 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.196 0 CA-C-O 121.756 0.789 . . . . 0.0 109.124 171.613 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 45.3 t30 -65.14 -29.27 70.1 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.168 -0.924 . . . . 0.0 109.849 176.345 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -82.36 2.29 33.03 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.681 -0.691 . . . . 0.0 111.566 178.755 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 98' ' ' ARG . . . . . 0.428 ' HG3' ' HA2' ' B' ' 70' ' ' GLY . 6.4 mmp_? . . . . . 0 N--CA 1.466 0.326 0 CA-C-O 121.387 0.613 . . . . 0.0 109.781 175.837 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 42' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.444 -0.783 0 CA-C-O 119.881 -0.4 . . . . 0.0 112.24 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B ' 43' ' ' PRO . . . . . 0.495 ' HD2' ' SD ' ' B' ' 46' ' ' MET . 39.1 Cg_exo -61.95 174.79 2.19 Favored 'Trans proline' 0 C--N 1.346 0.42 0 C-N-CA 122.841 2.361 . . . . 0.0 111.579 173.558 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 22.3 pt -52.64 -41.47 37.77 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.423 0 N-CA-C 112.669 0.618 . . . . 0.0 112.669 -173.405 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 -56.96 -46.94 81.81 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-O 121.356 0.598 . . . . 0.0 110.595 176.715 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 46' ' ' MET . . . . . 0.556 ' HG2' ' HA ' ' A' ' 57' ' ' THR . 70.7 mtp -69.89 -24.39 63.39 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.364 -0.834 . . . . 0.0 111.253 -178.829 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 47' ' ' VAL . . . . . 0.479 HG23 ' O ' ' B' ' 43' ' ' PRO . 84.6 t -65.63 -48.98 80.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-O 120.63 0.252 . . . . 0.0 110.493 177.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -62.19 -39.66 93.46 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.988 0.423 . . . . 0.0 110.338 177.047 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -67.72 -48.17 67.26 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.893 -0.594 . . . . 0.0 111.688 -178.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 50' ' ' ILE . . . . . 0.445 ' O ' ' HG ' ' B' ' 54' ' ' LEU . 15.0 tt -69.71 -28.71 38.3 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 CA-C-O 120.596 0.236 . . . . 0.0 110.599 -177.578 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 51' ' ' LEU . . . . . 0.628 HD23 ' SD ' ' A' ' 91' ' ' MET . 7.5 tp -68.56 -49.97 55.42 Favored 'General case' 0 N--CA 1.448 -0.541 0 C-N-CA 120.483 -0.487 . . . . 0.0 109.819 179.172 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -57.37 -39.09 75.29 Favored 'General case' 0 CA--C 1.518 -0.267 0 CA-C-O 121.109 0.48 . . . . 0.0 110.193 176.503 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 53' ' ' PHE . . . . . 0.415 ' HB3' ' O ' ' B' ' 50' ' ' ILE . 88.9 t80 -54.91 -58.54 7.21 Favored 'General case' 0 N--CA 1.448 -0.534 0 CA-C-N 115.302 -0.863 . . . . 0.0 109.581 173.048 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 54' ' ' LEU . . . . . 0.445 ' HG ' ' O ' ' B' ' 50' ' ' ILE . 88.7 mt -62.45 -18.21 61.23 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.85 -179.622 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 55' ' ' ARG . . . . . 0.522 ' HG2' ' O ' ' B' ' 51' ' ' LEU . 26.2 mmm180 -77.61 -51.06 11.26 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.921 0.391 . . . . 0.0 111.291 178.366 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 56' ' ' PHE . . . . . 0.545 ' CZ ' ' HA ' ' A' ' 84' ' ' PHE . 54.3 m-85 -95.76 -7.76 36.3 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 112.395 0.517 . . . . 0.0 112.395 -173.888 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 57' ' ' THR . . . . . 0.558 ' HA ' ' HG2' ' A' ' 46' ' ' MET . 31.1 p -107.61 -30.67 8.47 Favored 'General case' 0 C--N 1.323 -0.56 0 C-N-CA 120.031 -0.668 . . . . 0.0 111.366 176.893 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -128.77 -177.15 4.08 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.18 -171.938 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 59' ' ' ILE . . . . . . . . . . . . . 75.6 mt -120.49 118.25 56.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.109 176.948 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 57.2 tptt 68.62 98.44 0.04 OUTLIER Pre-proline 0 C--O 1.234 0.269 0 O-C-N 123.99 0.806 . . . . 0.0 111.193 179.53 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 61' ' ' PRO . . . . . . . . . . . . . 34.9 Cg_exo -61.32 149.45 89.39 Favored 'Trans proline' 0 C--O 1.233 0.25 0 C-N-CA 123.059 2.506 . . . . 0.0 112.269 177.155 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 62' ' ' SER . . . . . 0.469 ' HB2' HD23 ' B' ' 65' ' ' LEU . 3.7 m -65.05 138.95 58.66 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.085 -177.848 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -63.5 -20.97 66.05 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.347 -0.842 . . . . 0.0 112.237 -172.942 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -66.06 -44.67 90.91 Favored Glycine 0 C--O 1.239 0.437 0 C-N-CA 120.681 -0.771 . . . . 0.0 111.543 176.313 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 65' ' ' LEU . . . . . 0.469 HD23 ' HB2' ' B' ' 62' ' ' SER . 3.3 mm? -66.53 -35.48 80.35 Favored 'General case' 0 C--O 1.222 -0.363 0 N-CA-C 109.488 -0.56 . . . . 0.0 109.488 175.571 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 66' ' ' ILE . . . . . 0.474 ' O ' ' HB3' ' B' ' 69' ' ' TRP . 35.7 mm -63.32 -35.2 71.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.691 176.792 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 67' ' ' ASN . . . . . . . . . . . . . 28.0 t-20 -65.46 -43.21 91.03 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.685 178.405 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 68' ' ' ARG . . . . . . . . . . . . . 33.3 ttm180 -82.38 -18.4 42.16 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.391 0.615 . . . . 0.0 110.246 -179.224 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 69' ' ' TRP . . . . . 0.582 ' NE1' HD11 ' A' ' 95' ' ' ILE . 22.7 t90 -55.58 -47.85 75.76 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.089 -0.96 . . . . 0.0 110.464 175.914 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 70' ' ' GLY . . . . . 0.428 ' HA2' ' HG3' ' A' ' 98' ' ' ARG . . . -82.8 8.68 61.9 Favored Glycine 0 N--CA 1.448 -0.557 0 C-N-CA 120.91 -0.662 . . . . 0.0 112.773 178.014 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 71' ' ' SER . . . . . . . . . . . . . 13.8 t -92.4 -11.16 35.63 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 109.518 -0.549 . . . . 0.0 109.518 177.046 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 72' ' ' VAL . . . . . . . . . . . . . 17.6 t -74.8 136.49 25.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 N-CA-C 108.77 -0.826 . . . . 0.0 108.77 174.855 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 73' ' ' GLY . . . . . . . . . . . . . . . -76.97 35.53 1.46 Allowed Glycine 0 CA--C 1.522 0.492 0 N-CA-C 114.705 0.642 . . . . 0.0 114.705 -170.298 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 74' ' ' LYS . . . . . 0.4 ' HA ' HG22 ' A' ' 95' ' ' ILE . 58.0 mttp 62.4 -71.3 0.05 OUTLIER 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 123.762 0.825 . . . . 0.0 112.566 175.411 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 75' ' ' LYS . . . . . . . . . . . . . 21.8 tptm -58.77 -36.66 74.77 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.918 0.39 . . . . 0.0 110.262 178.372 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 76' ' ' GLU . . . . . 0.4 ' O ' HG13 ' B' ' 80' ' ' ILE . 15.8 tp10 -60.9 -43.15 98.91 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.003 -0.544 . . . . 0.0 109.884 176.652 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 77' ' ' ALA . . . . . 0.411 ' O ' HG12 ' B' ' 81' ' ' ILE . . . -62.58 -38.53 90.47 Favored 'General case' 0 C--O 1.224 -0.259 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.435 178.945 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 78' ' ' MET . . . . . . . . . . . . . 65.1 mtt -59.04 -39.55 82.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.123 0.487 . . . . 0.0 110.262 177.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 79' ' ' GLU . . . . . . . . . . . . . 19.8 mm-40 -71.75 -45.64 61.07 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.503 -0.771 . . . . 0.0 111.134 178.664 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 80' ' ' ILE . . . . . 0.4 HG13 ' O ' ' B' ' 76' ' ' GLU . 89.2 mt -60.67 -50.14 81.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.778 178.362 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 81' ' ' ILE . . . . . 0.411 HG12 ' O ' ' B' ' 77' ' ' ALA . 36.2 mm -64.35 -35.34 73.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.282 -178.074 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 82' ' ' LYS . . . . . . . . . . . . . 23.2 tptm -63.17 -44.47 95.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.975 0.417 . . . . 0.0 110.121 177.902 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 83' ' ' LYS . . . . . . . . . . . . . 63.7 tttm -70.77 -32.32 69.42 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.124 178.251 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 84' ' ' PHE . . . . . 0.544 ' HA ' ' CZ ' ' A' ' 56' ' ' PHE . 5.3 t80 -62.34 -53.68 51.57 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.649 -0.705 . . . . 0.0 109.798 177.94 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 85' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -59.03 -36.77 75.55 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.852 177.106 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 86' ' ' LYS . . . . . . . . . . . . . 53.7 tptt -66.75 -40.13 88.18 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.855 -179.234 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 87' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -68.61 -38.41 80.56 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 109.52 -0.548 . . . . 0.0 109.52 178.505 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 88' ' ' LEU . . . . . 0.541 ' HG ' ' O ' ' B' ' 84' ' ' PHE . 92.7 mt -62.01 -37.16 83.84 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.552 175.888 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 89' ' ' ALA . . . . . 0.532 ' O ' ' HG3' ' B' ' 93' ' ' ARG . . . -62.59 -48.66 78.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.78 179.336 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 90' ' ' ALA . . . . . 0.555 ' O ' HG13 ' B' ' 94' ' ' ILE . . . -61.96 -45.61 92.89 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.276 177.573 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 91' ' ' MET . . . . . 0.641 ' SD ' HD23 ' A' ' 51' ' ' LEU . 49.5 ttp -56.1 -44.62 79.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.489 -0.778 . . . . 0.0 110.744 178.004 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 92' ' ' LEU . . . . . . . . . . . . . 67.4 tp -57.64 -41.92 82.38 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.599 -0.728 . . . . 0.0 111.255 179.116 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 93' ' ' ARG . . . . . 0.532 ' HG3' ' O ' ' B' ' 89' ' ' ALA . 30.7 mtm180 -64.35 -34.12 77.42 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.514 -179.645 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 94' ' ' ILE . . . . . 0.555 HG13 ' O ' ' B' ' 90' ' ' ALA . 11.9 mt -74.45 -26.4 20.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.421 179.096 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 95' ' ' ILE . . . . . 0.577 HD11 ' NE1' ' A' ' 69' ' ' TRP . 22.1 mm -60.9 -44.76 98.54 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.151 0 CA-C-O 121.705 0.764 . . . . 0.0 109.107 171.812 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 96' ' ' ASN . . . . . . . . . . . . . 45.6 t30 -65.12 -29.34 70.19 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.167 -0.924 . . . . 0.0 109.82 176.316 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 97' ' ' ALA . . . . . . . . . . . . . . . -82.36 2.39 32.55 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.67 -0.696 . . . . 0.0 111.702 178.791 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 98' ' ' ARG . . . . . 0.417 ' HG2' ' O ' ' B' ' 94' ' ' ILE . 6.4 mmp_? . . . . . 0 N--CA 1.465 0.29 0 CA-C-O 121.534 0.683 . . . . 0.0 109.646 175.745 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.587 0 N-CA-C 111.694 -0.562 . . . . 0.0 111.694 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.454 ' O ' HG23 ' A' ' 47' ' ' VAL . 32.4 Cg_exo -59.77 170.56 3.46 Favored 'Trans proline' 0 C--N 1.344 0.336 0 C-N-CA 123.028 2.485 . . . . 0.0 112.252 177.325 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.604 ' HB ' HG13 ' A' ' 72' ' ' VAL . 35.4 pt -52.63 -43.28 43.2 Favored 'Isoleucine or valine' 0 C--O 1.24 0.604 0 N-CA-C 112.664 0.616 . . . . 0.0 112.664 -172.162 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 88.8 mtt180 -65.1 -40.48 94.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.124 0.488 . . . . 0.0 110.729 178.749 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' MET . . . . . 0.622 ' O ' HG13 ' A' ' 50' ' ' ILE . 1.8 mpt? -69.47 -25.88 64.3 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.855 176.399 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.507 ' HB ' ' O ' ' A' ' 44' ' ' ILE . 74.9 t -56.73 -48.73 80.45 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.152 0 N-CA-C 109.541 -0.54 . . . . 0.0 109.541 174.009 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -62.19 -38.0 87.43 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.969 -0.56 . . . . 0.0 111.086 176.005 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -63.11 -50.99 68.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.465 178.471 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.622 HG13 ' O ' ' A' ' 46' ' ' MET . 44.9 mt -65.75 -32.84 59.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.063 179.866 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 12.8 tp -60.05 -53.93 52.02 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.119 176.111 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.66 -38.96 82.88 Favored 'General case' 0 CA--C 1.518 -0.26 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.847 179.83 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 82.5 t80 -53.18 -64.2 0.9 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.17 175.263 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.542 HD13 ' HA ' ' A' ' 61' ' ' PRO . 74.6 mt -58.03 -40.21 80.32 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.944 -178.195 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 21.5 mmm180 -64.11 -53.61 46.94 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 112.357 0.502 . . . . 0.0 112.357 -178.811 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' PHE . . . . . 0.524 ' CZ ' HG23 ' B' ' 80' ' ' ILE . 5.6 t80 -79.17 -8.11 58.74 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 120.862 0.363 . . . . 0.0 110.892 -173.897 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 57' ' ' THR . . . . . 0.478 ' HA ' ' HG3' ' B' ' 46' ' ' MET . 49.4 p -97.9 -1.86 42.0 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.141 0.496 . . . . 0.0 110.144 173.378 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . 64.91 33.97 9.5 Favored 'General case' 0 N--CA 1.465 0.275 0 CA-C-N 114.906 -1.043 . . . . 0.0 111.896 179.29 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 65.7 mt -101.57 145.3 11.81 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.684 0 N-CA-C 108.758 -0.83 . . . . 0.0 108.758 174.414 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 60.5 tttp -63.99 119.83 58.62 Favored Pre-proline 0 C--N 1.328 -0.33 0 N-CA-C 110.447 -0.205 . . . . 0.0 110.447 178.153 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' PRO . . . . . 0.542 ' HA ' HD13 ' A' ' 54' ' ' LEU . 31.7 Cg_exo -59.23 115.21 2.41 Favored 'Trans proline' 0 N--CA 1.46 -0.497 0 C-N-CA 122.463 2.109 . . . . 0.0 111.265 175.748 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 62' ' ' SER . . . . . 0.413 ' HB2' HD23 ' A' ' 65' ' ' LEU . 8.6 m -57.03 147.61 23.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.853 -179.376 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 98.3 mt -61.89 -23.45 66.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.269 -0.878 . . . . 0.0 112.081 -173.743 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -62.5 -43.85 98.43 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.5 -0.857 . . . . 0.0 111.538 174.503 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.537 ' O ' ' HB2' ' A' ' 69' ' ' TRP . 3.5 mm? -66.71 -43.88 83.13 Favored 'General case' 0 C--O 1.221 -0.406 0 N-CA-C 109.94 -0.393 . . . . 0.0 109.94 177.775 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.463 HD11 ' HB2' ' A' ' 61' ' ' PRO . 40.9 mm -66.48 -34.8 72.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.399 -177.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 65.4 t30 -70.5 -42.87 70.76 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.785 -179.158 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 67.7 ttt180 -86.74 -12.88 46.91 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.217 0.532 . . . . 0.0 110.171 -177.473 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' TRP . . . . . 0.537 ' HB2' ' O ' ' A' ' 65' ' ' LEU . 16.0 t90 -51.31 -53.26 37.62 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.005 -0.998 . . . . 0.0 110.897 178.526 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -86.75 20.57 23.28 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.547 -0.835 . . . . 0.0 112.17 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 23.1 t -123.34 10.06 9.2 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.365 0.602 . . . . 0.0 109.718 178.547 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.604 HG13 ' HB ' ' A' ' 44' ' ' ILE . 78.8 t -81.31 -16.84 12.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-O 122.502 1.144 . . . . 0.0 110.635 179.525 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 80.79 119.82 0.43 Allowed Glycine 0 C--N 1.304 -1.211 0 CA-C-N 113.628 -1.623 . . . . 0.0 110.114 -169.647 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.505 ' O ' ' HG3' ' A' ' 78' ' ' MET . 9.6 ptpp? -63.98 -22.14 66.8 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 117.356 0.578 . . . . 0.0 109.915 -176.782 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 52.8 tptt -63.96 -54.28 36.99 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.432 -0.804 . . . . 0.0 110.174 173.802 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 20.2 tp10 -67.21 -35.99 80.77 Favored 'General case' 0 N--CA 1.451 -0.383 0 CA-C-N 115.565 -0.743 . . . . 0.0 109.954 179.296 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.611 ' O ' HG12 ' A' ' 81' ' ' ILE . . . -57.32 -43.53 83.38 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.585 -0.28 . . . . 0.0 110.706 177.724 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 78' ' ' MET . . . . . 0.622 ' O ' ' HG2' ' A' ' 82' ' ' LYS . 68.6 mtt -59.52 -48.69 80.66 Favored 'General case' 0 CA--C 1.52 -0.191 0 N-CA-C 109.885 -0.413 . . . . 0.0 109.885 176.115 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 51.4 mm-40 -57.87 -42.12 83.89 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.579 -0.737 . . . . 0.0 111.144 178.678 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.537 HG23 ' CZ ' ' B' ' 56' ' ' PHE . 93.0 mt -60.57 -56.04 20.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-N 115.555 -0.748 . . . . 0.0 110.958 176.758 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.611 HG12 ' O ' ' A' ' 77' ' ' ALA . 48.4 mm -56.4 -41.83 72.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.205 -176.583 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 82' ' ' LYS . . . . . 0.622 ' HG2' ' O ' ' A' ' 78' ' ' MET . 34.3 mmtp -60.0 -54.03 50.8 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.481 -0.327 . . . . 0.0 110.995 179.367 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 57.9 mttp -71.69 -24.98 61.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.896 -176.628 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 84' ' ' PHE . . . . . 0.427 ' O ' ' HG ' ' A' ' 88' ' ' LEU . 1.7 t80 -64.91 -48.7 73.2 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 109.04 -0.726 . . . . 0.0 109.04 175.349 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 85' ' ' LYS . . . . . 0.466 ' HG3' ' O ' ' A' ' 81' ' ' ILE . 97.9 mttt -61.72 -34.94 76.68 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.473 -0.785 . . . . 0.0 111.035 178.676 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 86' ' ' LYS . . . . . 0.598 ' HG2' ' O ' ' A' ' 82' ' ' LYS . 32.0 mmmt -64.87 -43.52 92.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.295 -0.412 . . . . 0.0 111.046 -179.762 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -70.12 -36.11 74.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.297 -0.41 . . . . 0.0 109.962 -179.305 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.434 ' HB3' HD12 ' B' ' 81' ' ' ILE . 90.2 mt -61.95 -47.96 82.53 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.517 177.005 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -63.22 -36.21 82.9 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.78 -0.645 . . . . 0.0 110.957 -179.871 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 90' ' ' ALA . . . . . 0.558 ' O ' HG13 ' A' ' 94' ' ' ILE . . . -64.29 -49.66 70.94 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.527 177.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 91' ' ' MET . . . . . 0.582 ' O ' HG12 ' A' ' 95' ' ' ILE . 23.3 mmt -61.55 -36.91 81.95 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.926 -179.933 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.432 ' HB2' HG13 ' B' ' 81' ' ' ILE . 68.5 tp -56.19 -49.57 73.68 Favored 'General case' 0 C--O 1.239 0.539 0 CA-C-O 121.33 0.586 . . . . 0.0 110.854 176.389 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 72.7 ttt180 -61.6 -34.61 75.93 Favored 'General case' 0 N--CA 1.442 -0.86 0 CA-C-N 115.561 -0.745 . . . . 0.0 110.549 -179.762 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 94' ' ' ILE . . . . . 0.558 HG13 ' O ' ' A' ' 90' ' ' ALA . 36.9 mt -72.32 -31.32 38.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.451 -0.34 . . . . 0.0 110.709 179.057 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.582 HG12 ' O ' ' A' ' 91' ' ' MET . 23.1 mm -55.13 -47.85 76.83 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.227 0 N-CA-C 109.37 -0.604 . . . . 0.0 109.37 173.736 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 41.3 t30 -69.08 -41.25 77.79 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.474 -0.784 . . . . 0.0 110.566 176.818 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 97' ' ' ALA . . . . . 0.448 ' HB3' ' HA ' ' A' ' 94' ' ' ILE . . . -62.75 -17.5 61.03 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 112.548 0.573 . . . . 0.0 112.548 -174.3 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 98' ' ' ARG . . . . . 0.546 ' HG3' ' O ' ' A' ' 94' ' ' ILE . 19.6 mtp180 . . . . . 0 C--N 1.33 -0.279 0 CA-C-O 120.967 0.413 . . . . 0.0 110.797 177.27 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 42' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.528 0 N-CA-C 111.712 -0.555 . . . . 0.0 111.712 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' B' B ' 43' ' ' PRO . . . . . 0.455 ' O ' HG23 ' B' ' 47' ' ' VAL . 33.2 Cg_exo -59.15 170.62 2.8 Favored 'Trans proline' 0 C--N 1.343 0.259 0 C-N-CA 123.056 2.504 . . . . 0.0 112.331 177.597 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 44' ' ' ILE . . . . . 0.59 ' HB ' HG13 ' B' ' 72' ' ' VAL . 35.6 pt -52.74 -43.19 44.12 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.598 0 N-CA-C 112.54 0.57 . . . . 0.0 112.54 -171.944 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 89.1 mtt180 -65.28 -40.27 93.65 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.107 0.48 . . . . 0.0 110.721 178.902 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 46' ' ' MET . . . . . 0.607 ' O ' HG13 ' B' ' 50' ' ' ILE . 1.8 mpt? -69.77 -25.76 63.96 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.731 176.358 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 47' ' ' VAL . . . . . 0.508 ' HB ' ' O ' ' B' ' 44' ' ' ILE . 74.5 t -56.74 -48.69 80.51 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.178 0 N-CA-C 109.59 -0.522 . . . . 0.0 109.59 173.953 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -62.15 -38.02 87.43 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.091 175.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -63.1 -51.01 68.26 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.884 0.373 . . . . 0.0 111.437 178.53 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 50' ' ' ILE . . . . . 0.607 HG13 ' O ' ' B' ' 46' ' ' MET . 45.3 mt -65.75 -32.76 59.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.021 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 12.8 tp -60.19 -53.86 52.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.747 -0.66 . . . . 0.0 110.061 176.199 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.62 -38.95 82.71 Favored 'General case' 0 CA--C 1.517 -0.294 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.846 179.809 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 53' ' ' PHE . . . . . . . . . . . . . 82.6 t80 -53.28 -64.28 0.87 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.161 175.326 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 54' ' ' LEU . . . . . 0.549 HD13 ' HA ' ' B' ' 61' ' ' PRO . 74.9 mt -57.82 -40.35 79.8 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.888 -178.262 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 55' ' ' ARG . . . . . . . . . . . . . 21.5 mmm180 -64.21 -52.91 56.53 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 112.496 0.554 . . . . 0.0 112.496 -178.648 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 56' ' ' PHE . . . . . 0.537 ' CZ ' HG23 ' A' ' 80' ' ' ILE . 5.6 t80 -80.03 -7.54 58.89 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 120.913 0.387 . . . . 0.0 110.854 -174.074 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 57' ' ' THR . . . . . 0.487 ' HA ' ' HG3' ' A' ' 46' ' ' MET . 49.9 p -98.43 -1.2 41.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.056 0.455 . . . . 0.0 110.112 173.14 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . 64.1 34.33 11.25 Favored 'General case' 0 C--O 1.233 0.189 0 CA-C-N 115.019 -0.991 . . . . 0.0 111.942 179.337 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 59' ' ' ILE . . . . . . . . . . . . . 66.1 mt -102.08 144.79 12.86 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.674 0 N-CA-C 108.877 -0.786 . . . . 0.0 108.877 174.396 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 60.9 tttp -63.45 119.79 56.59 Favored Pre-proline 0 C--N 1.329 -0.313 0 N-CA-C 110.423 -0.214 . . . . 0.0 110.423 178.457 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 61' ' ' PRO . . . . . 0.549 ' HA ' HD13 ' B' ' 54' ' ' LEU . 32.2 Cg_exo -59.27 115.4 2.55 Favored 'Trans proline' 0 N--CA 1.46 -0.457 0 C-N-CA 122.366 2.044 . . . . 0.0 111.331 175.853 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 62' ' ' SER . . . . . 0.414 ' HB2' HD23 ' B' ' 65' ' ' LEU . 9.7 m -57.22 147.45 25.17 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.321 0.581 . . . . 0.0 110.886 -179.275 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 97.5 mt -61.82 -23.45 66.25 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.179 -0.919 . . . . 0.0 112.039 -173.625 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -62.77 -43.66 98.61 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.55 -0.834 . . . . 0.0 111.519 174.487 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 65' ' ' LEU . . . . . 0.523 ' O ' ' HB2' ' B' ' 69' ' ' TRP . 3.5 mm? -66.59 -44.14 82.99 Favored 'General case' 0 C--O 1.22 -0.47 0 N-CA-C 109.932 -0.395 . . . . 0.0 109.932 177.457 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 66' ' ' ILE . . . . . 0.479 HD11 ' HB2' ' B' ' 61' ' ' PRO . 41.3 mm -66.2 -34.75 72.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.393 -177.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 67' ' ' ASN . . . . . . . . . . . . . 65.4 t30 -70.58 -42.94 70.4 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.685 -178.938 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 68' ' ' ARG . . . . . . . . . . . . . 67.9 ttt180 -86.81 -12.73 47.14 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.248 0.547 . . . . 0.0 110.138 -177.399 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 69' ' ' TRP . . . . . 0.523 ' HB2' ' O ' ' B' ' 65' ' ' LEU . 15.9 t90 -51.41 -53.1 40.12 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.009 -0.996 . . . . 0.0 110.955 178.499 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . -86.59 20.19 24.58 Favored Glycine 0 N--CA 1.45 -0.432 0 C-N-CA 120.529 -0.843 . . . . 0.0 112.187 -179.877 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 71' ' ' SER . . . . . . . . . . . . . 18.1 t -123.1 9.72 9.32 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.349 0.595 . . . . 0.0 109.642 178.683 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 72' ' ' VAL . . . . . 0.59 HG13 ' HB ' ' B' ' 44' ' ' ILE . 79.3 t -80.51 -17.23 12.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 122.348 1.071 . . . . 0.0 110.592 179.552 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 73' ' ' GLY . . . . . . . . . . . . . . . 81.23 120.05 0.48 Allowed Glycine 0 C--N 1.304 -1.217 0 CA-C-N 113.648 -1.614 . . . . 0.0 110.091 -169.575 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 74' ' ' LYS . . . . . 0.504 ' O ' ' HG3' ' B' ' 78' ' ' MET . 9.6 ptpp? -64.4 -21.79 66.75 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 117.427 0.614 . . . . 0.0 109.946 -176.631 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 75' ' ' LYS . . . . . . . . . . . . . 52.7 tptt -64.36 -54.44 32.96 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.423 -0.808 . . . . 0.0 110.031 173.724 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 20.8 tp10 -66.85 -35.94 81.19 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.083 179.271 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 77' ' ' ALA . . . . . 0.621 ' O ' HG12 ' B' ' 81' ' ' ILE . . . -57.45 -43.68 84.16 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.674 177.818 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 78' ' ' MET . . . . . 0.609 ' O ' ' HG2' ' B' ' 82' ' ' LYS . 68.5 mtt -59.15 -49.1 79.14 Favored 'General case' 0 CA--C 1.52 -0.199 0 N-CA-C 109.782 -0.451 . . . . 0.0 109.782 176.137 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 79' ' ' GLU . . . . . . . . . . . . . 45.8 mm-40 -57.71 -42.04 82.96 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.514 -0.767 . . . . 0.0 111.255 178.737 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 80' ' ' ILE . . . . . 0.524 HG23 ' CZ ' ' A' ' 56' ' ' PHE . 93.2 mt -60.5 -56.23 19.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-N 115.582 -0.735 . . . . 0.0 110.935 176.613 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 81' ' ' ILE . . . . . 0.621 HG12 ' O ' ' B' ' 77' ' ' ALA . 48.4 mm -56.17 -41.95 71.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.172 -176.625 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 82' ' ' LYS . . . . . 0.609 ' HG2' ' O ' ' B' ' 78' ' ' MET . 34.3 mmtp -59.96 -53.9 52.37 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.112 179.427 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 83' ' ' LYS . . . . . . . . . . . . . 57.9 mttp -71.79 -24.95 61.83 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.915 -176.891 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 84' ' ' PHE . . . . . 0.429 ' O ' ' HG ' ' B' ' 88' ' ' LEU . 1.7 t80 -64.9 -48.64 73.47 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 109.093 -0.706 . . . . 0.0 109.093 175.413 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 85' ' ' LYS . . . . . 0.457 ' HG3' ' O ' ' B' ' 81' ' ' ILE . 97.7 mttt -61.81 -35.07 77.14 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.372 -0.831 . . . . 0.0 111.108 178.722 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 86' ' ' LYS . . . . . 0.602 ' HG2' ' O ' ' B' ' 82' ' ' LYS . 32.0 mmmt -64.36 -44.19 92.17 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.917 179.915 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 87' ' ' ASP . . . . . 0.4 ' O ' ' HG2' ' B' ' 91' ' ' MET . 14.3 t70 -69.82 -36.03 75.28 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.035 0.445 . . . . 0.0 110.001 -178.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 88' ' ' LEU . . . . . 0.445 ' HB3' HD12 ' A' ' 81' ' ' ILE . 89.9 mt -61.86 -47.92 82.85 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.563 176.892 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -63.55 -35.9 82.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.897 -179.816 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 90' ' ' ALA . . . . . 0.537 ' O ' HG13 ' B' ' 94' ' ' ILE . . . -64.31 -49.73 70.6 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.396 177.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 91' ' ' MET . . . . . 0.579 ' O ' HG12 ' B' ' 95' ' ' ILE . 23.3 mmt -61.56 -36.73 81.45 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.03 -179.894 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 92' ' ' LEU . . . . . 0.439 ' HB2' HG13 ' A' ' 81' ' ' ILE . 68.6 tp -56.4 -49.52 74.27 Favored 'General case' 0 C--O 1.24 0.56 0 CA-C-O 121.348 0.594 . . . . 0.0 110.833 176.379 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 93' ' ' ARG . . . . . . . . . . . . . 72.8 ttt180 -61.48 -34.8 76.08 Favored 'General case' 0 N--CA 1.442 -0.848 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.484 -179.88 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 94' ' ' ILE . . . . . 0.548 ' O ' ' HG3' ' B' ' 98' ' ' ARG . 36.3 mt -72.17 -31.37 39.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.46 -0.336 . . . . 0.0 110.714 179.111 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 95' ' ' ILE . . . . . 0.579 HG12 ' O ' ' B' ' 91' ' ' MET . 23.2 mm -55.15 -47.75 77.0 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.282 0 N-CA-C 109.401 -0.592 . . . . 0.0 109.401 173.73 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 96' ' ' ASN . . . . . . . . . . . . . 41.5 t30 -69.22 -41.2 77.34 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.544 -0.753 . . . . 0.0 110.567 176.882 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 97' ' ' ALA . . . . . 0.44 ' HB3' ' HA ' ' B' ' 94' ' ' ILE . . . -62.56 -17.99 61.13 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 112.604 0.594 . . . . 0.0 112.604 -174.405 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 98' ' ' ARG . . . . . 0.548 ' HG3' ' O ' ' B' ' 94' ' ' ILE . 19.7 mtp180 . . . . . 0 C--N 1.33 -0.253 0 CA-C-O 120.906 0.384 . . . . 0.0 110.834 177.313 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' GLY . . . . . 0.439 ' HA2' ' HD3' ' A' ' 43' ' ' PRO . . . . . . . . 0 N--CA 1.442 -0.908 0 N-CA-C 111.85 -0.5 . . . . 0.0 111.85 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.51 ' O ' HG23 ' A' ' 47' ' ' VAL . 23.5 Cg_exo -64.65 176.59 2.75 Favored 'Trans proline' 0 C--N 1.343 0.254 0 C-N-CA 122.811 2.341 . . . . 0.0 112.112 176.28 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 22.0 pt -51.14 -39.26 19.99 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.395 0 N-CA-C 112.627 0.603 . . . . 0.0 112.627 -173.823 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 97.7 mtt180 -61.54 -45.58 93.56 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.284 0.564 . . . . 0.0 110.634 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' MET . . . . . 0.587 ' HG2' ' HA ' ' B' ' 57' ' ' THR . 72.5 mtp -70.48 -28.04 64.68 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.63 -0.714 . . . . 0.0 111.154 -179.631 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.51 HG23 ' O ' ' A' ' 43' ' ' PRO . 83.3 t -61.86 -48.18 89.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 120.777 0.323 . . . . 0.0 110.419 177.251 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 87.4 mt -64.52 -37.9 89.14 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.622 178.338 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -66.15 -48.99 68.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.563 179.16 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.404 ' O ' ' HB3' ' A' ' 53' ' ' PHE . 15.9 tt -71.36 -26.83 27.37 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-O 120.733 0.301 . . . . 0.0 110.667 -177.953 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.661 ' O ' ' HG2' ' A' ' 55' ' ' ARG . 11.7 tp -65.33 -54.3 30.94 Favored 'General case' 0 N--CA 1.451 -0.415 0 N-CA-C 109.7 -0.481 . . . . 0.0 109.7 177.097 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -56.93 -40.12 75.76 Favored 'General case' 0 CA--C 1.516 -0.33 0 O-C-N 123.35 0.407 . . . . 0.0 110.303 178.345 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.434 ' CE1' HG21 ' A' ' 57' ' ' THR . 71.1 t80 -51.13 -60.82 2.69 Favored 'General case' 0 N--CA 1.451 -0.399 0 CA-C-N 115.406 -0.815 . . . . 0.0 109.871 173.136 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 96.1 mt -63.08 -23.32 67.39 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.304 -0.407 . . . . 0.0 112.087 -178.466 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.661 ' HG2' ' O ' ' A' ' 51' ' ' LEU . 15.9 mmm180 -72.22 -43.78 63.92 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-O 120.773 0.321 . . . . 0.0 111.073 178.58 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 56' ' ' PHE . . . . . 0.517 ' CZ ' ' HA ' ' B' ' 84' ' ' PHE . 57.9 m-85 -96.56 -14.99 21.85 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 112.172 0.434 . . . . 0.0 112.172 -175.213 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 57' ' ' THR . . . . . 0.57 ' HA ' ' HG2' ' B' ' 46' ' ' MET . 73.2 p -100.8 -23.96 14.49 Favored 'General case' 0 C--N 1.325 -0.488 0 C-N-CA 120.284 -0.566 . . . . 0.0 111.602 178.753 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -131.5 -164.7 1.48 Allowed 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.691 -175.92 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 50.0 mm -93.38 -67.64 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-O 121.589 0.709 . . . . 0.0 110.701 179.568 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' LYS . . . . . 0.422 ' HA ' ' HD3' ' A' ' 61' ' ' PRO . 88.6 tttt -131.33 127.01 21.61 Favored Pre-proline 0 C--N 1.301 -1.541 0 CA-C-N 114.523 -1.217 . . . . 0.0 110.936 -178.438 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 61' ' ' PRO . . . . . 0.422 ' HD3' ' HA ' ' A' ' 60' ' ' LYS . 28.6 Cg_exo -63.32 151.36 85.25 Favored 'Trans proline' 0 C--N 1.344 0.304 0 C-N-CA 123.093 2.528 . . . . 0.0 112.324 176.113 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 14.7 m -65.79 147.56 53.18 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.663 -0.699 . . . . 0.0 111.123 179.909 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 88.8 mt -63.53 -19.96 65.22 Favored 'General case' 0 C--N 1.334 -0.105 0 CA-C-N 115.268 -0.878 . . . . 0.0 112.066 -173.851 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -62.96 -46.18 94.1 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.895 -0.669 . . . . 0.0 111.503 174.808 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -67.62 -38.49 83.99 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 109.636 -0.505 . . . . 0.0 109.636 177.206 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 47.2 mm -61.91 -35.15 66.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.89 178.191 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 27.5 t-20 -69.42 -41.44 76.34 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.901 179.028 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 27.9 ttm180 -79.56 -18.53 51.54 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.349 0.595 . . . . 0.0 110.084 -178.776 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' TRP . . . . . 0.572 ' NE1' HD11 ' B' ' 95' ' ' ILE . 16.9 t90 -58.61 -47.73 83.37 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 114.918 -1.037 . . . . 0.0 110.997 179.328 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -78.21 0.49 73.86 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.814 -0.708 . . . . 0.0 112.681 -179.807 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 19.4 m -92.02 -3.98 55.1 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.09 0.471 . . . . 0.0 110.512 179.701 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 45.6 t -77.64 140.58 16.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-N 115.89 -0.595 . . . . 0.0 109.996 178.004 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -64.71 135.8 38.46 Favored Glycine 0 N--CA 1.439 -1.106 0 N-CA-C 110.512 -1.035 . . . . 0.0 110.512 174.467 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.465 ' O ' ' HG3' ' A' ' 78' ' ' MET . 30.5 mmtm -68.04 -33.36 74.43 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-O 121.162 0.506 . . . . 0.0 109.721 -173.032 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 20.7 tptm -69.21 -47.43 64.83 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.363 -0.835 . . . . 0.0 110.023 174.95 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 76' ' ' GLU . . . . . 0.43 ' O ' HG13 ' A' ' 80' ' ' ILE . 5.1 tp10 -59.72 -43.83 93.98 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.358 -0.837 . . . . 0.0 109.936 -179.471 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.401 ' O ' HG12 ' A' ' 81' ' ' ILE . . . -58.36 -42.53 87.12 Favored 'General case' 0 N--CA 1.453 -0.292 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.908 179.038 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 78' ' ' MET . . . . . 0.465 ' HG3' ' O ' ' A' ' 74' ' ' LYS . 61.1 mtt -58.16 -43.96 87.7 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-O 120.932 0.396 . . . . 0.0 110.646 179.43 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.448 ' O ' ' HG3' ' A' ' 83' ' ' LYS . 36.5 mt-10 -72.39 -40.42 67.24 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.773 -0.649 . . . . 0.0 111.209 -178.788 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.43 HG13 ' O ' ' A' ' 76' ' ' GLU . 96.4 mt -62.04 -47.98 90.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.683 0.278 . . . . 0.0 110.598 178.39 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.401 HG12 ' O ' ' A' ' 77' ' ' ALA . 39.1 mm -61.02 -37.05 76.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.716 178.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 82' ' ' LYS . . . . . 0.407 ' HB2' ' NZ ' ' A' ' 82' ' ' LYS . 0.0 OUTLIER -62.08 -46.97 86.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.337 176.766 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 83' ' ' LYS . . . . . 0.448 ' HG3' ' O ' ' A' ' 79' ' ' GLU . 90.9 mttt -67.2 -35.95 80.7 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.538 179.54 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 84' ' ' PHE . . . . . 0.529 ' HA ' ' CZ ' ' B' ' 56' ' ' PHE . 2.2 t80 -62.41 -49.72 74.37 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.066 179.629 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -63.14 -31.59 72.77 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.735 178.489 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 16.8 tppt? -65.21 -47.3 77.35 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.409 179.147 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -68.4 -32.26 72.2 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.771 -179.605 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.462 ' HG ' ' O ' ' A' ' 84' ' ' PHE . 91.8 mt -66.03 -38.66 88.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.476 175.6 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 89' ' ' ALA . . . . . 0.447 ' O ' ' HG3' ' A' ' 93' ' ' ARG . . . -62.18 -47.97 82.13 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.321 177.783 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 90' ' ' ALA . . . . . 0.613 ' O ' HG13 ' A' ' 94' ' ' ILE . . . -60.45 -48.35 82.15 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.159 176.656 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 91' ' ' MET . . . . . 0.449 ' O ' HG12 ' A' ' 95' ' ' ILE . 39.4 ttm -51.9 -49.23 63.44 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.414 -0.812 . . . . 0.0 111.013 178.613 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 48.8 tp -56.74 -46.17 81.53 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.546 -0.752 . . . . 0.0 111.545 -179.236 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 93' ' ' ARG . . . . . 0.447 ' HG3' ' O ' ' A' ' 89' ' ' ALA . 27.0 mtm180 -64.95 -33.9 77.14 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.328 -0.397 . . . . 0.0 110.788 -177.829 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 94' ' ' ILE . . . . . 0.613 HG13 ' O ' ' A' ' 90' ' ' ALA . 25.9 mt -73.05 -31.2 34.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.599 -0.273 . . . . 0.0 110.556 179.462 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.57 HD11 ' NE1' ' B' ' 69' ' ' TRP . 24.4 mm -55.99 -50.14 71.24 Favored 'Isoleucine or valine' 0 C--O 1.232 0.151 0 CA-C-O 121.6 0.714 . . . . 0.0 109.164 171.821 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 43.4 m-80 -67.46 -21.6 65.53 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.026 -0.988 . . . . 0.0 110.741 178.722 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -82.58 10.79 6.67 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 120.913 0.387 . . . . 0.0 110.662 178.036 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 98' ' ' ARG . . . . . 0.483 ' HA ' ' NE ' ' A' ' 98' ' ' ARG . 4.0 mmp_? . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.685 178.164 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 42' ' ' GLY . . . . . 0.4 ' HA2' ' HD3' ' B' ' 43' ' ' PRO . . . . . . . . 0 N--CA 1.44 -1.036 0 N-CA-C 111.844 -0.502 . . . . 0.0 111.844 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 43' ' ' PRO . . . . . 0.495 ' O ' HG23 ' B' ' 47' ' ' VAL . 23.5 Cg_exo -64.94 176.68 2.85 Favored 'Trans proline' 0 C--N 1.342 0.235 0 C-N-CA 122.759 2.306 . . . . 0.0 112.072 176.036 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 21.9 pt -51.05 -39.28 19.46 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.382 0 N-CA-C 112.695 0.628 . . . . 0.0 112.695 -173.944 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 97.7 mtt180 -61.73 -45.61 93.22 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.189 0.519 . . . . 0.0 110.566 -179.892 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 46' ' ' MET . . . . . 0.57 ' HG2' ' HA ' ' A' ' 57' ' ' THR . 72.5 mtp -70.33 -28.0 64.81 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.626 -0.716 . . . . 0.0 111.225 -179.773 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 47' ' ' VAL . . . . . 0.495 HG23 ' O ' ' B' ' 43' ' ' PRO . 83.4 t -61.84 -48.19 89.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 120.852 0.358 . . . . 0.0 110.466 177.221 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 86.5 mt -64.54 -37.8 88.8 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.586 178.378 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -66.24 -48.93 68.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.544 179.178 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 50' ' ' ILE . . . . . 0.403 ' O ' ' HB3' ' B' ' 53' ' ' PHE . 15.8 tt -71.43 -26.82 27.19 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 CA-C-O 120.704 0.287 . . . . 0.0 110.668 -178.003 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 51' ' ' LEU . . . . . 0.669 ' O ' ' HG2' ' B' ' 55' ' ' ARG . 11.6 tp -65.39 -54.2 32.15 Favored 'General case' 0 N--CA 1.45 -0.454 0 N-CA-C 109.744 -0.465 . . . . 0.0 109.744 177.077 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -56.96 -40.1 75.82 Favored 'General case' 0 CA--C 1.517 -0.307 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.327 178.384 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 53' ' ' PHE . . . . . 0.437 ' CE1' HG21 ' B' ' 57' ' ' THR . 71.1 t80 -51.19 -60.79 2.73 Favored 'General case' 0 N--CA 1.451 -0.397 0 CA-C-N 115.318 -0.856 . . . . 0.0 109.889 173.161 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 54' ' ' LEU . . . . . . . . . . . . . 96.3 mt -63.07 -23.35 67.41 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 112.088 0.403 . . . . 0.0 112.088 -178.505 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 55' ' ' ARG . . . . . 0.669 ' HG2' ' O ' ' B' ' 51' ' ' LEU . 15.8 mmm180 -72.07 -43.99 64.0 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.845 0.355 . . . . 0.0 111.093 178.613 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 56' ' ' PHE . . . . . 0.529 ' CZ ' ' HA ' ' A' ' 84' ' ' PHE . 58.1 m-85 -96.54 -14.81 22.01 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 112.203 0.446 . . . . 0.0 112.203 -175.198 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 57' ' ' THR . . . . . 0.587 ' HA ' ' HG2' ' A' ' 46' ' ' MET . 73.2 p -101.0 -23.65 14.48 Favored 'General case' 0 C--N 1.326 -0.451 0 C-N-CA 120.3 -0.56 . . . . 0.0 111.662 178.6 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -131.69 -164.68 1.48 Allowed 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.729 -176.041 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 59' ' ' ILE . . . . . . . . . . . . . 49.8 mm -93.31 -67.62 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 CA-C-O 121.656 0.741 . . . . 0.0 110.661 179.42 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 60' ' ' LYS . . . . . 0.434 ' HA ' ' HD3' ' B' ' 61' ' ' PRO . 88.5 tttt -131.48 127.18 21.52 Favored Pre-proline 0 C--N 1.3 -1.559 0 CA-C-N 114.54 -1.209 . . . . 0.0 110.999 -178.316 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 61' ' ' PRO . . . . . 0.434 ' HD3' ' HA ' ' B' ' 60' ' ' LYS . 29.3 Cg_exo -63.28 151.36 85.23 Favored 'Trans proline' 0 C--O 1.235 0.359 0 C-N-CA 123.064 2.509 . . . . 0.0 112.394 176.315 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 14.1 m -65.59 147.68 53.01 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.753 -0.658 . . . . 0.0 111.062 179.758 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 89.3 mt -63.91 -19.39 65.06 Favored 'General case' 0 C--N 1.333 -0.118 0 CA-C-N 115.31 -0.859 . . . . 0.0 111.96 -173.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -63.51 -45.8 93.92 Favored Glycine 0 N--CA 1.45 -0.415 0 C-N-CA 120.709 -0.758 . . . . 0.0 111.534 174.739 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -67.69 -38.71 84.06 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 109.611 -0.514 . . . . 0.0 109.611 177.156 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 66' ' ' ILE . . . . . . . . . . . . . 47.2 mm -61.71 -35.29 66.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.882 178.205 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 67' ' ' ASN . . . . . . . . . . . . . 27.4 t-20 -69.11 -42.26 76.32 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.707 179.084 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 68' ' ' ARG . . . . . . . . . . . . . 27.8 ttm180 -79.04 -18.46 53.48 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.387 0.613 . . . . 0.0 110.086 -178.543 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 69' ' ' TRP . . . . . 0.57 ' NE1' HD11 ' A' ' 95' ' ' ILE . 16.9 t90 -58.63 -47.77 83.27 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.001 -1.0 . . . . 0.0 111.019 179.259 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . -77.77 -0.2 73.67 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.695 -179.76 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 71' ' ' SER . . . . . . . . . . . . . 21.0 m -91.53 -4.28 55.6 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.115 0.483 . . . . 0.0 110.622 -179.901 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 72' ' ' VAL . . . . . . . . . . . . . 44.9 t -77.42 140.21 17.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.055 177.929 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 73' ' ' GLY . . . . . . . . . . . . . . . -64.42 135.9 39.34 Favored Glycine 0 N--CA 1.44 -1.097 0 N-CA-C 110.411 -1.076 . . . . 0.0 110.411 174.563 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 74' ' ' LYS . . . . . 0.475 ' O ' ' HG3' ' B' ' 78' ' ' MET . 30.7 mmtm -68.37 -33.2 73.84 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-O 121.136 0.493 . . . . 0.0 109.712 -172.896 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 75' ' ' LYS . . . . . . . . . . . . . 20.8 tptm -69.17 -47.7 64.24 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.448 -0.796 . . . . 0.0 110.056 174.715 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 76' ' ' GLU . . . . . 0.427 ' O ' HG13 ' B' ' 80' ' ' ILE . 5.2 tp10 -59.43 -43.79 93.02 Favored 'General case' 0 N--CA 1.451 -0.38 0 CA-C-N 115.448 -0.796 . . . . 0.0 109.987 -179.442 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 77' ' ' ALA . . . . . . . . . . . . . . . -58.41 -42.63 87.61 Favored 'General case' 0 N--CA 1.454 -0.269 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.88 179.098 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 78' ' ' MET . . . . . 0.475 ' HG3' ' O ' ' B' ' 74' ' ' LYS . 61.2 mtt -57.96 -43.75 86.64 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.722 179.358 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 79' ' ' GLU . . . . . 0.443 ' O ' ' HG3' ' B' ' 83' ' ' LYS . 37.0 mt-10 -72.86 -40.07 65.98 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.79 -0.641 . . . . 0.0 111.123 -178.637 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 80' ' ' ILE . . . . . 0.427 HG13 ' O ' ' B' ' 76' ' ' GLU . 96.6 mt -62.2 -47.89 90.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.674 0.273 . . . . 0.0 110.62 178.293 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 81' ' ' ILE . . . . . . . . . . . . . 39.1 mm -61.14 -37.11 76.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.735 179.025 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 82' ' ' LYS . . . . . 0.413 ' HB2' ' NZ ' ' B' ' 82' ' ' LYS . 0.0 OUTLIER -62.1 -46.93 86.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.35 176.726 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 83' ' ' LYS . . . . . 0.443 ' HG3' ' O ' ' B' ' 79' ' ' GLU . 90.8 mttt -67.1 -36.09 81.2 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.53 179.427 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 84' ' ' PHE . . . . . 0.517 ' HA ' ' CZ ' ' A' ' 56' ' ' PHE . 2.2 t80 -62.28 -49.83 74.09 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.046 179.725 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 85' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -62.98 -31.44 72.56 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.74 178.479 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 86' ' ' LYS . . . . . . . . . . . . . 16.8 tppt? -65.63 -46.75 78.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.449 179.47 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 87' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -68.73 -32.29 71.96 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.727 -179.678 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 88' ' ' LEU . . . . . 0.459 ' HG ' ' O ' ' B' ' 84' ' ' PHE . 92.0 mt -66.12 -38.68 88.76 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.46 175.677 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 89' ' ' ALA . . . . . 0.455 ' O ' ' HG3' ' B' ' 93' ' ' ARG . . . -62.13 -47.71 83.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.359 177.649 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 90' ' ' ALA . . . . . 0.618 ' O ' HG13 ' B' ' 94' ' ' ILE . . . -60.73 -48.1 83.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.176 176.749 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 91' ' ' MET . . . . . 0.451 ' O ' HG12 ' B' ' 95' ' ' ILE . 40.0 ttm -52.19 -49.22 64.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.404 -0.816 . . . . 0.0 110.891 178.678 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 92' ' ' LEU . . . . . . . . . . . . . 48.9 tp -56.63 -46.31 81.05 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.588 -0.733 . . . . 0.0 111.485 -179.236 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 93' ' ' ARG . . . . . 0.455 ' HG3' ' O ' ' B' ' 89' ' ' ALA . 26.6 mtm180 -64.8 -34.12 77.6 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.83 -177.836 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 94' ' ' ILE . . . . . 0.618 HG13 ' O ' ' B' ' 90' ' ' ALA . 24.5 mt -72.78 -31.38 36.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.662 -0.245 . . . . 0.0 110.544 179.453 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 95' ' ' ILE . . . . . 0.572 HD11 ' NE1' ' A' ' 69' ' ' TRP . 24.4 mm -55.88 -49.88 72.19 Favored 'Isoleucine or valine' 0 C--O 1.232 0.176 0 N-CA-C 109.093 -0.706 . . . . 0.0 109.093 171.805 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 96' ' ' ASN . . . . . . . . . . . . . 44.4 m-80 -67.69 -21.62 65.32 Favored 'General case' 0 CA--C 1.517 -0.302 0 CA-C-N 115.142 -0.935 . . . . 0.0 110.817 178.785 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 97' ' ' ALA . . . . . . . . . . . . . . . -82.59 10.64 6.98 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 120.892 0.377 . . . . 0.0 110.789 178.143 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 98' ' ' ARG . . . . . 0.489 ' NE ' ' HA ' ' B' ' 98' ' ' ARG . 4.1 mmp_? . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.6 178.186 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.522 0.483 0 CA-C-O 119.257 -0.746 . . . . 0.0 113.824 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 71.5 Cg_exo -43.68 157.57 0.13 Allowed 'Trans proline' 0 C--N 1.351 0.707 0 C-N-CA 123.521 2.814 . . . . 0.0 113.804 174.237 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 18.9 pt -53.0 -36.48 24.23 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.457 0 N-CA-C 114.053 1.131 . . . . 0.0 114.053 -168.29 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' ARG . . . . . 0.449 ' HG2' HG12 ' A' ' 80' ' ' ILE . 95.6 mtt180 -60.03 -44.03 94.92 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-O 121.501 0.667 . . . . 0.0 110.163 176.59 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 46' ' ' MET . . . . . 0.618 ' O ' HG13 ' A' ' 50' ' ' ILE . 1.7 mpt? -69.85 -29.56 66.84 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.147 -0.933 . . . . 0.0 110.527 179.65 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.407 ' CG2' ' HD2' ' A' ' 68' ' ' ARG . 96.2 t -58.28 -46.75 88.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-O 120.659 0.266 . . . . 0.0 110.441 177.167 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 11.1 mp -66.26 -35.67 81.01 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.942 177.476 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -66.86 -46.75 74.05 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.9 0.381 . . . . 0.0 111.23 177.61 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.618 HG13 ' O ' ' A' ' 46' ' ' MET . 66.2 mt -64.95 -33.8 66.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.059 -0.519 . . . . 0.0 109.686 177.755 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.505 ' O ' ' HG2' ' A' ' 55' ' ' ARG . 5.4 tp -59.8 -55.95 27.84 Favored 'General case' 0 N--CA 1.451 -0.422 0 CA-C-N 115.659 -0.701 . . . . 0.0 110.046 175.725 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -55.29 -39.03 69.39 Favored 'General case' 0 C--O 1.233 0.205 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.771 179.458 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.421 ' HB3' ' O ' ' A' ' 50' ' ' ILE . 77.2 t80 -54.84 -57.58 11.0 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.672 -0.694 . . . . 0.0 110.003 173.867 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 94.7 mt -69.32 -11.51 60.87 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.848 -178.191 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.505 ' HG2' ' O ' ' A' ' 51' ' ' LEU . 23.1 mmm180 -81.8 -48.48 11.55 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.092 0.472 . . . . 0.0 110.786 176.196 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 56' ' ' PHE . . . . . 0.407 ' O ' ' HG3' ' B' ' 46' ' ' MET . 77.2 m-85 -96.78 -15.52 21.3 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.052 -0.522 . . . . 0.0 112.292 -173.774 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 12.0 p -110.24 -3.34 16.33 Favored 'General case' 0 C--N 1.325 -0.477 0 C-N-CA 120.274 -0.57 . . . . 0.0 111.225 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -152.18 179.51 8.45 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.722 -175.562 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 50.0 mm -114.72 113.76 44.62 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-N 115.887 -0.597 . . . . 0.0 109.809 176.875 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 20.8 ttpt 68.3 110.2 0.03 OUTLIER Pre-proline 0 N--CA 1.464 0.266 0 O-C-N 123.971 0.795 . . . . 0.0 111.224 -179.335 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 36.9 Cg_exo -61.04 147.66 95.06 Favored 'Trans proline' 0 C--O 1.232 0.215 0 C-N-CA 122.544 2.163 . . . . 0.0 111.61 174.6 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 9.5 m -61.81 141.9 57.64 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.472 -179.091 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 89.7 mt -61.62 -23.41 66.02 Favored 'General case' 0 N--CA 1.462 0.157 0 CA-C-N 115.612 -0.722 . . . . 0.0 112.356 -171.753 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -62.43 -47.05 92.29 Favored Glycine 0 C--O 1.24 0.472 0 C-N-CA 120.478 -0.868 . . . . 0.0 111.338 174.68 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -64.71 -42.42 95.28 Favored 'General case' 0 C--O 1.22 -0.482 0 N-CA-C 109.891 -0.411 . . . . 0.0 109.891 176.678 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 39.6 mm -59.18 -42.09 85.75 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.257 0 CA-C-O 121.135 0.493 . . . . 0.0 110.857 178.979 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 27.4 t-20 -59.41 -44.92 92.76 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.98 179.006 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 68' ' ' ARG . . . . . 0.407 ' HD2' ' CG2' ' A' ' 47' ' ' VAL . 29.8 ttm180 -78.05 -28.38 48.95 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.348 0.594 . . . . 0.0 109.546 -177.95 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 69' ' ' TRP . . . . . 0.608 ' NE1' HD11 ' B' ' 95' ' ' ILE . 31.9 t90 -60.51 -46.43 90.19 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 114.842 -1.072 . . . . 0.0 110.61 177.783 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -71.73 -15.01 75.6 Favored Glycine 0 N--CA 1.449 -0.443 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.327 177.534 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 25.2 m -87.82 -14.49 39.4 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.781 0.324 . . . . 0.0 110.955 -178.654 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 55.0 t -63.58 136.41 26.28 Favored 'Isoleucine or valine' 0 C--O 1.239 0.539 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.602 178.131 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -62.91 140.4 45.65 Favored Glycine 0 N--CA 1.443 -0.847 0 N-CA-C 111.127 -0.789 . . . . 0.0 111.127 177.121 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.425 ' CD ' HG22 ' B' ' 95' ' ' ILE . 41.4 mmtt -72.3 -32.18 66.35 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-O 120.998 0.427 . . . . 0.0 110.029 -171.648 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 22.8 tptm -65.91 -47.9 73.21 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.648 -0.705 . . . . 0.0 109.446 173.975 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 76' ' ' GLU . . . . . 0.606 ' O ' HG13 ' A' ' 80' ' ' ILE . 5.1 tp10 -58.91 -48.26 82.07 Favored 'General case' 0 N--CA 1.448 -0.554 0 CA-C-N 115.077 -0.965 . . . . 0.0 109.89 179.651 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.401 ' O ' HG12 ' A' ' 81' ' ' ILE . . . -56.55 -41.77 77.41 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.46 -178.946 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 78' ' ' MET . . . . . 0.407 ' HG3' ' O ' ' A' ' 74' ' ' LYS . 63.9 mtt -59.42 -43.12 93.1 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-O 120.832 0.348 . . . . 0.0 110.55 178.662 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.528 ' O ' ' HG2' ' A' ' 83' ' ' LYS . 38.9 mt-10 -70.44 -40.78 73.56 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.804 179.2 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.606 HG13 ' O ' ' A' ' 76' ' ' GLU . 84.8 mt -60.56 -49.82 82.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.675 179.231 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.401 HG12 ' O ' ' A' ' 77' ' ' ALA . 42.6 mm -59.96 -37.73 73.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.58 178.848 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 57.9 tttm -62.54 -46.19 89.5 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.362 178.529 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 83' ' ' LYS . . . . . 0.528 ' HG2' ' O ' ' A' ' 79' ' ' GLU . 11.6 mmpt? -66.68 -38.24 86.39 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.385 178.713 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 84' ' ' PHE . . . . . 0.427 ' O ' ' HG ' ' A' ' 88' ' ' LEU . 2.2 t80 -62.2 -49.71 74.68 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.246 -179.011 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -61.57 -34.39 75.51 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.852 178.933 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 86.9 tttt -65.2 -44.44 88.36 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.662 178.914 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 87' ' ' ASP . . . . . 0.618 ' O ' ' HG3' ' A' ' 91' ' ' MET . 16.8 t70 -68.88 -35.61 77.09 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 110.05 -0.352 . . . . 0.0 110.05 -178.6 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.427 ' HG ' ' O ' ' A' ' 84' ' ' PHE . 93.0 mt -59.74 -39.54 85.11 Favored 'General case' 0 N--CA 1.463 0.175 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.457 175.396 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -62.82 -40.64 98.02 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.459 177.735 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 90' ' ' ALA . . . . . 0.487 ' O ' HG13 ' A' ' 94' ' ' ILE . . . -64.03 -44.86 91.24 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.284 177.082 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 91' ' ' MET . . . . . 0.618 ' HG3' ' O ' ' A' ' 87' ' ' ASP . 54.9 mtt -55.28 -50.17 70.22 Favored 'General case' 0 CA--C 1.52 -0.209 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.162 177.421 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 67.7 tp -53.08 -47.86 68.21 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.333 -0.848 . . . . 0.0 111.77 -178.369 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 77.1 ttt180 -63.29 -38.33 90.74 Favored 'General case' 0 N--CA 1.445 -0.714 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.716 -178.453 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 94' ' ' ILE . . . . . 0.487 HG13 ' O ' ' A' ' 90' ' ' ALA . 55.4 mt -71.14 -32.79 48.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.611 179.402 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.606 HD11 ' NE1' ' B' ' 69' ' ' TRP . 23.3 mm -53.71 -49.4 57.46 Favored 'Isoleucine or valine' 0 C--O 1.234 0.265 0 CA-C-O 121.315 0.579 . . . . 0.0 109.466 173.181 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 63.8 t30 -66.63 -35.98 81.49 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.096 -0.956 . . . . 0.0 110.72 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -68.33 -26.34 65.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.185 0.517 . . . . 0.0 110.45 177.832 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 36.0 mmt180 . . . . . 0 C--N 1.325 -0.467 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.99 177.443 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' B' B ' 42' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.522 0.52 0 CA-C-O 119.249 -0.751 . . . . 0.0 113.819 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' B' B ' 43' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_exo -43.92 157.4 0.15 Allowed 'Trans proline' 0 C--N 1.351 0.709 0 C-N-CA 123.473 2.782 . . . . 0.0 113.864 174.269 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 18.5 pt -52.66 -36.63 23.04 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.45 0 N-CA-C 114.032 1.123 . . . . 0.0 114.032 -168.242 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 45' ' ' ARG . . . . . 0.459 ' HG2' HG12 ' B' ' 80' ' ' ILE . 95.6 mtt180 -60.05 -43.85 95.1 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-O 121.48 0.657 . . . . 0.0 110.24 176.682 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 46' ' ' MET . . . . . 0.622 ' O ' HG13 ' B' ' 50' ' ' ILE . 1.7 mpt? -69.88 -29.62 66.88 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.145 -0.934 . . . . 0.0 110.574 179.564 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 47' ' ' VAL . . . . . 0.409 ' CG2' ' HD2' ' B' ' 68' ' ' ARG . 98.1 t -58.23 -46.85 88.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-O 120.636 0.255 . . . . 0.0 110.348 177.226 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 11.1 mp -66.21 -35.71 81.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.915 177.555 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -66.85 -46.68 74.27 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.841 0.353 . . . . 0.0 111.165 177.645 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 50' ' ' ILE . . . . . 0.622 HG13 ' O ' ' B' ' 46' ' ' MET . 66.1 mt -65.03 -33.96 67.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.074 -0.512 . . . . 0.0 109.65 177.811 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 51' ' ' LEU . . . . . 0.509 HD22 ' NE1' ' B' ' 69' ' ' TRP . 5.4 tp -59.64 -55.98 27.59 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.054 175.692 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -55.23 -39.06 69.26 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.859 179.379 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 53' ' ' PHE . . . . . 0.417 ' HB3' ' O ' ' B' ' 50' ' ' ILE . 77.2 t80 -54.77 -57.66 10.65 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.097 173.75 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 54' ' ' LEU . . . . . . . . . . . . . 94.8 mt -69.24 -11.5 60.85 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.922 -178.244 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 55' ' ' ARG . . . . . 0.504 ' HG2' ' O ' ' B' ' 51' ' ' LEU . 23.2 mmm180 -81.83 -48.29 11.76 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.992 0.425 . . . . 0.0 110.909 176.125 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 56' ' ' PHE . . . . . 0.416 ' O ' ' HG3' ' A' ' 46' ' ' MET . 77.2 m-85 -96.98 -15.34 21.15 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.055 -0.521 . . . . 0.0 112.314 -173.945 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 57' ' ' THR . . . . . . . . . . . . . 12.1 p -110.48 -3.16 16.18 Favored 'General case' 0 C--N 1.326 -0.429 0 C-N-CA 120.325 -0.55 . . . . 0.0 111.14 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -152.43 179.34 8.65 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.89 -175.686 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 59' ' ' ILE . . . . . . . . . . . . . 50.1 mm -114.48 113.8 44.79 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 CA-C-N 115.87 -0.605 . . . . 0.0 109.765 176.998 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 20.9 ttpt 68.05 110.06 0.03 OUTLIER Pre-proline 0 N--CA 1.464 0.265 0 O-C-N 123.864 0.727 . . . . 0.0 111.286 -179.441 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 61' ' ' PRO . . . . . . . . . . . . . 36.2 Cg_exo -60.98 147.48 95.58 Favored 'Trans proline' 0 C--O 1.234 0.294 0 C-N-CA 122.587 2.191 . . . . 0.0 111.559 174.708 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 10.5 m -61.64 141.88 57.52 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.564 -179.076 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 89.3 mt -61.36 -23.39 65.73 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-N 115.616 -0.72 . . . . 0.0 112.386 -171.792 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -62.68 -47.22 90.81 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.5 -0.857 . . . . 0.0 111.238 174.895 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -64.47 -42.24 96.03 Favored 'General case' 0 C--O 1.22 -0.482 0 N-CA-C 109.844 -0.428 . . . . 0.0 109.844 176.744 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 66' ' ' ILE . . . . . . . . . . . . . 39.4 mm -59.48 -41.75 85.65 Favored 'Isoleucine or valine' 0 C--O 1.234 0.238 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.87 179.034 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 67' ' ' ASN . . . . . . . . . . . . . 27.5 t-20 -59.71 -44.9 93.51 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.923 178.959 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 68' ' ' ARG . . . . . 0.409 ' HD2' ' CG2' ' B' ' 47' ' ' VAL . 29.7 ttm180 -77.91 -28.52 49.79 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.383 0.611 . . . . 0.0 109.622 -178.067 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 69' ' ' TRP . . . . . 0.606 ' NE1' HD11 ' A' ' 95' ' ' ILE . 31.9 t90 -60.41 -46.5 89.78 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 114.825 -1.08 . . . . 0.0 110.629 177.888 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . -71.74 -15.42 75.78 Favored Glycine 0 N--CA 1.449 -0.447 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.254 177.786 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 71' ' ' SER . . . . . . . . . . . . . 29.5 m -87.11 -15.11 39.43 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.744 0.307 . . . . 0.0 110.98 -178.646 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 72' ' ' VAL . . . . . . . . . . . . . 54.4 t -63.04 136.45 26.05 Favored 'Isoleucine or valine' 0 C--O 1.239 0.52 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.661 178.314 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 73' ' ' GLY . . . . . . . . . . . . . . . -62.72 139.96 45.57 Favored Glycine 0 N--CA 1.444 -0.788 0 N-CA-C 111.22 -0.752 . . . . 0.0 111.22 176.99 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 74' ' ' LYS . . . . . 0.436 ' CD ' HG22 ' A' ' 95' ' ' ILE . 41.5 mmtt -72.06 -31.8 66.47 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-O 120.956 0.408 . . . . 0.0 110.099 -171.763 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 75' ' ' LYS . . . . . . . . . . . . . 22.8 tptm -66.28 -47.68 72.87 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.694 -0.685 . . . . 0.0 109.471 174.117 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 76' ' ' GLU . . . . . 0.61 ' O ' HG13 ' B' ' 80' ' ' ILE . 5.1 tp10 -59.18 -48.2 82.51 Favored 'General case' 0 N--CA 1.449 -0.508 0 CA-C-N 114.855 -1.066 . . . . 0.0 109.76 179.739 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 77' ' ' ALA . . . . . . . . . . . . . . . -56.56 -41.76 77.44 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.844 -0.616 . . . . 0.0 111.456 -179.024 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 78' ' ' MET . . . . . . . . . . . . . 63.4 mtt -59.47 -43.03 93.32 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.94 0.4 . . . . 0.0 110.595 178.729 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 79' ' ' GLU . . . . . 0.522 ' O ' ' HG2' ' B' ' 83' ' ' LYS . 38.3 mt-10 -70.51 -40.84 73.28 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.831 179.18 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 80' ' ' ILE . . . . . 0.61 HG13 ' O ' ' B' ' 76' ' ' GLU . 84.3 mt -60.36 -49.72 83.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.8 179.137 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 81' ' ' ILE . . . . . . . . . . . . . 42.5 mm -60.25 -37.56 74.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.59 178.806 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 82' ' ' LYS . . . . . . . . . . . . . 57.9 tttm -62.64 -46.13 89.64 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.432 178.496 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 83' ' ' LYS . . . . . 0.522 ' HG2' ' O ' ' B' ' 79' ' ' GLU . 11.6 mmpt? -66.65 -38.39 86.78 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.418 178.581 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 84' ' ' PHE . . . . . 0.421 ' O ' ' HG ' ' B' ' 88' ' ' LEU . 2.2 t80 -62.22 -49.71 74.67 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.252 -179.014 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 85' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -61.44 -34.27 75.13 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.885 178.868 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 86' ' ' LYS . . . . . . . . . . . . . 86.9 tttt -65.34 -44.29 88.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.718 178.979 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 87' ' ' ASP . . . . . 0.645 ' O ' ' HG3' ' B' ' 91' ' ' MET . 17.0 t70 -69.19 -35.35 76.14 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 109.973 -0.38 . . . . 0.0 109.973 -178.406 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 88' ' ' LEU . . . . . 0.421 ' HG ' ' O ' ' B' ' 84' ' ' PHE . 93.1 mt -59.94 -39.51 85.78 Favored 'General case' 0 N--CA 1.462 0.148 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.381 175.412 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -62.98 -40.65 98.36 Favored 'General case' 0 C--O 1.235 0.33 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.396 177.801 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 90' ' ' ALA . . . . . 0.5 ' O ' HG13 ' B' ' 94' ' ' ILE . . . -63.74 -45.0 91.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.481 176.773 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 91' ' ' MET . . . . . 0.645 ' HG3' ' O ' ' B' ' 87' ' ' ASP . 54.9 mtt -55.33 -50.2 70.24 Favored 'General case' 0 CA--C 1.52 -0.185 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.192 177.373 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 92' ' ' LEU . . . . . . . . . . . . . 67.0 tp -53.17 -48.16 68.24 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-N 115.292 -0.867 . . . . 0.0 111.606 -178.181 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 93' ' ' ARG . . . . . . . . . . . . . 77.1 ttt180 -62.94 -38.18 90.01 Favored 'General case' 0 N--CA 1.444 -0.751 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.75 -178.433 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 94' ' ' ILE . . . . . 0.5 HG13 ' O ' ' B' ' 90' ' ' ALA . 56.2 mt -71.41 -32.69 47.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.56 179.567 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 95' ' ' ILE . . . . . 0.608 HD11 ' NE1' ' A' ' 69' ' ' TRP . 23.2 mm -53.66 -49.55 55.91 Favored 'Isoleucine or valine' 0 C--O 1.235 0.325 0 N-CA-C 109.442 -0.577 . . . . 0.0 109.442 173.08 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 96' ' ' ASN . . . . . . . . . . . . . 62.7 t30 -66.59 -35.98 81.51 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.081 -0.963 . . . . 0.0 110.655 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 97' ' ' ALA . . . . . . . . . . . . . . . -68.14 -26.88 66.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.258 0.552 . . . . 0.0 110.44 177.889 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 98' ' ' ARG . . . . . . . . . . . . . 36.0 mmt180 . . . . . 0 C--N 1.326 -0.429 0 CA-C-N 115.601 -0.727 . . . . 0.0 111.093 177.632 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 42' ' ' GLY . . . . . 0.589 ' HA3' ' SD ' ' A' ' 46' ' ' MET . . . . . . . . 0 N--CA 1.446 -0.653 0 N-CA-C 112.313 -0.315 . . . . 0.0 112.313 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.578 ' O ' HG23 ' A' ' 47' ' ' VAL . 31.4 Cg_exo -61.94 168.62 8.6 Favored 'Trans proline' 0 CA--C 1.528 0.224 0 C-N-CA 123.4 2.733 . . . . 0.0 112.709 178.274 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 13.4 pt -57.35 -35.5 49.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 N-CA-C 112.126 0.417 . . . . 0.0 112.126 -175.963 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' ARG . . . . . 0.41 HH11 ' HD3' ' A' ' 45' ' ' ARG . 44.4 mtp-105 -59.96 -45.63 92.04 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 121.307 0.575 . . . . 0.0 110.288 175.201 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 46' ' ' MET . . . . . 0.589 ' SD ' ' HA3' ' A' ' 42' ' ' GLY . 56.4 ttm -68.04 -31.09 70.51 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.42 -0.809 . . . . 0.0 110.362 -179.802 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.578 HG23 ' O ' ' A' ' 43' ' ' PRO . 59.1 t -58.59 -48.99 84.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.55 177.068 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 88.4 mt -69.52 -29.83 67.53 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.807 179.571 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -69.69 -48.93 57.92 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.21 178.879 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 30.3 pt -70.28 -24.94 26.38 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-O 121.106 0.479 . . . . 0.0 110.343 179.49 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.432 HD22 ' CD1' ' A' ' 69' ' ' TRP . 10.7 tp -66.53 -49.01 67.92 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.741 -0.663 . . . . 0.0 109.782 173.913 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -57.88 -37.75 74.52 Favored 'General case' 0 C--O 1.233 0.192 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.423 178.349 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 82.3 t80 -55.79 -63.49 1.16 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.77 -0.65 . . . . 0.0 109.881 174.313 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 95.8 mt -66.09 -5.91 11.42 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.062 0.458 . . . . 0.0 112.018 -178.198 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 28.6 tpt180 -89.95 -51.36 5.52 Favored 'General case' 0 N--CA 1.425 -1.714 0 CA-C-O 120.919 0.39 . . . . 0.0 110.441 177.955 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 92.4 m-85 -89.0 -24.18 22.44 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.936 -175.99 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 30.7 p -90.85 2.91 55.74 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 109.851 -0.426 . . . . 0.0 109.851 177.063 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.411 ' O ' ' HB ' ' A' ' 59' ' ' ILE . . . 72.56 -172.34 0.15 Allowed 'General case' 0 C--O 1.231 0.089 0 CA-C-N 114.773 -1.103 . . . . 0.0 111.305 -179.225 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.411 ' HB ' ' O ' ' A' ' 58' ' ' ALA . 47.8 mm 71.84 105.21 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.464 0.238 0 O-C-N 123.728 0.642 . . . . 0.0 110.141 -172.458 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 58.1 tttp -62.2 126.73 88.35 Favored Pre-proline 0 C--N 1.326 -0.429 0 CA-C-N 115.496 -0.774 . . . . 0.0 111.259 -175.082 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 45.0 Cg_exo -56.43 138.1 82.84 Favored 'Trans proline' 0 C--N 1.345 0.367 0 C-N-CA 122.919 2.412 . . . . 0.0 111.826 176.58 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 16.4 m -69.27 165.13 21.24 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.101 -179.144 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -61.07 -28.82 69.35 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.712 -0.222 . . . . 0.0 111.302 -176.101 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -60.14 -43.18 98.6 Favored Glycine 0 N--CA 1.453 -0.212 0 C-N-CA 120.576 -0.821 . . . . 0.0 111.448 176.034 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -64.15 -47.65 79.07 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 109.682 -0.488 . . . . 0.0 109.682 177.511 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 50.4 mm -62.63 -36.58 75.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 115.475 -0.784 . . . . 0.0 111.274 -177.58 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 10.1 t30 -64.68 -43.61 93.01 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.88 178.621 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 51.0 ttp180 -76.59 -30.4 56.97 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.527 0.68 . . . . 0.0 109.683 -178.49 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 69' ' ' TRP . . . . . 0.466 ' CD1' HD11 ' B' ' 95' ' ' ILE . 39.0 t90 -57.96 -49.56 76.38 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 114.822 -1.081 . . . . 0.0 110.638 175.104 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -74.77 1.07 55.17 Favored Glycine 0 CA--C 1.521 0.454 0 C-N-CA 120.889 -0.672 . . . . 0.0 112.853 177.812 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 58.2 m -94.35 -13.52 26.3 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.775 0.322 . . . . 0.0 110.73 178.838 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 47.8 t -68.32 136.32 26.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 0.0 109.803 176.819 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -62.71 139.74 45.41 Favored Glycine 0 N--CA 1.443 -0.856 0 C-N-CA 120.782 -0.723 . . . . 0.0 111.414 178.109 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.515 ' O ' ' HG3' ' A' ' 78' ' ' MET . 25.5 mmtp -65.13 -39.93 93.73 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 109.388 -0.597 . . . . 0.0 109.388 -175.058 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 22.6 tptm -62.71 -47.33 84.07 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.234 -0.894 . . . . 0.0 110.248 176.144 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 76' ' ' GLU . . . . . 0.469 ' O ' HG13 ' A' ' 80' ' ' ILE . 9.5 tp10 -64.7 -41.33 96.09 Favored 'General case' 0 N--CA 1.45 -0.471 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.296 -178.381 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -57.15 -41.22 78.75 Favored 'General case' 0 N--CA 1.454 -0.232 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.525 178.394 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 78' ' ' MET . . . . . 0.515 ' HG3' ' O ' ' A' ' 74' ' ' LYS . 66.3 mtt -60.91 -43.39 98.61 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.388 178.071 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -69.66 -39.66 76.92 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.927 -0.579 . . . . 0.0 111.254 -179.432 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.469 HG13 ' O ' ' A' ' 76' ' ' GLU . 88.7 mt -65.43 -50.42 72.71 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.68 178.699 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 43.5 mm -61.75 -34.31 61.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.512 179.362 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 24.0 tptm -60.32 -49.5 77.37 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.486 177.033 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 57.3 mttp -71.55 -28.72 64.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.532 179.877 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 84' ' ' PHE . . . . . 0.523 ' O ' ' HG ' ' A' ' 88' ' ' LEU . 2.0 t80 -62.38 -53.8 49.63 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.914 -0.585 . . . . 0.0 109.436 177.47 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -62.27 -35.11 77.97 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.844 -0.617 . . . . 0.0 110.779 178.131 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 6.7 tmtm? -62.71 -49.47 74.96 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.223 -179.591 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -69.64 -32.26 70.85 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.27 -178.009 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.523 ' HG ' ' O ' ' A' ' 84' ' ' PHE . 86.8 mt -63.0 -42.17 99.78 Favored 'General case' 0 N--CA 1.463 0.188 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.63 174.744 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -60.76 -44.54 96.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.459 179.071 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 90' ' ' ALA . . . . . 0.661 ' O ' HG13 ' A' ' 94' ' ' ILE . . . -61.89 -46.42 89.47 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.39 176.487 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 60.9 tpp -59.51 -40.76 88.13 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.695 -179.829 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 58.0 tp -58.77 -43.62 90.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.789 177.877 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 80.0 mtp180 -66.14 -29.44 69.74 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.098 179.86 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 94' ' ' ILE . . . . . 0.661 HG13 ' O ' ' A' ' 90' ' ' ALA . 12.7 mt -74.04 -34.96 40.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 C-N-CA 120.818 -0.353 . . . . 0.0 110.555 178.666 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.479 HD11 ' CD1' ' B' ' 69' ' ' TRP . 20.3 mm -55.54 -49.26 74.81 Favored 'Isoleucine or valine' 0 C--O 1.232 0.179 0 N-CA-C 109.16 -0.682 . . . . 0.0 109.16 173.08 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 96' ' ' ASN . . . . . 0.495 ' OD1' ' HB3' ' B' ' 74' ' ' LYS . 86.9 m-20 -59.42 -45.79 90.56 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.019 175.355 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -65.49 -6.5 10.78 Favored 'General case' 0 CA--C 1.53 0.204 0 CA-C-N 115.639 -0.71 . . . . 0.0 112.822 -175.262 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 98' ' ' ARG . . . . . 0.47 ' HD2' ' CZ3' ' B' ' 69' ' ' TRP . 5.6 mmp_? . . . . . 0 C--N 1.331 -0.201 0 CA-C-O 121.311 0.576 . . . . 0.0 109.712 172.397 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 42' ' ' GLY . . . . . 0.585 ' HA3' ' SD ' ' B' ' 46' ' ' MET . . . . . . . . 0 N--CA 1.446 -0.645 0 N-CA-C 112.329 -0.308 . . . . 0.0 112.329 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 43' ' ' PRO . . . . . 0.576 ' O ' HG23 ' B' ' 47' ' ' VAL . 31.3 Cg_exo -62.24 168.85 8.71 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 123.386 2.724 . . . . 0.0 112.741 178.059 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 13.2 pt -57.48 -35.47 49.89 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.412 0 N-CA-C 112.12 0.415 . . . . 0.0 112.12 -175.756 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 45' ' ' ARG . . . . . 0.401 HH11 ' HD3' ' B' ' 45' ' ' ARG . 44.9 mtp180 -60.06 -45.53 92.57 Favored 'General case' 0 N--CA 1.462 0.157 0 CA-C-O 121.235 0.54 . . . . 0.0 110.288 175.301 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 46' ' ' MET . . . . . 0.585 ' SD ' ' HA3' ' B' ' 42' ' ' GLY . 55.9 ttm -68.02 -31.15 70.63 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.496 -0.775 . . . . 0.0 110.411 -179.903 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 47' ' ' VAL . . . . . 0.576 HG23 ' O ' ' B' ' 43' ' ' PRO . 58.0 t -58.42 -49.15 83.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.568 176.96 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 87.9 mt -69.42 -30.0 67.85 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.724 179.665 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -69.57 -48.95 58.53 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.235 178.875 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 50' ' ' ILE . . . . . . . . . . . . . 30.3 pt -70.3 -24.8 26.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.902 0.382 . . . . 0.0 110.293 179.464 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 51' ' ' LEU . . . . . 0.44 HD22 ' CD1' ' B' ' 69' ' ' TRP . 10.6 tp -66.65 -49.04 67.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.874 -0.603 . . . . 0.0 109.711 173.941 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -57.83 -37.67 74.24 Favored 'General case' 0 C--O 1.233 0.213 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.427 178.34 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 53' ' ' PHE . . . . . . . . . . . . . 82.4 t80 -55.94 -63.31 1.22 Allowed 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.797 -0.638 . . . . 0.0 109.909 174.327 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 54' ' ' LEU . . . . . . . . . . . . . 95.8 mt -66.17 -5.84 11.47 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-O 121.039 0.447 . . . . 0.0 112.1 -178.272 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 55' ' ' ARG . . . . . . . . . . . . . 28.6 tpt180 -89.91 -51.46 5.47 Favored 'General case' 0 N--CA 1.425 -1.711 0 CA-C-O 120.949 0.404 . . . . 0.0 110.481 177.931 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 56' ' ' PHE . . . . . 0.42 ' CZ ' ' HA ' ' A' ' 84' ' ' PHE . 92.3 m-85 -88.95 -24.1 22.51 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.112 -0.494 . . . . 0.0 112.059 -175.969 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 57' ' ' THR . . . . . . . . . . . . . 31.0 p -90.81 2.56 55.98 Favored 'General case' 0 C--O 1.236 0.366 0 CA-C-O 121.053 0.454 . . . . 0.0 109.913 176.924 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 58' ' ' ALA . . . . . 0.422 ' O ' ' HB ' ' B' ' 59' ' ' ILE . . . 72.73 -172.46 0.14 Allowed 'General case' 0 N--CA 1.462 0.127 0 CA-C-N 114.737 -1.12 . . . . 0.0 111.173 -179.154 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 59' ' ' ILE . . . . . 0.422 ' HB ' ' O ' ' B' ' 58' ' ' ALA . 47.5 mm 72.03 105.39 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.462 0.173 0 O-C-N 123.723 0.64 . . . . 0.0 110.169 -172.459 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 58.4 tttp -62.38 126.91 89.02 Favored Pre-proline 0 C--N 1.327 -0.405 0 CA-C-N 115.438 -0.801 . . . . 0.0 111.094 -174.916 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 61' ' ' PRO . . . . . . . . . . . . . 45.1 Cg_exo -56.44 138.49 84.31 Favored 'Trans proline' 0 C--N 1.345 0.392 0 C-N-CA 122.892 2.395 . . . . 0.0 111.878 176.362 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 16.0 m -69.65 164.9 22.36 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.056 -179.111 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 63' ' ' LEU . . . . . 0.403 HD13 ' HA ' ' B' ' 63' ' ' LEU . 4.2 mm? -60.68 -29.11 69.1 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.702 -0.226 . . . . 0.0 111.241 -176.348 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -60.34 -42.64 98.93 Favored Glycine 0 C--O 1.237 0.289 0 C-N-CA 120.542 -0.837 . . . . 0.0 111.558 176.372 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -64.43 -47.7 78.12 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 109.737 -0.468 . . . . 0.0 109.737 177.187 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 66' ' ' ILE . . . . . . . . . . . . . 50.3 mm -62.71 -36.56 75.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 115.462 -0.79 . . . . 0.0 111.334 -177.567 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 67' ' ' ASN . . . . . . . . . . . . . 10.2 t30 -64.63 -43.52 93.43 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.797 178.436 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 68' ' ' ARG . . . . . . . . . . . . . 51.0 ttp180 -76.55 -30.5 57.11 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.508 0.67 . . . . 0.0 109.767 -178.53 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 69' ' ' TRP . . . . . 0.479 ' CD1' HD11 ' A' ' 95' ' ' ILE . 39.3 t90 -57.86 -49.36 76.95 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 114.772 -1.104 . . . . 0.0 110.738 175.112 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . -75.13 1.56 55.28 Favored Glycine 0 CA--C 1.521 0.439 0 C-N-CA 120.943 -0.646 . . . . 0.0 112.829 177.684 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 71' ' ' SER . . . . . . . . . . . . . 55.8 m -94.61 -13.74 25.63 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 122.62 -0.341 . . . . 0.0 110.657 178.724 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 72' ' ' VAL . . . . . . . . . . . . . 47.3 t -68.06 136.43 26.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.227 -0.442 . . . . 0.0 109.851 176.835 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 73' ' ' GLY . . . . . . . . . . . . . . . -62.98 139.84 45.1 Favored Glycine 0 N--CA 1.446 -0.69 0 C-N-CA 120.691 -0.766 . . . . 0.0 111.32 178.087 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 74' ' ' LYS . . . . . 0.535 ' O ' ' HG3' ' B' ' 78' ' ' MET . 25.4 mmtp -65.28 -39.6 92.8 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 109.418 -0.586 . . . . 0.0 109.418 -175.0 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 75' ' ' LYS . . . . . . . . . . . . . 22.6 tptm -62.77 -47.07 85.13 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.251 -0.886 . . . . 0.0 110.239 176.022 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 76' ' ' GLU . . . . . 0.487 ' O ' HG13 ' B' ' 80' ' ' ILE . 9.9 tp10 -65.23 -41.32 94.51 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.163 -178.238 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 77' ' ' ALA . . . . . . . . . . . . . . . -57.08 -41.2 78.41 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.483 -0.326 . . . . 0.0 110.465 178.374 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 78' ' ' MET . . . . . 0.535 ' HG3' ' O ' ' B' ' 74' ' ' LYS . 66.3 mtt -60.84 -43.21 98.6 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.553 178.003 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 79' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -69.92 -39.52 76.09 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.892 -0.595 . . . . 0.0 111.256 -179.525 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 80' ' ' ILE . . . . . 0.487 HG13 ' O ' ' B' ' 76' ' ' GLU . 88.8 mt -65.44 -50.32 73.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.694 178.811 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 81' ' ' ILE . . . . . . . . . . . . . 44.3 mm -61.71 -34.32 61.65 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.609 179.212 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 82' ' ' LYS . . . . . . . . . . . . . 24.0 tptm -60.37 -49.46 77.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.381 177.13 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 83' ' ' LYS . . . . . . . . . . . . . 57.5 mttp -71.76 -28.51 63.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.506 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 84' ' ' PHE . . . . . 0.54 ' O ' ' HG ' ' B' ' 88' ' ' LEU . 2.0 t80 -62.55 -53.9 47.75 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.874 -0.603 . . . . 0.0 109.449 177.444 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 85' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -62.01 -35.09 77.53 Favored 'General case' 0 C--O 1.233 0.19 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.754 178.039 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 86' ' ' LYS . . . . . . . . . . . . . 6.7 tmtm? -62.77 -49.54 74.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.268 -179.5 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 87' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -69.38 -32.54 71.64 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.18 -178.112 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 88' ' ' LEU . . . . . 0.54 ' HG ' ' O ' ' B' ' 84' ' ' PHE . 87.1 mt -62.89 -42.16 99.67 Favored 'General case' 0 N--CA 1.463 0.194 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.631 174.949 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -60.7 -44.6 96.36 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.412 179.118 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 90' ' ' ALA . . . . . 0.656 ' O ' HG13 ' B' ' 94' ' ' ILE . . . -61.93 -46.13 90.69 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.387 176.623 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 91' ' ' MET . . . . . . . . . . . . . 61.0 tpp -59.88 -40.82 89.99 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.622 -179.767 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 92' ' ' LEU . . . . . . . . . . . . . 58.1 tp -58.71 -43.61 90.14 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.769 -0.651 . . . . 0.0 110.794 177.798 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 93' ' ' ARG . . . . . . . . . . . . . 80.0 mtp180 -65.88 -29.92 70.44 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.007 179.792 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 94' ' ' ILE . . . . . 0.656 HG13 ' O ' ' B' ' 90' ' ' ALA . 12.9 mt -73.63 -34.85 42.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 C-N-CA 120.791 -0.364 . . . . 0.0 110.582 179.056 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 95' ' ' ILE . . . . . 0.466 HD11 ' CD1' ' A' ' 69' ' ' TRP . 20.3 mm -55.86 -49.07 77.16 Favored 'Isoleucine or valine' 0 C--O 1.232 0.171 0 N-CA-C 109.178 -0.675 . . . . 0.0 109.178 173.151 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 96' ' ' ASN . . . . . 0.507 ' OD1' ' HB3' ' A' ' 74' ' ' LYS . 86.8 m-20 -59.47 -45.78 90.66 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.034 175.272 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 97' ' ' ALA . . . . . . . . . . . . . . . -65.69 -6.22 10.83 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.57 -0.741 . . . . 0.0 112.758 -175.321 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 98' ' ' ARG . . . . . 0.461 ' HD2' ' CZ3' ' A' ' 69' ' ' TRP . 5.6 mmp_? . . . . . 0 C--N 1.331 -0.227 0 CA-C-O 121.24 0.543 . . . . 0.0 109.736 172.301 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.445 -0.731 0 N-CA-C 111.607 -0.597 . . . . 0.0 111.607 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.562 ' HD2' ' SD ' ' A' ' 46' ' ' MET . 50.1 Cg_endo -68.58 176.69 5.52 Favored 'Trans proline' 0 N--CA 1.464 -0.215 0 C-N-CA 122.592 2.195 . . . . 0.0 111.746 176.638 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.415 ' HB ' HG22 ' A' ' 72' ' ' VAL . 19.3 pt -47.71 -44.67 10.61 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.528 0 N-CA-C 113.772 1.027 . . . . 0.0 113.772 -171.461 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' ARG . . . . . 0.46 ' HA ' HD13 ' A' ' 80' ' ' ILE . 99.8 mtt180 -67.23 -41.99 84.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.048 0.452 . . . . 0.0 110.804 -178.722 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 46' ' ' MET . . . . . 0.576 ' O ' HG13 ' A' ' 50' ' ' ILE . 56.3 mtt -68.02 -27.33 66.45 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.788 176.59 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.524 HG23 ' O ' ' A' ' 43' ' ' PRO . 90.3 t -59.38 -49.73 82.45 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.177 0 N-CA-C 110.148 -0.316 . . . . 0.0 110.148 175.859 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 11.2 mp -64.04 -32.5 74.07 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.035 177.993 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -67.79 -48.97 64.82 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.133 176.932 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.576 HG13 ' O ' ' A' ' 46' ' ' MET . 57.0 mt -65.9 -31.53 54.11 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-O 121.309 0.576 . . . . 0.0 109.83 177.792 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 15.8 tp -59.25 -53.8 54.17 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.474 -0.784 . . . . 0.0 110.255 175.019 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.55 -38.05 80.06 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-O 121.008 0.432 . . . . 0.0 110.577 178.733 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.411 ' HB3' ' O ' ' A' ' 50' ' ' ILE . 87.2 t80 -55.39 -60.7 3.04 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.53 -0.759 . . . . 0.0 109.412 174.58 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.524 HD13 ' H ' ' A' ' 62' ' ' SER . 64.4 mt -72.41 -0.43 12.48 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.777 -178.579 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 20.6 tpt180 -90.33 -35.28 15.33 Favored 'General case' 0 N--CA 1.427 -1.581 0 CA-C-O 121.044 0.45 . . . . 0.0 110.118 177.154 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 57.9 m-85 -110.79 -22.9 11.33 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 112.439 0.533 . . . . 0.0 112.439 -176.572 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' THR . . . . . 0.514 ' HA ' ' HG2' ' B' ' 46' ' ' MET . 35.0 p -96.27 -5.88 39.21 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.376 0.608 . . . . 0.0 110.707 -179.817 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -140.97 167.75 21.43 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.514 -0.766 . . . . 0.0 110.442 -174.738 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.453 ' N ' HD12 ' A' ' 59' ' ' ILE . 4.2 mp -90.67 -25.38 5.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-O 121.932 0.873 . . . . 0.0 110.201 -176.48 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -148.26 124.06 5.24 Favored Pre-proline 0 C--N 1.306 -1.317 0 CA-C-N 114.509 -1.223 . . . . 0.0 110.55 -179.719 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' PRO . . . . . 0.425 ' HB2' HD11 ' A' ' 66' ' ' ILE . 30.2 Cg_exo -62.22 139.66 79.05 Favored 'Trans proline' 0 C--O 1.233 0.249 0 C-N-CA 122.674 2.249 . . . . 0.0 111.921 175.623 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 62' ' ' SER . . . . . 0.524 ' H ' HD13 ' A' ' 54' ' ' LEU . 46.7 t -61.79 137.68 58.27 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.966 -179.102 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 95.1 mt -65.62 -20.73 66.42 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.456 -0.793 . . . . 0.0 111.596 -175.51 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -63.09 -45.33 95.7 Favored Glycine 0 N--CA 1.449 -0.462 0 C-N-CA 120.422 -0.894 . . . . 0.0 111.116 174.432 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.537 ' O ' ' HB2' ' A' ' 69' ' ' TRP . 4.0 mm? -70.75 -30.03 66.44 Favored 'General case' 0 C--O 1.22 -0.465 0 N-CA-C 110.129 -0.322 . . . . 0.0 110.129 177.297 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.425 HD11 ' HB2' ' A' ' 61' ' ' PRO . 47.3 mm -70.19 -30.95 45.59 Favored 'Isoleucine or valine' 0 C--O 1.235 0.342 0 CA-C-O 121.249 0.547 . . . . 0.0 110.542 177.561 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 44.5 t30 -70.76 -43.06 69.58 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.4 177.456 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 39.2 ttm180 -86.44 -7.08 58.71 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.697 0.761 . . . . 0.0 109.917 -178.328 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 69' ' ' TRP . . . . . 0.581 ' NE1' HD11 ' B' ' 95' ' ' ILE . 7.2 t90 -59.8 -44.56 93.92 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 114.601 -1.182 . . . . 0.0 110.048 177.279 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -80.7 -10.83 84.69 Favored Glycine 0 N--CA 1.449 -0.492 0 CA-C-N 115.575 -0.738 . . . . 0.0 112.315 178.419 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 47.7 t -69.49 -16.96 63.56 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.101 0.477 . . . . 0.0 109.995 178.928 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.416 ' C ' ' H ' ' A' ' 74' ' ' LYS . 12.1 t -74.54 135.23 27.84 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.538 0 N-CA-C 108.923 -0.769 . . . . 0.0 108.923 174.231 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 73' ' ' GLY . . . . . 0.581 ' O ' ' HG2' ' A' ' 74' ' ' LYS . . . -72.43 19.27 1.13 Allowed Glycine 0 CA--C 1.524 0.598 0 C-N-CA 121.321 -0.466 . . . . 0.0 114.234 -173.493 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.581 ' HG2' ' O ' ' A' ' 73' ' ' GLY . 9.4 ptpp? 61.29 -44.28 0.13 Allowed 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 125.734 1.614 . . . . 0.0 113.81 178.548 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 21.3 tptm -67.75 -42.89 81.07 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 118.669 0.668 . . . . 0.0 109.483 175.537 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 76' ' ' GLU . . . . . 0.582 ' O ' HG13 ' A' ' 80' ' ' ILE . 20.5 tp10 -59.1 -40.08 84.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.711 -0.677 . . . . 0.0 109.522 174.234 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.532 ' O ' HG12 ' A' ' 81' ' ' ILE . . . -60.85 -39.98 91.16 Favored 'General case' 0 N--CA 1.454 -0.241 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.636 179.762 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 78' ' ' MET . . . . . 0.515 ' HG3' ' O ' ' A' ' 74' ' ' LYS . 90.6 mtp -59.62 -42.24 92.22 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-O 121.023 0.439 . . . . 0.0 110.096 177.932 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 24.7 mt-10 -67.72 -43.15 80.69 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.749 177.843 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.582 HG13 ' O ' ' A' ' 76' ' ' GLU . 78.2 mt -59.42 -46.52 92.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.682 178.257 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.532 HG12 ' O ' ' A' ' 77' ' ' ALA . 41.3 mm -62.29 -40.14 86.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.107 -179.87 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 8.2 ttpm? -64.05 -41.77 97.26 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-O 121.051 0.453 . . . . 0.0 110.102 177.672 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 27.3 mtpp -62.11 -46.8 87.43 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.515 175.25 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 84' ' ' PHE . . . . . 0.493 ' O ' ' HG ' ' A' ' 88' ' ' LEU . 0.8 OUTLIER -56.55 -51.46 68.49 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.216 -0.902 . . . . 0.0 110.8 -178.611 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -61.59 -36.65 81.3 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.244 -179.109 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 86' ' ' LYS . . . . . 0.423 ' NZ ' ' HB3' ' A' ' 86' ' ' LYS . 5.1 ttpm? -63.31 -48.38 78.3 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.338 179.025 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -64.26 -37.82 88.84 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.568 -179.805 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.493 ' HG ' ' O ' ' A' ' 84' ' ' PHE . 91.1 mt -60.46 -45.58 93.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.394 176.356 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -62.12 -43.91 97.8 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.864 179.199 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 90' ' ' ALA . . . . . 0.5 ' O ' HG13 ' A' ' 94' ' ' ILE . . . -63.76 -47.23 81.82 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.176 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 72.7 mtm -66.59 -33.79 76.46 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.011 -178.451 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.464 ' HB2' HG13 ' B' ' 81' ' ' ILE . 55.4 tp -60.73 -45.73 93.14 Favored 'General case' 0 C--O 1.238 0.479 0 CA-C-O 121.505 0.669 . . . . 0.0 110.411 174.882 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 98.2 mtt180 -61.4 -32.22 72.15 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.358 -0.837 . . . . 0.0 110.61 179.101 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 94' ' ' ILE . . . . . 0.5 HG13 ' O ' ' A' ' 90' ' ' ALA . 64.5 mt -68.73 -36.24 73.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.516 -0.311 . . . . 0.0 110.966 177.463 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.598 HD11 ' NE1' ' B' ' 69' ' ' TRP . 19.1 mm -56.37 -48.54 79.7 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.266 0 CA-C-O 121.62 0.724 . . . . 0.0 109.654 175.617 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 9.8 t30 -76.29 -21.31 56.42 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.307 -0.861 . . . . 0.0 111.132 -178.698 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -70.92 -41.85 70.67 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 120.938 0.399 . . . . 0.0 111.015 179.193 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 98' ' ' ARG . . . . . 0.408 ' HG2' ' O ' ' A' ' 94' ' ' ILE . 13.6 ptm180 . . . . . 0 C--N 1.325 -0.491 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.575 -173.024 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 42' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.445 -0.763 0 N-CA-C 111.612 -0.595 . . . . 0.0 111.612 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' B' B ' 43' ' ' PRO . . . . . 0.559 ' HD2' ' SD ' ' B' ' 46' ' ' MET . 48.5 Cg_endo -68.12 176.77 5.06 Favored 'Trans proline' 0 CA--C 1.529 0.258 0 C-N-CA 122.584 2.189 . . . . 0.0 111.663 177.131 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 44' ' ' ILE . . . . . 0.42 ' HB ' HG22 ' B' ' 72' ' ' VAL . 19.6 pt -47.68 -44.67 10.48 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.51 0 N-CA-C 113.908 1.077 . . . . 0.0 113.908 -171.559 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 45' ' ' ARG . . . . . 0.46 ' HA ' HD13 ' B' ' 80' ' ' ILE . 99.8 mtt180 -67.21 -42.1 84.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.083 0.468 . . . . 0.0 110.854 -178.825 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 46' ' ' MET . . . . . 0.572 ' O ' HG13 ' B' ' 50' ' ' ILE . 56.6 mtt -67.92 -27.21 66.43 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.847 176.484 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 47' ' ' VAL . . . . . 0.522 HG23 ' O ' ' B' ' 43' ' ' PRO . 89.5 t -59.57 -49.59 83.12 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.191 0 N-CA-C 110.189 -0.3 . . . . 0.0 110.189 175.83 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 11.2 mp -64.16 -32.35 73.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.085 177.908 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -67.87 -49.04 64.32 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.8 0.333 . . . . 0.0 111.124 176.854 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 50' ' ' ILE . . . . . 0.572 HG13 ' O ' ' B' ' 46' ' ' MET . 57.1 mt -65.88 -31.45 53.79 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-O 121.254 0.549 . . . . 0.0 109.815 177.778 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 15.8 tp -59.26 -53.68 55.46 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.481 -0.781 . . . . 0.0 110.286 174.984 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.69 -38.02 80.4 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-O 121.046 0.451 . . . . 0.0 110.591 178.705 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 53' ' ' PHE . . . . . 0.409 ' HB3' ' O ' ' B' ' 50' ' ' ILE . 86.5 t80 -55.34 -60.85 2.84 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.521 -0.763 . . . . 0.0 109.43 174.514 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 54' ' ' LEU . . . . . 0.519 HD13 ' H ' ' B' ' 62' ' ' SER . 64.5 mt -72.37 -0.33 12.12 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.823 -178.613 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 55' ' ' ARG . . . . . . . . . . . . . 20.7 tpt180 -90.33 -35.55 15.17 Favored 'General case' 0 N--CA 1.426 -1.632 0 CA-C-O 121.121 0.486 . . . . 0.0 110.085 177.013 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 56' ' ' PHE . . . . . . . . . . . . . 57.9 m-85 -110.38 -23.11 11.36 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 112.402 0.519 . . . . 0.0 112.402 -176.554 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 57' ' ' THR . . . . . 0.522 ' HA ' ' HG2' ' A' ' 46' ' ' MET . 34.6 p -96.19 -5.84 39.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.35 0.595 . . . . 0.0 110.679 -179.746 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -141.02 167.35 22.41 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.617 -0.72 . . . . 0.0 110.43 -174.727 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 59' ' ' ILE . . . . . 0.449 HD12 ' N ' ' B' ' 59' ' ' ILE . 4.2 mp -90.39 -25.47 5.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-O 121.781 0.801 . . . . 0.0 110.153 -176.465 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -148.26 124.05 5.23 Favored Pre-proline 0 C--N 1.306 -1.3 0 CA-C-N 114.63 -1.168 . . . . 0.0 110.54 -179.765 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 61' ' ' PRO . . . . . 0.427 ' HB2' HD11 ' B' ' 66' ' ' ILE . 29.7 Cg_exo -62.53 139.38 75.82 Favored 'Trans proline' 0 C--O 1.236 0.395 0 C-N-CA 122.685 2.257 . . . . 0.0 111.799 175.749 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 62' ' ' SER . . . . . 0.519 ' H ' HD13 ' B' ' 54' ' ' LEU . 48.2 t -61.48 138.06 58.26 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.662 -0.699 . . . . 0.0 111.024 -179.024 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 95.7 mt -66.26 -20.13 66.02 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 115.526 -0.761 . . . . 0.0 111.505 -175.232 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -63.6 -45.22 95.14 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.414 -0.898 . . . . 0.0 111.119 174.311 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 65' ' ' LEU . . . . . 0.53 ' O ' ' HB2' ' B' ' 69' ' ' TRP . 4.0 mm? -70.64 -30.15 66.7 Favored 'General case' 0 C--O 1.22 -0.45 0 N-CA-C 110.149 -0.315 . . . . 0.0 110.149 177.166 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 66' ' ' ILE . . . . . 0.427 HD11 ' HB2' ' B' ' 61' ' ' PRO . 47.3 mm -69.82 -31.24 47.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 121.309 0.576 . . . . 0.0 110.57 177.559 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 67' ' ' ASN . . . . . . . . . . . . . 43.4 t30 -70.5 -43.42 69.72 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.281 177.738 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 68' ' ' ARG . . . . . . . . . . . . . 39.3 ttm180 -86.21 -7.1 58.79 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.651 0.739 . . . . 0.0 109.961 -178.233 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 69' ' ' TRP . . . . . 0.598 ' NE1' HD11 ' A' ' 95' ' ' ILE . 7.2 t90 -59.79 -44.62 93.86 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 114.657 -1.156 . . . . 0.0 110.065 177.233 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . -80.62 -10.85 84.72 Favored Glycine 0 N--CA 1.448 -0.501 0 CA-C-N 115.613 -0.721 . . . . 0.0 112.258 178.419 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 71' ' ' SER . . . . . . . . . . . . . 48.0 t -69.53 -17.18 63.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.113 0.482 . . . . 0.0 109.868 179.0 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 72' ' ' VAL . . . . . 0.42 HG22 ' HB ' ' B' ' 44' ' ' ILE . 12.1 t -74.23 135.62 27.05 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.593 0 N-CA-C 108.926 -0.768 . . . . 0.0 108.926 174.27 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 73' ' ' GLY . . . . . 0.573 ' O ' ' HG2' ' B' ' 74' ' ' LYS . . . -72.86 19.49 1.21 Allowed Glycine 0 CA--C 1.523 0.55 0 CA-C-O 119.643 -0.532 . . . . 0.0 114.135 -173.411 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 74' ' ' LYS . . . . . 0.573 ' HG2' ' O ' ' B' ' 73' ' ' GLY . 9.4 ptpp? 61.24 -44.46 0.13 Allowed 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 125.74 1.616 . . . . 0.0 113.8 178.46 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 75' ' ' LYS . . . . . . . . . . . . . 21.4 tptm -67.7 -42.85 81.38 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 118.612 0.642 . . . . 0.0 109.51 175.56 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 76' ' ' GLU . . . . . 0.566 ' O ' HG13 ' B' ' 80' ' ' ILE . 20.9 tp10 -59.18 -40.06 84.48 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.629 -0.714 . . . . 0.0 109.609 174.211 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 77' ' ' ALA . . . . . 0.533 ' O ' HG12 ' B' ' 81' ' ' ILE . . . -60.76 -40.03 90.99 Favored 'General case' 0 N--CA 1.454 -0.226 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.668 179.693 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 78' ' ' MET . . . . . 0.519 ' HG3' ' O ' ' B' ' 74' ' ' LYS . 90.4 mtp -59.57 -42.18 91.87 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-O 121.102 0.477 . . . . 0.0 110.08 178.065 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 79' ' ' GLU . . . . . . . . . . . . . 23.9 mt-10 -67.55 -43.76 79.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.639 -0.71 . . . . 0.0 110.744 177.839 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 80' ' ' ILE . . . . . 0.566 HG13 ' O ' ' B' ' 76' ' ' GLU . 78.6 mt -59.08 -46.55 91.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.679 178.286 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 81' ' ' ILE . . . . . 0.533 HG12 ' O ' ' B' ' 77' ' ' ALA . 41.6 mm -62.19 -40.09 86.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.113 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 82' ' ' LYS . . . . . . . . . . . . . 8.2 ttpm? -64.13 -41.87 97.04 Favored 'General case' 0 C--O 1.235 0.333 0 CA-C-O 120.981 0.42 . . . . 0.0 110.021 177.918 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 83' ' ' LYS . . . . . . . . . . . . . 27.3 mtpp -61.98 -46.93 87.09 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.556 175.187 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 84' ' ' PHE . . . . . 0.498 ' O ' ' HG ' ' B' ' 88' ' ' LEU . 0.8 OUTLIER -56.5 -51.41 68.62 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.252 -0.886 . . . . 0.0 110.807 -178.663 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 85' ' ' LYS . . . . . 0.406 ' HE3' ' CG2' ' B' ' 81' ' ' ILE . 98.9 mttt -61.61 -36.72 81.54 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.223 -179.117 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 86' ' ' LYS . . . . . 0.43 ' NZ ' ' HB3' ' B' ' 86' ' ' LYS . 5.1 ttpm? -63.2 -48.63 77.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.051 0.453 . . . . 0.0 110.385 178.872 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 87' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -63.99 -38.0 89.46 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.705 -0.68 . . . . 0.0 110.577 -179.871 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 88' ' ' LEU . . . . . 0.498 ' HG ' ' O ' ' B' ' 84' ' ' PHE . 91.2 mt -60.47 -45.35 94.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.487 176.389 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 89' ' ' ALA . . . . . 0.4 ' O ' ' HG3' ' B' ' 93' ' ' ARG . . . -62.13 -44.09 97.39 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.868 179.212 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 90' ' ' ALA . . . . . 0.497 ' O ' HG13 ' B' ' 94' ' ' ILE . . . -63.87 -47.17 81.72 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.15 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 91' ' ' MET . . . . . . . . . . . . . 72.8 mtm -66.41 -33.88 76.7 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.12 -178.627 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 92' ' ' LEU . . . . . 0.469 ' HB2' HG13 ' A' ' 81' ' ' ILE . 55.6 tp -60.67 -45.76 92.92 Favored 'General case' 0 C--O 1.238 0.474 0 CA-C-O 121.464 0.65 . . . . 0.0 110.444 174.807 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 93' ' ' ARG . . . . . 0.4 ' HG3' ' O ' ' B' ' 89' ' ' ALA . 98.1 mtt180 -61.34 -32.28 72.17 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.398 -0.819 . . . . 0.0 110.503 179.147 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 94' ' ' ILE . . . . . 0.497 HG13 ' O ' ' B' ' 90' ' ' ALA . 64.2 mt -68.71 -36.33 73.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.595 -0.275 . . . . 0.0 110.921 177.515 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 95' ' ' ILE . . . . . 0.581 HD11 ' NE1' ' A' ' 69' ' ' TRP . 19.0 mm -56.43 -48.55 79.84 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.268 0 CA-C-O 121.549 0.69 . . . . 0.0 109.588 175.648 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 96' ' ' ASN . . . . . . . . . . . . . 9.9 t30 -76.36 -21.18 56.42 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.41 -0.814 . . . . 0.0 111.129 -178.673 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 97' ' ' ALA . . . . . . . . . . . . . . . -70.9 -41.84 70.73 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.098 0.475 . . . . 0.0 111.109 179.063 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 98' ' ' ARG . . . . . 0.4 ' HG2' ' O ' ' B' ' 94' ' ' ILE . 13.6 ptm180 . . . . . 0 C--N 1.325 -0.471 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.604 -173.021 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.592 0 CA-C-O 119.103 -0.832 . . . . 0.0 113.692 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 95.2 Cg_exo -47.79 157.18 1.06 Allowed 'Trans proline' 0 C--N 1.356 0.948 0 C-N-CA 122.709 2.273 . . . . 0.0 113.014 174.056 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.436 HD11 ' OE1' ' A' ' 76' ' ' GLU . 44.5 pt -54.53 -29.43 20.38 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.441 0 CA-C-N 115.184 -0.917 . . . . 0.0 113.075 -168.037 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 59.8 mtp180 -59.44 -48.56 81.17 Favored 'General case' 0 C--O 1.236 0.367 0 CA-C-O 121.436 0.636 . . . . 0.0 110.116 176.285 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' MET . . . . . 0.61 ' O ' HG13 ' A' ' 50' ' ' ILE . 2.1 mpt? -69.83 -31.15 68.87 Favored 'General case' 0 C--O 1.217 -0.607 0 CA-C-N 115.374 -0.83 . . . . 0.0 110.414 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 62.6 t -59.42 -46.03 93.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-O 120.691 0.282 . . . . 0.0 110.74 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 11.1 mp -68.05 -36.28 79.62 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.769 178.253 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -65.97 -47.36 74.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.181 177.482 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.61 HG13 ' O ' ' A' ' 46' ' ' MET . 61.8 mt -66.34 -33.19 61.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 109.913 178.854 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.642 ' O ' ' HG2' ' A' ' 55' ' ' ARG . 10.3 tp -57.6 -55.98 27.79 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.906 -0.588 . . . . 0.0 109.79 174.852 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -55.74 -42.49 75.46 Favored 'General case' 0 C--O 1.232 0.178 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.468 178.865 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 73.0 t80 -53.2 -56.29 17.57 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.128 174.074 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 95.6 mt -73.14 -3.12 24.52 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 112.443 0.534 . . . . 0.0 112.443 -176.768 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.642 ' HG2' ' O ' ' A' ' 51' ' ' LEU . 37.2 mmt180 -96.02 -35.99 11.19 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.697 0.284 . . . . 0.0 110.991 175.387 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 56' ' ' PHE . . . . . 0.407 ' CZ ' ' HA ' ' B' ' 84' ' ' PHE . 86.4 m-85 -104.36 -13.73 16.01 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 111.968 0.359 . . . . 0.0 111.968 -175.799 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 16.7 p -109.61 -6.02 15.49 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.163 0.506 . . . . 0.0 109.997 175.773 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -147.55 -176.88 5.42 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.559 -0.746 . . . . 0.0 109.471 -178.153 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 46.9 mm -118.86 -21.62 4.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-O 121.762 0.791 . . . . 0.0 110.756 179.475 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 54.0 tptt -136.81 108.7 9.15 Favored Pre-proline 0 C--N 1.305 -1.33 0 CA-C-N 115.265 -0.879 . . . . 0.0 110.803 -178.443 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 16.8 Cg_exo -68.39 148.48 73.67 Favored 'Trans proline' 0 N--CA 1.462 -0.33 0 C-N-CA 122.67 2.247 . . . . 0.0 111.687 176.054 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 5.7 m -66.56 141.38 57.87 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.546 179.444 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 95.3 mt -62.8 -18.98 63.59 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.538 -0.756 . . . . 0.0 112.341 -173.573 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -63.48 -48.35 79.02 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.559 -0.829 . . . . 0.0 111.477 174.457 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -65.47 -40.41 93.13 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 109.811 -0.44 . . . . 0.0 109.811 177.93 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 49.5 mm -64.08 -37.75 80.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.852 179.434 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 48.1 t30 -61.42 -43.05 99.55 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.688 178.671 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 34.2 ttm180 -83.42 -22.43 32.69 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.993 0.425 . . . . 0.0 110.451 -178.936 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 69' ' ' TRP . . . . . 0.726 ' NE1' HD11 ' B' ' 95' ' ' ILE . 17.6 t90 -56.08 -51.92 66.16 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.487 -0.778 . . . . 0.0 110.658 178.221 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -75.13 -0.54 61.27 Favored Glycine 0 CA--C 1.52 0.364 0 C-N-CA 120.813 -0.708 . . . . 0.0 112.489 179.325 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 30.5 t -99.98 -16.49 17.93 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.686 0.279 . . . . 0.0 110.249 179.329 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 60.7 t -60.78 133.35 26.46 Favored 'Isoleucine or valine' 0 C--O 1.235 0.33 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.567 178.087 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -62.36 119.91 19.69 Favored Glycine 0 N--CA 1.443 -0.879 0 N-CA-C 111.336 -0.705 . . . . 0.0 111.336 177.188 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.543 ' HE2' ' HA ' ' B' ' 96' ' ' ASN . 10.9 ptmm? -58.74 -24.75 62.11 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 112.109 0.411 . . . . 0.0 112.109 -175.506 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 50.6 tptt -70.23 -57.4 4.94 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.19 0.519 . . . . 0.0 110.251 175.248 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 76' ' ' GLU . . . . . 0.475 ' O ' HG13 ' A' ' 80' ' ' ILE . 12.6 tt0 -67.48 -30.89 70.7 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.75 -177.429 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.535 ' O ' HG12 ' A' ' 81' ' ' ILE . . . -54.92 -44.46 74.24 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 109.994 -0.372 . . . . 0.0 109.994 174.945 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 78' ' ' MET . . . . . 0.683 ' O ' ' HG2' ' A' ' 82' ' ' LYS . 62.1 mtt -64.38 -40.61 96.16 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.36 178.654 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -63.73 -42.06 97.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.905 178.721 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.475 HG13 ' O ' ' A' ' 76' ' ' GLU . 89.6 mt -62.44 -46.27 96.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.197 177.221 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.535 HG12 ' O ' ' A' ' 77' ' ' ALA . 42.7 mm -61.16 -36.33 71.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.224 179.843 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 82' ' ' LYS . . . . . 0.683 ' HG2' ' O ' ' A' ' 78' ' ' MET . 46.8 mmtm -58.02 -49.87 75.37 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-O 121.113 0.482 . . . . 0.0 110.067 175.642 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 59.4 mttp -66.01 -41.66 90.72 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.505 -179.527 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 84' ' ' PHE . . . . . 0.474 ' O ' ' HG ' ' A' ' 88' ' ' LEU . 1.3 t80 -56.73 -51.46 68.76 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.569 -178.484 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -63.63 -34.31 77.54 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.376 -179.773 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 86' ' ' LYS . . . . . 0.403 ' HG3' ' O ' ' A' ' 82' ' ' LYS . 62.6 mttp -68.83 -42.91 76.53 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.656 -0.247 . . . . 0.0 111.269 178.76 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 87' ' ' ASP . . . . . 0.593 ' O ' ' HG2' ' A' ' 91' ' ' MET . 1.3 m-20 -64.44 -40.77 96.36 Favored 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 110.253 -0.277 . . . . 0.0 110.253 177.594 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.474 ' HG ' ' O ' ' A' ' 84' ' ' PHE . 93.1 mt -58.45 -43.82 88.96 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.973 0.416 . . . . 0.0 110.327 176.631 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 89' ' ' ALA . . . . . 0.49 ' O ' ' HG3' ' A' ' 93' ' ' ARG . . . -61.12 -44.54 97.18 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.661 -0.7 . . . . 0.0 110.881 179.552 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 90' ' ' ALA . . . . . 0.434 ' O ' HG13 ' A' ' 94' ' ' ILE . . . -62.37 -46.42 88.71 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.838 179.7 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 91' ' ' MET . . . . . 0.593 ' HG2' ' O ' ' A' ' 87' ' ' ASP . 23.6 mmt -62.81 -40.43 97.33 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.479 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 51.7 tp -59.82 -43.81 94.34 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.768 178.606 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 93' ' ' ARG . . . . . 0.49 ' HG3' ' O ' ' A' ' 89' ' ' ALA . 73.2 mtt180 -61.93 -34.38 75.99 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.987 -0.552 . . . . 0.0 110.43 178.37 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 94' ' ' ILE . . . . . 0.567 ' O ' ' HG2' ' A' ' 98' ' ' ARG . 79.9 mt -69.61 -43.94 79.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.855 177.913 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.724 HD11 ' NE1' ' B' ' 69' ' ' TRP . 30.4 mm -56.84 -41.76 76.6 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.437 0 CA-C-O 121.504 0.669 . . . . 0.0 109.914 176.507 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 96' ' ' ASN . . . . . 0.533 ' HA ' ' HE2' ' B' ' 74' ' ' LYS . 7.2 t30 -65.29 -36.75 85.04 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 114.946 -1.024 . . . . 0.0 110.628 178.719 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -75.24 -24.64 57.69 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.775 -0.648 . . . . 0.0 111.293 -179.262 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 98' ' ' ARG . . . . . 0.584 ' HA ' ' NE ' ' A' ' 98' ' ' ARG . 2.8 mmp_? . . . . . 0 C--N 1.328 -0.336 0 N-CA-C 112.077 0.399 . . . . 0.0 112.077 -174.923 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 42' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.61 0 CA-C-O 119.06 -0.855 . . . . 0.0 113.651 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' B' B ' 43' ' ' PRO . . . . . . . . . . . . . 92.7 Cg_exo -47.74 157.43 0.97 Allowed 'Trans proline' 0 C--N 1.356 0.925 0 C-N-CA 122.816 2.344 . . . . 0.0 112.894 174.275 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 44' ' ' ILE . . . . . 0.466 HD11 ' OE1' ' B' ' 76' ' ' GLU . 44.3 pt -54.72 -29.24 20.78 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.451 0 CA-C-N 115.159 -0.928 . . . . 0.0 113.139 -167.968 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 59.8 mtp180 -59.59 -48.67 80.74 Favored 'General case' 0 C--O 1.236 0.37 0 CA-C-O 121.406 0.622 . . . . 0.0 110.151 176.324 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 46' ' ' MET . . . . . 0.611 ' O ' HG13 ' B' ' 50' ' ' ILE . 2.0 mpt? -69.58 -31.38 69.5 Favored 'General case' 0 C--O 1.218 -0.586 0 CA-C-N 115.35 -0.841 . . . . 0.0 110.435 179.859 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 47' ' ' VAL . . . . . . . . . . . . . 59.8 t -59.19 -46.18 92.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-O 120.712 0.291 . . . . 0.0 110.875 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 11.1 mp -67.96 -36.29 79.82 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.804 178.266 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -65.88 -47.35 75.13 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.221 177.398 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 50' ' ' ILE . . . . . 0.611 HG13 ' O ' ' B' ' 46' ' ' MET . 61.9 mt -66.5 -33.05 60.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.126 -0.488 . . . . 0.0 109.988 178.761 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 51' ' ' LEU . . . . . 0.657 ' O ' ' HG2' ' B' ' 55' ' ' ARG . 10.3 tp -57.68 -55.83 29.82 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.041 -0.527 . . . . 0.0 109.845 174.761 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -55.76 -42.59 75.7 Favored 'General case' 0 C--O 1.232 0.182 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.485 178.833 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 53' ' ' PHE . . . . . . . . . . . . . 72.2 t80 -53.25 -56.24 18.12 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.564 -0.744 . . . . 0.0 110.056 174.148 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 54' ' ' LEU . . . . . . . . . . . . . 95.6 mt -73.11 -3.27 25.35 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 112.451 0.537 . . . . 0.0 112.451 -176.855 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 55' ' ' ARG . . . . . 0.657 ' HG2' ' O ' ' B' ' 51' ' ' LEU . 37.0 mmt180 -95.93 -36.12 11.2 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.802 0.334 . . . . 0.0 110.957 175.363 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 56' ' ' PHE . . . . . 0.4 ' CZ ' ' HA ' ' A' ' 84' ' ' PHE . 86.1 m-85 -104.06 -13.84 16.13 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 111.943 0.349 . . . . 0.0 111.943 -175.709 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 57' ' ' THR . . . . . . . . . . . . . 16.9 p -109.58 -6.05 15.5 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.094 0.473 . . . . 0.0 110.074 175.845 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -147.56 -176.69 5.35 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.539 -0.755 . . . . 0.0 109.422 -178.131 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 59' ' ' ILE . . . . . . . . . . . . . 46.8 mm -119.06 -21.58 4.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-O 121.862 0.839 . . . . 0.0 110.885 179.661 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 53.9 tptt -137.05 108.68 8.96 Favored Pre-proline 0 C--N 1.306 -1.303 0 CA-C-N 115.056 -0.974 . . . . 0.0 110.797 -178.515 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 61' ' ' PRO . . . . . . . . . . . . . 16.6 Cg_exo -68.58 147.74 70.98 Favored 'Trans proline' 0 N--CA 1.463 -0.297 0 C-N-CA 122.85 2.366 . . . . 0.0 111.803 175.947 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 6.6 m -65.9 141.79 58.12 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.465 179.725 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 95.7 mt -63.34 -18.91 64.15 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.519 -0.764 . . . . 0.0 112.236 -173.548 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -63.31 -48.48 78.63 Favored Glycine 0 C--O 1.237 0.326 0 C-N-CA 120.537 -0.839 . . . . 0.0 111.442 174.281 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -65.37 -40.42 93.51 Favored 'General case' 0 C--O 1.222 -0.347 0 N-CA-C 109.928 -0.397 . . . . 0.0 109.928 177.978 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 66' ' ' ILE . . . . . . . . . . . . . 49.5 mm -64.11 -37.47 79.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.9 179.391 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 67' ' ' ASN . . . . . . . . . . . . . 48.0 t30 -61.57 -42.97 99.62 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.71 178.748 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 68' ' ' ARG . . . . . . . . . . . . . 34.2 ttm180 -83.58 -22.42 32.33 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.453 -178.836 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 69' ' ' TRP . . . . . 0.724 ' NE1' HD11 ' A' ' 95' ' ' ILE . 17.8 t90 -56.17 -51.78 66.74 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.488 -0.778 . . . . 0.0 110.631 178.19 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . -75.53 0.07 61.55 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.897 -0.668 . . . . 0.0 112.436 179.263 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 71' ' ' SER . . . . . . . . . . . . . 28.0 t -100.7 -16.09 17.49 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 110.247 -0.279 . . . . 0.0 110.247 179.132 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 72' ' ' VAL . . . . . . . . . . . . . 61.5 t -61.15 133.33 26.9 Favored 'Isoleucine or valine' 0 C--O 1.235 0.297 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.586 177.965 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 73' ' ' GLY . . . . . . . . . . . . . . . -62.21 119.55 18.34 Favored Glycine 0 N--CA 1.444 -0.824 0 N-CA-C 111.404 -0.678 . . . . 0.0 111.404 177.112 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 74' ' ' LYS . . . . . 0.533 ' HE2' ' HA ' ' A' ' 96' ' ' ASN . 10.9 ptmm? -58.28 -25.14 61.45 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 112.216 0.45 . . . . 0.0 112.216 -175.531 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 75' ' ' LYS . . . . . . . . . . . . . 50.9 tptt -69.7 -57.6 4.94 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.187 0.517 . . . . 0.0 110.314 175.181 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 76' ' ' GLU . . . . . 0.482 ' O ' HG13 ' B' ' 80' ' ' ILE . 13.3 tt0 -67.69 -30.53 70.07 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.723 -0.671 . . . . 0.0 110.754 -177.202 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 77' ' ' ALA . . . . . 0.526 ' O ' HG12 ' B' ' 81' ' ' ILE . . . -54.98 -44.78 74.74 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.88 0.372 . . . . 0.0 110.0 174.687 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 78' ' ' MET . . . . . 0.667 ' O ' ' HG2' ' B' ' 82' ' ' LYS . 62.5 mtt -64.05 -40.77 97.02 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.33 178.583 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 79' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -63.79 -41.79 97.87 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.953 178.93 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 80' ' ' ILE . . . . . 0.482 HG13 ' O ' ' B' ' 76' ' ' GLU . 89.9 mt -62.64 -45.97 97.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.22 177.259 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 81' ' ' ILE . . . . . 0.526 HG12 ' O ' ' B' ' 77' ' ' ALA . 42.3 mm -61.44 -36.36 72.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 115.907 -0.588 . . . . 0.0 111.145 179.894 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 82' ' ' LYS . . . . . 0.667 ' HG2' ' O ' ' B' ' 78' ' ' MET . 46.7 mmtm -57.92 -49.91 75.15 Favored 'General case' 0 C--O 1.232 0.152 0 CA-C-O 121.095 0.474 . . . . 0.0 110.101 175.567 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 83' ' ' LYS . . . . . . . . . . . . . 59.4 mttp -66.12 -41.44 90.51 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.551 -0.75 . . . . 0.0 110.628 -179.516 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 84' ' ' PHE . . . . . 0.479 ' O ' ' HG ' ' B' ' 88' ' ' LEU . 1.3 t80 -56.93 -51.37 69.42 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.582 -178.656 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 85' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -63.66 -34.45 77.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.291 -179.748 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 86' ' ' LYS . . . . . . . . . . . . . 62.5 mttp -68.78 -43.0 76.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.565 -0.289 . . . . 0.0 111.303 178.902 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 87' ' ' ASP . . . . . 0.592 ' O ' ' HG2' ' B' ' 91' ' ' MET . 1.2 m-20 -64.26 -40.76 96.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.597 0.237 . . . . 0.0 110.452 177.436 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 88' ' ' LEU . . . . . 0.479 ' HG ' ' O ' ' B' ' 84' ' ' PHE . 92.9 mt -58.36 -43.81 88.54 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 121.004 0.43 . . . . 0.0 110.302 176.557 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 89' ' ' ALA . . . . . 0.485 ' O ' ' HG3' ' B' ' 93' ' ' ARG . . . -61.13 -44.84 96.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.907 179.58 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 90' ' ' ALA . . . . . 0.444 ' O ' HG13 ' B' ' 94' ' ' ILE . . . -62.11 -46.32 89.59 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.912 179.611 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 91' ' ' MET . . . . . 0.592 ' HG2' ' O ' ' B' ' 87' ' ' ASP . 23.6 mmt -62.83 -40.43 97.41 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.496 179.894 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 92' ' ' LEU . . . . . . . . . . . . . 51.7 tp -59.83 -43.72 94.44 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.803 178.496 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 93' ' ' ARG . . . . . 0.485 ' HG3' ' O ' ' B' ' 89' ' ' ALA . 73.3 mtt180 -62.1 -34.08 75.65 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.481 178.436 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 94' ' ' ILE . . . . . 0.563 ' O ' ' HG2' ' B' ' 98' ' ' ARG . 80.2 mt -69.96 -43.76 79.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.863 177.96 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 95' ' ' ILE . . . . . 0.726 HD11 ' NE1' ' A' ' 69' ' ' TRP . 30.4 mm -57.01 -41.64 77.76 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.412 0 CA-C-O 121.443 0.639 . . . . 0.0 109.875 176.478 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 96' ' ' ASN . . . . . 0.543 ' HA ' ' HE2' ' A' ' 74' ' ' LYS . 7.6 t30 -65.27 -36.95 85.7 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 114.967 -1.015 . . . . 0.0 110.529 178.736 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 97' ' ' ALA . . . . . . . . . . . . . . . -75.21 -24.46 57.76 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.815 -0.629 . . . . 0.0 111.418 -179.177 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 98' ' ' ARG . . . . . 0.583 ' NE ' ' HA ' ' B' ' 98' ' ' ARG . 2.8 mmp_? . . . . . 0 C--N 1.331 -0.235 0 N-CA-C 112.168 0.433 . . . . 0.0 112.168 -175.014 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.444 -0.769 0 CA-C-O 119.919 -0.379 . . . . 0.0 112.23 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.472 ' HD2' ' SD ' ' A' ' 46' ' ' MET . 32.5 Cg_exo -59.91 170.36 3.78 Favored 'Trans proline' 0 C--N 1.344 0.341 0 C-N-CA 122.925 2.417 . . . . 0.0 111.467 173.75 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 20.7 pt -49.49 -41.44 15.69 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.511 0 N-CA-C 113.075 0.768 . . . . 0.0 113.075 -172.069 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' ARG . . . . . 0.539 ' HA ' HD13 ' A' ' 80' ' ' ILE . 97.9 mtt180 -62.26 -42.77 99.63 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 121.193 0.521 . . . . 0.0 110.765 178.375 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 46' ' ' MET . . . . . 0.565 ' O ' HG13 ' A' ' 50' ' ' ILE . 61.6 mtt -76.88 -20.85 55.78 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.012 179.375 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.448 HG23 ' O ' ' A' ' 43' ' ' PRO . 80.0 t -60.01 -48.76 86.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 N-CA-C 109.644 -0.502 . . . . 0.0 109.644 173.531 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 11.0 mp -65.59 -35.81 81.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.632 176.345 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -62.27 -50.77 70.37 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.86 0.362 . . . . 0.0 111.17 177.149 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.565 HG13 ' O ' ' A' ' 46' ' ' MET . 61.5 mt -66.51 -33.16 61.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-O 121.181 0.515 . . . . 0.0 110.151 178.388 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.547 ' O ' ' HG2' ' A' ' 55' ' ' ARG . 10.3 tp -61.9 -52.99 61.84 Favored 'General case' 0 N--CA 1.45 -0.427 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.188 178.678 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -56.41 -40.37 74.59 Favored 'General case' 0 CA--C 1.517 -0.318 0 O-C-N 123.298 0.374 . . . . 0.0 110.761 179.086 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.495 ' HB3' ' O ' ' A' ' 50' ' ' ILE . 55.2 t80 -50.69 -59.57 3.94 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.522 -0.763 . . . . 0.0 109.447 173.359 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.534 HD13 ' H ' ' A' ' 62' ' ' SER . 85.1 mt -65.86 -23.87 66.75 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.002 -0.545 . . . . 0.0 112.03 -178.04 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.547 ' HG2' ' O ' ' A' ' 51' ' ' LEU . 27.3 mmm180 -70.07 -38.39 75.73 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.971 0.415 . . . . 0.0 111.423 179.265 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 56' ' ' PHE . . . . . 0.461 ' CZ ' ' HA ' ' B' ' 84' ' ' PHE . 65.7 m-85 -107.26 -7.66 16.67 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.171 -0.468 . . . . 0.0 112.125 -175.251 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 74.2 p -102.49 -21.06 14.28 Favored 'General case' 0 C--N 1.326 -0.43 0 C-N-CA 120.335 -0.546 . . . . 0.0 110.972 173.888 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -138.3 174.9 10.07 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 116.26 -0.427 . . . . 0.0 109.894 -178.508 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 11.0 tp -106.04 6.76 10.01 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-O 121.779 0.8 . . . . 0.0 110.219 179.326 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 85.4 tttt -155.58 116.2 2.29 Favored Pre-proline 0 C--N 1.323 -0.586 0 CA-C-N 115.163 -0.926 . . . . 0.0 110.905 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 8.0 Cg_exo -72.69 143.31 37.41 Favored 'Trans proline' 0 N--CA 1.46 -0.471 0 C-N-CA 122.682 2.255 . . . . 0.0 111.014 171.87 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 62' ' ' SER . . . . . 0.534 ' H ' HD13 ' A' ' 54' ' ' LEU . 4.7 m -64.45 141.31 58.82 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.125 0.488 . . . . 0.0 110.873 -178.05 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 88.2 mt -60.52 -26.67 67.04 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.142 -0.936 . . . . 0.0 112.227 -172.401 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -62.75 -47.89 85.5 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.831 -0.7 . . . . 0.0 111.627 176.531 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -63.13 -42.79 99.57 Favored 'General case' 0 C--O 1.221 -0.423 0 N-CA-C 110.013 -0.366 . . . . 0.0 110.013 177.333 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 37.3 mm -58.41 -41.88 82.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 121.144 0.497 . . . . 0.0 111.132 178.904 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 28.1 t-20 -63.9 -40.27 96.12 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.09 -179.043 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 64.6 ttt180 -83.08 -23.14 33.24 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.237 0.541 . . . . 0.0 110.296 -178.983 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 69' ' ' TRP . . . . . 0.63 ' NE1' HD11 ' B' ' 95' ' ' ILE . 25.1 t90 -60.83 -47.07 88.02 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.26 -0.882 . . . . 0.0 110.522 178.121 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -72.12 -6.17 63.95 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.879 -0.677 . . . . 0.0 112.344 176.988 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 40.1 t -95.09 -10.66 30.06 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.794 0.33 . . . . 0.0 110.121 178.707 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 77.0 t -69.84 130.71 34.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.432 179.062 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -64.72 127.79 34.23 Favored Glycine 0 N--CA 1.448 -0.527 0 N-CA-C 110.551 -1.019 . . . . 0.0 110.551 174.136 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.449 ' O ' ' HG3' ' A' ' 78' ' ' MET . 6.9 ptpp? -68.4 -20.85 64.7 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 117.062 0.431 . . . . 0.0 111.154 -172.189 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 56.8 tptt -64.09 -49.99 70.07 Favored 'General case' 0 C--O 1.236 0.373 0 N-CA-C 109.471 -0.566 . . . . 0.0 109.471 173.421 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 76' ' ' GLU . . . . . 0.491 ' O ' HG13 ' A' ' 80' ' ' ILE . 22.5 tp10 -62.91 -44.08 97.05 Favored 'General case' 0 N--CA 1.453 -0.324 0 CA-C-N 115.55 -0.75 . . . . 0.0 109.537 176.852 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.523 ' O ' HG12 ' A' ' 81' ' ' ILE . . . -53.9 -46.04 71.28 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.793 -0.639 . . . . 0.0 111.096 178.708 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 78' ' ' MET . . . . . 0.449 ' HG3' ' O ' ' A' ' 74' ' ' LYS . 66.5 mtt -59.34 -41.88 90.21 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.799 178.367 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -68.77 -37.05 79.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.753 179.566 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.539 HD13 ' HA ' ' A' ' 45' ' ' ARG . 86.6 mt -64.34 -51.43 68.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.516 177.189 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.523 HG12 ' O ' ' A' ' 77' ' ' ALA . 49.2 mm -59.42 -38.08 73.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.661 -179.76 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 62.5 tttp -59.58 -49.33 78.2 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.379 177.167 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 62.2 mttp -68.49 -36.3 78.73 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.934 179.493 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 84' ' ' PHE . . . . . 0.526 ' O ' ' HG ' ' A' ' 88' ' ' LEU . 0.3 OUTLIER -61.26 -53.66 54.03 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.394 -179.469 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 96.7 mttt -62.84 -33.78 75.97 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.977 -179.913 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 56.2 tttp -66.0 -45.27 82.18 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.483 178.144 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -66.49 -37.38 84.96 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.121 -178.934 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.526 ' HG ' ' O ' ' A' ' 84' ' ' PHE . 96.7 mt -64.63 -37.33 87.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.945 178.094 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -63.43 -44.31 94.94 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.952 0.406 . . . . 0.0 110.457 178.034 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 90' ' ' ALA . . . . . 0.505 ' O ' HG13 ' A' ' 94' ' ' ILE . . . -64.94 -43.23 93.4 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.135 176.505 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 91' ' ' MET . . . . . 0.499 ' O ' HG12 ' A' ' 95' ' ' ILE . 41.7 ttm -54.04 -48.44 70.54 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.257 -0.883 . . . . 0.0 110.53 178.163 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.427 ' HB2' HG13 ' B' ' 81' ' ' ILE . 50.1 tp -59.67 -44.1 93.72 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.38 -0.827 . . . . 0.0 111.281 179.694 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 83.9 mtp180 -61.5 -35.18 76.97 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.147 -179.048 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 94' ' ' ILE . . . . . 0.575 ' O ' ' HG2' ' A' ' 98' ' ' ARG . 48.2 mt -75.9 -33.09 24.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 116.471 -0.331 . . . . 0.0 111.043 -179.308 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.623 HD11 ' NE1' ' B' ' 69' ' ' TRP . 13.6 mm -56.14 -44.4 78.83 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.317 0 CA-C-O 121.482 0.658 . . . . 0.0 109.295 173.788 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 28.3 t30 -63.18 -44.32 95.74 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 114.94 -1.027 . . . . 0.0 110.414 175.853 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -62.76 -24.78 67.88 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.969 -176.888 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 98' ' ' ARG . . . . . 0.575 ' HG2' ' O ' ' A' ' 94' ' ' ILE . 17.1 mmt180 . . . . . 0 C--N 1.33 -0.262 0 CA-C-N 116.495 -0.321 . . . . 0.0 111.143 -179.262 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 42' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.443 -0.847 0 N-CA-C 112.144 -0.383 . . . . 0.0 112.144 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' B' B ' 43' ' ' PRO . . . . . 0.47 ' HD2' ' SD ' ' B' ' 46' ' ' MET . 32.6 Cg_exo -59.88 170.42 3.69 Favored 'Trans proline' 0 C--N 1.344 0.329 0 C-N-CA 122.803 2.335 . . . . 0.0 111.517 173.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 20.7 pt -49.29 -41.44 14.81 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.575 0 N-CA-C 113.181 0.808 . . . . 0.0 113.181 -172.112 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 45' ' ' ARG . . . . . 0.531 ' HA ' HD13 ' B' ' 80' ' ' ILE . 98.1 mtt180 -62.48 -42.65 99.64 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 121.218 0.532 . . . . 0.0 110.684 178.524 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 46' ' ' MET . . . . . 0.567 ' O ' HG13 ' B' ' 50' ' ' ILE . 62.1 mtt -76.97 -20.94 55.49 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.907 -0.588 . . . . 0.0 111.011 179.396 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 47' ' ' VAL . . . . . 0.45 HG23 ' O ' ' B' ' 43' ' ' PRO . 77.8 t -59.9 -48.68 86.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 N-CA-C 109.685 -0.487 . . . . 0.0 109.685 173.527 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 11.0 mp -65.64 -35.81 81.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.676 176.225 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -62.26 -50.74 70.52 Favored 'General case' 0 CA--C 1.532 0.252 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.247 177.043 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 50' ' ' ILE . . . . . 0.567 HG13 ' O ' ' B' ' 46' ' ' MET . 61.5 mt -66.6 -33.26 62.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 121.123 0.487 . . . . 0.0 110.13 178.362 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 51' ' ' LEU . . . . . 0.557 ' O ' ' HG2' ' B' ' 55' ' ' ARG . 10.4 tp -61.68 -53.15 60.04 Favored 'General case' 0 N--CA 1.451 -0.412 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.186 178.53 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -56.46 -40.22 74.47 Favored 'General case' 0 N--CA 1.465 0.316 0 O-C-N 123.318 0.386 . . . . 0.0 110.753 179.151 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 53' ' ' PHE . . . . . 0.491 ' HB3' ' O ' ' B' ' 50' ' ' ILE . 55.7 t80 -50.85 -59.57 3.98 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.562 -0.744 . . . . 0.0 109.476 173.349 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 54' ' ' LEU . . . . . 0.529 HD13 ' H ' ' B' ' 62' ' ' SER . 84.9 mt -65.8 -23.87 66.8 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.029 -0.532 . . . . 0.0 112.059 -178.179 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 55' ' ' ARG . . . . . 0.557 ' HG2' ' O ' ' B' ' 51' ' ' LEU . 27.3 mmm180 -69.86 -38.76 76.55 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.886 0.374 . . . . 0.0 111.31 179.276 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 56' ' ' PHE . . . . . 0.453 ' CZ ' ' HA ' ' A' ' 84' ' ' PHE . 65.2 m-85 -107.05 -7.95 16.72 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 116.278 -0.419 . . . . 0.0 112.093 -175.088 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 57' ' ' THR . . . . . . . . . . . . . 74.1 p -102.21 -20.64 14.6 Favored 'General case' 0 C--N 1.327 -0.378 0 C-N-CA 120.285 -0.566 . . . . 0.0 111.037 173.99 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -138.75 174.82 10.12 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.052 -178.655 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 59' ' ' ILE . . . . . . . . . . . . . 10.9 tp -106.09 7.2 9.93 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-O 121.941 0.877 . . . . 0.0 110.328 179.332 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 85.6 tttt -155.92 116.43 2.23 Favored Pre-proline 0 C--N 1.321 -0.659 0 CA-C-N 115.024 -0.989 . . . . 0.0 110.939 179.667 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 61' ' ' PRO . . . . . . . . . . . . . 7.9 Cg_exo -72.97 143.2 36.05 Favored 'Trans proline' 0 N--CA 1.458 -0.563 0 C-N-CA 122.647 2.232 . . . . 0.0 110.977 171.73 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 62' ' ' SER . . . . . 0.529 ' H ' HD13 ' B' ' 54' ' ' LEU . 4.9 m -64.45 141.49 58.75 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.165 0.507 . . . . 0.0 110.881 -177.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 88.3 mt -60.53 -26.94 67.26 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.158 -0.928 . . . . 0.0 112.246 -172.458 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -62.39 -48.1 84.72 Favored Glycine 0 C--O 1.237 0.318 0 C-N-CA 120.644 -0.788 . . . . 0.0 111.696 176.451 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -62.89 -43.11 99.69 Favored 'General case' 0 C--O 1.22 -0.486 0 N-CA-C 109.961 -0.385 . . . . 0.0 109.961 177.401 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 66' ' ' ILE . . . . . . . . . . . . . 37.4 mm -58.15 -41.79 81.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.167 178.963 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 67' ' ' ASN . . . . . . . . . . . . . 28.3 t-20 -64.06 -39.81 94.9 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.176 -178.973 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 68' ' ' ARG . . . . . . . . . . . . . 64.3 ttt180 -83.52 -23.2 32.19 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.223 0.535 . . . . 0.0 110.287 -179.095 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 69' ' ' TRP . . . . . 0.623 ' NE1' HD11 ' A' ' 95' ' ' ILE . 25.1 t90 -60.74 -47.18 87.44 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.276 -0.875 . . . . 0.0 110.579 178.162 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . -71.9 -6.33 63.49 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.938 -0.649 . . . . 0.0 112.32 176.956 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 71' ' ' SER . . . . . . . . . . . . . 38.1 t -94.95 -10.62 30.52 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.845 0.355 . . . . 0.0 110.108 178.708 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 72' ' ' VAL . . . . . . . . . . . . . 81.0 t -69.94 130.42 34.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.479 179.285 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 73' ' ' GLY . . . . . . . . . . . . . . . -64.33 127.48 34.91 Favored Glycine 0 N--CA 1.448 -0.56 0 N-CA-C 110.52 -1.032 . . . . 0.0 110.52 174.167 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 74' ' ' LYS . . . . . 0.463 ' O ' ' HG3' ' B' ' 78' ' ' MET . 7.0 ptpp? -68.25 -20.68 64.82 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 117.116 0.458 . . . . 0.0 111.253 -172.246 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 75' ' ' LYS . . . . . . . . . . . . . 56.6 tptt -64.42 -50.0 69.3 Favored 'General case' 0 C--O 1.235 0.297 0 N-CA-C 109.381 -0.6 . . . . 0.0 109.381 173.415 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 76' ' ' GLU . . . . . 0.492 ' O ' HG13 ' B' ' 80' ' ' ILE . 22.3 tp10 -62.76 -44.15 96.94 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.524 -0.762 . . . . 0.0 109.532 176.744 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 77' ' ' ALA . . . . . 0.512 ' O ' HG12 ' B' ' 81' ' ' ILE . . . -53.82 -46.06 71.01 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.867 -0.606 . . . . 0.0 111.144 178.646 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 78' ' ' MET . . . . . 0.463 ' HG3' ' O ' ' B' ' 74' ' ' LYS . 66.8 mtt -59.23 -42.15 90.35 Favored 'General case' 0 C--O 1.233 0.205 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.748 178.34 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 79' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -68.62 -37.05 79.43 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.769 179.645 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 80' ' ' ILE . . . . . 0.531 HD13 ' HA ' ' B' ' 45' ' ' ARG . 86.4 mt -64.34 -51.47 67.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.627 177.088 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 81' ' ' ILE . . . . . 0.512 HG12 ' O ' ' B' ' 77' ' ' ALA . 49.3 mm -59.34 -38.18 73.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.751 -179.875 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 82' ' ' LYS . . . . . . . . . . . . . 62.3 tttp -59.44 -49.17 78.82 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.89 -0.596 . . . . 0.0 110.464 177.143 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 83' ' ' LYS . . . . . . . . . . . . . 61.9 mttp -68.66 -36.22 78.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.826 -0.624 . . . . 0.0 110.896 179.57 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 84' ' ' PHE . . . . . 0.533 ' O ' ' HG ' ' B' ' 88' ' ' LEU . 0.3 OUTLIER -61.43 -53.53 55.29 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.782 -0.644 . . . . 0.0 110.357 -179.526 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 85' ' ' LYS . . . . . . . . . . . . . 96.7 mttt -63.17 -33.46 75.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.918 -179.852 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 86' ' ' LYS . . . . . . . . . . . . . 56.1 tttp -66.17 -45.23 81.61 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.532 178.102 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 87' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -66.45 -37.54 85.38 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.122 -179.07 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 88' ' ' LEU . . . . . 0.533 ' HG ' ' O ' ' B' ' 84' ' ' PHE . 96.8 mt -64.51 -37.45 87.59 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.979 178.044 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -63.18 -44.06 96.46 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.999 0.428 . . . . 0.0 110.442 178.057 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 90' ' ' ALA . . . . . 0.512 ' O ' HG13 ' B' ' 94' ' ' ILE . . . -65.31 -43.28 91.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.139 176.665 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 91' ' ' MET . . . . . 0.503 ' O ' HG12 ' B' ' 95' ' ' ILE . 41.6 ttm -54.01 -48.45 70.45 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.179 -0.919 . . . . 0.0 110.496 178.152 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 92' ' ' LEU . . . . . 0.438 ' HB2' HG13 ' A' ' 81' ' ' ILE . 50.7 tp -59.76 -44.07 94.03 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.418 -0.81 . . . . 0.0 111.261 179.75 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 93' ' ' ARG . . . . . . . . . . . . . 83.8 mtp180 -61.87 -34.41 75.96 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.24 -178.941 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 94' ' ' ILE . . . . . 0.583 ' O ' ' HG2' ' B' ' 98' ' ' ARG . 48.6 mt -76.56 -32.8 21.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-N 116.491 -0.322 . . . . 0.0 111.022 -179.538 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 95' ' ' ILE . . . . . 0.63 HD11 ' NE1' ' A' ' 69' ' ' TRP . 13.7 mm -56.28 -44.9 80.82 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.309 0 N-CA-C 109.201 -0.666 . . . . 0.0 109.201 173.652 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 96' ' ' ASN . . . . . 0.423 ' OD1' ' HE2' ' A' ' 74' ' ' LYS . 28.9 t30 -62.7 -44.65 95.69 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.013 -0.994 . . . . 0.0 110.324 175.885 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 97' ' ' ALA . . . . . . . . . . . . . . . -62.18 -25.14 67.6 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.093 -0.503 . . . . 0.0 112.052 -176.954 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 98' ' ' ARG . . . . . 0.583 ' HG2' ' O ' ' B' ' 94' ' ' ILE . 16.7 mmt180 . . . . . 0 C--N 1.33 -0.257 0 CA-C-O 120.776 0.322 . . . . 0.0 111.161 -179.125 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.443 -0.835 0 N-CA-C 112.025 -0.43 . . . . 0.0 112.025 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.467 ' O ' HG23 ' A' ' 47' ' ' VAL . 22.5 Cg_exo -65.0 171.72 8.37 Favored 'Trans proline' 0 N--CA 1.462 -0.338 0 C-N-CA 122.387 2.058 . . . . 0.0 111.429 174.912 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.474 ' HB ' HG13 ' A' ' 72' ' ' VAL . 24.6 pt -53.55 -33.0 21.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-O 120.991 0.424 . . . . 0.0 111.522 -177.197 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' ARG . . . . . 0.483 ' HA ' HD13 ' A' ' 80' ' ' ILE . 19.8 mtp180 -59.59 -46.43 88.96 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.038 177.782 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 46' ' ' MET . . . . . 0.403 ' HG2' ' HA ' ' B' ' 57' ' ' THR . 84.2 mtp -77.55 -22.41 51.07 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.084 -178.299 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.467 HG23 ' O ' ' A' ' 43' ' ' PRO . 96.8 t -63.9 -41.62 93.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 N-CA-C 110.013 -0.366 . . . . 0.0 110.013 175.734 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 68.5 mt -71.8 -34.04 69.04 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.302 175.214 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -61.65 -50.58 71.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.051 177.75 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 15.4 tt -72.87 -25.63 22.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.587 -179.438 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.491 ' O ' ' HG2' ' A' ' 55' ' ' ARG . 12.9 tp -60.07 -58.24 9.37 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.083 175.778 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.442 ' O ' ' HD1' ' A' ' 56' ' ' PHE . . . -55.27 -42.95 74.24 Favored 'General case' 0 CA--C 1.516 -0.328 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.28 179.431 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.413 ' HB2' ' HB2' ' B' ' 53' ' ' PHE . 72.7 t80 -51.85 -59.65 4.07 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.273 175.248 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 95.1 mt -71.42 -6.68 42.11 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 112.505 0.557 . . . . 0.0 112.505 -175.545 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.499 ' HA ' HH11 ' A' ' 55' ' ' ARG . 10.4 mmm180 -98.24 -32.37 11.6 Favored 'General case' 0 C--N 1.327 -0.406 0 O-C-N 122.225 -0.297 . . . . 0.0 111.564 178.491 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 56' ' ' PHE . . . . . 0.442 ' HD1' ' O ' ' A' ' 52' ' ' ALA . 85.2 m-85 -96.98 -5.88 36.79 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 120.778 0.323 . . . . 0.0 110.958 179.189 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 70.3 p -100.59 -33.03 10.47 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.821 172.427 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -149.24 -179.59 7.16 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.816 -176.292 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.422 ' N ' HD12 ' A' ' 59' ' ' ILE . 4.1 mp -111.5 123.97 67.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.03 -179.644 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 88.8 tttt 63.75 99.52 0.04 OUTLIER Pre-proline 0 N--CA 1.466 0.365 0 O-C-N 123.721 0.638 . . . . 0.0 111.012 -178.473 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 36.1 Cg_exo -61.03 -66.59 0.06 OUTLIER 'Trans proline' 0 C--N 1.345 0.375 0 C-N-CA 123.246 2.631 . . . . 0.0 112.524 -178.274 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 62' ' ' SER . . . . . 0.524 ' O ' HG12 ' A' ' 66' ' ' ILE . 61.8 p 178.98 151.27 0.31 Allowed 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 108.867 -0.79 . . . . 0.0 108.867 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 83.6 mt -67.92 -20.51 65.09 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.574 -0.285 . . . . 0.0 110.893 -178.936 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -72.59 -46.35 32.12 Favored Glycine 0 N--CA 1.448 -0.505 0 C-N-CA 121.05 -0.595 . . . . 0.0 112.018 176.654 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -67.03 -40.39 87.2 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.661 0.267 . . . . 0.0 110.487 178.145 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.524 HG12 ' O ' ' A' ' 62' ' ' SER . 49.5 mm -65.72 -32.18 57.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 121.136 0.493 . . . . 0.0 110.599 178.749 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 49.8 t-20 -63.28 -45.68 90.29 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.92 -0.582 . . . . 0.0 109.802 176.2 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 68' ' ' ARG . . . . . 0.413 HH11 HG21 ' A' ' 47' ' ' VAL . 22.4 ttt-85 -77.09 -22.78 52.24 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.271 0.557 . . . . 0.0 109.716 -178.275 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 69' ' ' TRP . . . . . 0.601 ' NE1' HD11 ' B' ' 95' ' ' ILE . 24.6 t90 -59.36 -44.58 92.67 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.149 -0.932 . . . . 0.0 110.482 176.762 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -74.51 -3.99 68.37 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.464 178.492 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 32.5 t -92.28 -17.32 24.92 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.843 0.354 . . . . 0.0 110.281 179.097 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.474 HG13 ' HB ' ' A' ' 44' ' ' ILE . 98.8 t -60.51 132.0 25.64 Favored 'Isoleucine or valine' 0 C--O 1.234 0.266 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.122 178.366 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -61.29 116.2 9.0 Favored Glycine 0 N--CA 1.442 -0.949 0 N-CA-C 110.471 -1.052 . . . . 0.0 110.471 175.677 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.582 ' O ' ' HG3' ' A' ' 78' ' ' MET . 4.9 ptpp? -62.65 -24.02 67.4 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.677 0.238 . . . . 0.0 111.497 -173.681 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 42.7 tptt -65.83 -50.06 65.97 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 109.719 -0.474 . . . . 0.0 109.719 171.762 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 76' ' ' GLU . . . . . 0.448 ' O ' HG13 ' A' ' 80' ' ' ILE . 10.1 tp10 -63.4 -38.9 92.92 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.661 -0.699 . . . . 0.0 109.729 178.289 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.418 ' O ' HG12 ' A' ' 81' ' ' ILE . . . -56.94 -43.45 81.54 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.7 177.67 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 78' ' ' MET . . . . . 0.582 ' HG3' ' O ' ' A' ' 74' ' ' LYS . 67.9 mtt -61.41 -40.62 95.08 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.428 177.782 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 67.9 mm-40 -67.25 -45.97 75.11 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.882 178.418 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.515 ' O ' ' HB2' ' A' ' 84' ' ' PHE . 96.8 mt -60.63 -50.62 79.71 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.371 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.953 179.494 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.425 HG23 ' HB3' ' B' ' 88' ' ' LEU . 45.2 mm -62.79 -35.97 73.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-O 120.959 0.409 . . . . 0.0 110.93 -179.555 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 24.3 ttpp -62.59 -50.57 70.74 Favored 'General case' 0 C--O 1.238 0.457 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.933 178.504 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 18.8 ptpt -73.6 -25.44 60.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.52 -0.309 . . . . 0.0 110.546 179.474 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 84' ' ' PHE . . . . . 0.525 ' O ' ' HG ' ' A' ' 88' ' ' LEU . 1.8 t80 -62.46 -53.21 58.21 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.011 -0.54 . . . . 0.0 109.62 177.453 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -61.85 -35.54 78.57 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-N 115.716 -0.674 . . . . 0.0 110.606 178.938 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 26.4 ttpp -58.06 -51.26 70.44 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-N 115.861 -0.608 . . . . 0.0 110.789 176.539 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 87' ' ' ASP . . . . . 0.487 ' O ' ' HG3' ' A' ' 91' ' ' MET . 0.8 OUTLIER -70.01 -32.42 70.58 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.376 -178.691 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.525 ' HG ' ' O ' ' A' ' 84' ' ' PHE . 77.3 mt -61.22 -40.16 92.97 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.877 0.37 . . . . 0.0 110.404 175.729 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -62.58 -41.67 99.09 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.4 177.105 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 90' ' ' ALA . . . . . 0.599 ' O ' HG13 ' A' ' 94' ' ' ILE . . . -63.55 -47.63 80.81 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.546 176.252 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 91' ' ' MET . . . . . 0.555 ' O ' HG12 ' A' ' 95' ' ' ILE . 65.6 mtt -56.46 -51.0 70.07 Favored 'General case' 0 N--CA 1.463 0.199 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.663 179.251 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 7.7 tt -55.09 -45.53 75.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.594 177.635 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 1.5 ttp180 -60.2 -38.08 82.19 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.322 -0.854 . . . . 0.0 111.138 178.571 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 94' ' ' ILE . . . . . 0.603 ' O ' ' HG2' ' A' ' 98' ' ' ARG . 62.1 mt -74.82 -34.0 32.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 116.627 -0.261 . . . . 0.0 111.214 -179.667 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.608 HD11 ' NE1' ' B' ' 69' ' ' TRP . 14.3 mm -54.91 -46.19 75.9 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.336 0 N-CA-C 109.268 -0.641 . . . . 0.0 109.268 175.109 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 93.0 m-20 -60.62 -42.78 97.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.341 -0.845 . . . . 0.0 110.606 175.118 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -70.18 -14.77 62.78 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.347 -0.388 . . . . 0.0 112.028 -176.073 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 98' ' ' ARG . . . . . 0.603 ' HG2' ' O ' ' A' ' 94' ' ' ILE . 12.4 mmm180 . . . . . 0 C--N 1.326 -0.42 0 CA-C-O 120.863 0.363 . . . . 0.0 110.925 178.355 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 42' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.443 -0.834 0 N-CA-C 112.064 -0.414 . . . . 0.0 112.064 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' B' B ' 43' ' ' PRO . . . . . 0.47 ' O ' HG23 ' B' ' 47' ' ' VAL . 22.5 Cg_exo -64.86 172.01 7.76 Favored 'Trans proline' 0 N--CA 1.462 -0.369 0 C-N-CA 122.44 2.094 . . . . 0.0 111.348 175.135 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 44' ' ' ILE . . . . . 0.483 ' HB ' HG13 ' B' ' 72' ' ' VAL . 24.1 pt -53.89 -33.04 23.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-O 120.888 0.375 . . . . 0.0 111.51 -177.198 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 45' ' ' ARG . . . . . 0.476 ' HA ' HD13 ' B' ' 80' ' ' ILE . 19.9 mtp180 -59.43 -46.45 88.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.879 -0.6 . . . . 0.0 111.073 177.655 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 46' ' ' MET . . . . . . . . . . . . . 84.7 mtp -77.66 -22.23 50.93 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.127 -178.253 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 47' ' ' VAL . . . . . 0.47 HG23 ' O ' ' B' ' 43' ' ' PRO . 96.8 t -63.96 -41.68 93.28 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 N-CA-C 109.937 -0.394 . . . . 0.0 109.937 175.685 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 67.8 mt -71.86 -33.98 68.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.906 0.384 . . . . 0.0 110.341 175.205 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -61.6 -50.6 71.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.026 -0.533 . . . . 0.0 111.131 177.629 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 50' ' ' ILE . . . . . . . . . . . . . 15.5 tt -72.92 -25.7 22.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.558 -179.397 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 51' ' ' LEU . . . . . 0.497 ' O ' ' HG2' ' B' ' 55' ' ' ARG . 12.8 tp -59.99 -58.25 9.34 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.394 -0.367 . . . . 0.0 110.088 175.788 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 52' ' ' ALA . . . . . 0.436 ' O ' ' HD1' ' B' ' 56' ' ' PHE . . . -55.25 -42.86 74.03 Favored 'General case' 0 CA--C 1.517 -0.306 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.307 179.437 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 53' ' ' PHE . . . . . 0.413 ' HB2' ' HB2' ' A' ' 53' ' ' PHE . 72.3 t80 -52.03 -59.62 4.14 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.225 175.293 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 54' ' ' LEU . . . . . . . . . . . . . 95.1 mt -71.42 -6.54 41.05 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 112.519 0.563 . . . . 0.0 112.519 -175.547 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 55' ' ' ARG . . . . . 0.497 ' HG2' ' O ' ' B' ' 51' ' ' LEU . 10.4 mmm180 -98.48 -31.93 11.73 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.692 0.282 . . . . 0.0 111.621 178.411 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 56' ' ' PHE . . . . . 0.436 ' HD1' ' O ' ' B' ' 52' ' ' ALA . 84.8 m-85 -97.32 -5.75 35.88 Favored 'General case' 0 C--N 1.321 -0.667 0 C-N-CA 120.886 -0.326 . . . . 0.0 110.909 179.137 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 57' ' ' THR . . . . . 0.403 ' HA ' ' HG2' ' A' ' 46' ' ' MET . 70.5 p -100.6 -33.06 10.46 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.868 172.581 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -149.39 -179.43 7.06 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.78 -176.204 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 59' ' ' ILE . . . . . 0.416 HD12 ' N ' ' B' ' 59' ' ' ILE . 4.1 mp -111.72 124.29 68.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 N-CA-C 109.895 -0.409 . . . . 0.0 109.895 -179.388 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 88.8 tttt 63.44 99.72 0.04 OUTLIER Pre-proline 0 N--CA 1.466 0.346 0 O-C-N 123.817 0.698 . . . . 0.0 110.856 -178.484 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 61' ' ' PRO . . . . . . . . . . . . . 36.4 Cg_exo -61.17 -67.42 0.05 OUTLIER 'Trans proline' 0 C--N 1.345 0.377 0 C-N-CA 123.226 2.617 . . . . 0.0 112.313 -178.564 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 62' ' ' SER . . . . . 0.526 ' O ' HG12 ' B' ' 66' ' ' ILE . 61.6 p 179.78 151.4 0.39 Allowed 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.792 -0.818 . . . . 0.0 108.792 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 82.7 mt -67.93 -20.97 65.13 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.658 -0.246 . . . . 0.0 110.834 -178.848 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -72.25 -46.35 34.89 Favored Glycine 0 N--CA 1.449 -0.462 0 C-N-CA 121.076 -0.583 . . . . 0.0 112.071 176.634 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -67.01 -40.33 87.26 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.544 0.211 . . . . 0.0 110.545 178.033 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 66' ' ' ILE . . . . . 0.526 HG12 ' O ' ' B' ' 62' ' ' SER . 49.4 mm -65.89 -31.96 56.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-O 121.123 0.487 . . . . 0.0 110.572 178.784 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 67' ' ' ASN . . . . . . . . . . . . . 49.3 t-20 -63.4 -45.62 90.22 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.995 -0.548 . . . . 0.0 109.857 176.031 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 68' ' ' ARG . . . . . 0.418 HH11 HG21 ' B' ' 47' ' ' VAL . 23.7 ttt-85 -77.15 -22.56 52.37 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.306 0.574 . . . . 0.0 109.763 -178.267 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 69' ' ' TRP . . . . . 0.608 ' NE1' HD11 ' A' ' 95' ' ' ILE . 24.7 t90 -59.55 -44.57 93.19 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.086 -0.961 . . . . 0.0 110.435 176.911 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . -74.34 -4.55 69.4 Favored Glycine 0 N--CA 1.45 -0.405 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.499 178.496 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 71' ' ' SER . . . . . . . . . . . . . 31.6 t -91.85 -17.44 25.28 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.885 0.374 . . . . 0.0 110.23 179.262 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 72' ' ' VAL . . . . . 0.483 HG13 ' HB ' ' B' ' 44' ' ' ILE . 98.7 t -60.4 132.07 25.54 Favored 'Isoleucine or valine' 0 C--O 1.234 0.27 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.112 178.354 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 73' ' ' GLY . . . . . . . . . . . . . . . -61.56 116.36 9.24 Favored Glycine 0 N--CA 1.441 -1.016 0 N-CA-C 110.346 -1.102 . . . . 0.0 110.346 175.841 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 74' ' ' LYS . . . . . 0.584 ' O ' ' HG3' ' B' ' 78' ' ' MET . 4.9 ptpp? -62.73 -23.86 67.39 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.746 0.273 . . . . 0.0 111.501 -173.567 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 75' ' ' LYS . . . . . . . . . . . . . 42.5 tptt -65.86 -50.16 65.53 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 109.709 -0.478 . . . . 0.0 109.709 171.823 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 76' ' ' GLU . . . . . 0.445 ' O ' HG13 ' B' ' 80' ' ' ILE . 9.5 tp10 -63.29 -38.83 92.69 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.689 -0.687 . . . . 0.0 109.74 178.241 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 77' ' ' ALA . . . . . 0.405 ' O ' HG12 ' B' ' 81' ' ' ILE . . . -56.84 -43.58 81.26 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.719 177.582 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 78' ' ' MET . . . . . 0.584 ' HG3' ' O ' ' B' ' 74' ' ' LYS . 67.9 mtt -61.16 -40.88 95.52 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.49 177.865 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 79' ' ' GLU . . . . . . . . . . . . . 67.7 mm-40 -67.09 -45.9 75.88 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.924 178.419 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 80' ' ' ILE . . . . . 0.516 ' O ' ' HB2' ' B' ' 84' ' ' PHE . 96.9 mt -60.72 -50.61 79.78 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.334 0 CA-C-N 115.839 -0.618 . . . . 0.0 110.903 179.524 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 81' ' ' ILE . . . . . 0.414 HG23 ' HB3' ' A' ' 88' ' ' LEU . 45.3 mm -62.9 -35.97 73.55 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-O 120.874 0.368 . . . . 0.0 110.885 -179.606 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 82' ' ' LYS . . . . . . . . . . . . . 24.1 ttpp -62.48 -50.8 69.99 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.891 178.426 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 83' ' ' LYS . . . . . . . . . . . . . 18.8 ptpt -73.49 -25.21 60.35 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.801 0.334 . . . . 0.0 110.564 179.583 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 84' ' ' PHE . . . . . 0.525 ' O ' ' HG ' ' B' ' 88' ' ' LEU . 1.8 t80 -62.62 -53.21 57.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.044 -0.526 . . . . 0.0 109.588 177.432 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 85' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -61.88 -35.28 77.86 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.653 178.884 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 86' ' ' LYS . . . . . . . . . . . . . 26.4 ttpp -58.23 -51.65 68.87 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.653 176.428 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 87' ' ' ASP . . . . . 0.478 ' O ' ' HG3' ' B' ' 91' ' ' MET . 0.7 OUTLIER -69.55 -32.32 71.04 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.501 -178.548 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 88' ' ' LEU . . . . . 0.525 ' HG ' ' O ' ' B' ' 84' ' ' PHE . 78.2 mt -61.47 -40.0 92.96 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.896 0.379 . . . . 0.0 110.354 175.91 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -62.67 -41.82 99.29 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.335 177.058 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 90' ' ' ALA . . . . . 0.598 ' O ' HG13 ' B' ' 94' ' ' ILE . . . -63.39 -47.47 81.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.596 176.345 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 91' ' ' MET . . . . . 0.546 ' O ' HG12 ' B' ' 95' ' ' ILE . 65.6 mtt -56.49 -51.12 69.68 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.608 179.187 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 92' ' ' LEU . . . . . . . . . . . . . 7.7 tt -55.07 -45.54 75.35 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.625 177.659 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 93' ' ' ARG . . . . . 0.434 HH11 ' HD2' ' B' ' 93' ' ' ARG . 1.4 ttp180 -60.07 -38.27 82.37 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.297 -0.865 . . . . 0.0 111.173 178.515 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 94' ' ' ILE . . . . . 0.602 ' O ' ' HG2' ' B' ' 98' ' ' ARG . 62.6 mt -74.8 -33.97 32.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.638 -0.255 . . . . 0.0 111.172 -179.584 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 95' ' ' ILE . . . . . 0.601 HD11 ' NE1' ' A' ' 69' ' ' TRP . 14.1 mm -54.72 -46.35 73.86 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.301 0 N-CA-C 109.203 -0.665 . . . . 0.0 109.203 175.016 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 96' ' ' ASN . . . . . . . . . . . . . 92.6 m-20 -60.66 -42.53 97.22 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.339 -0.846 . . . . 0.0 110.725 175.364 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 97' ' ' ALA . . . . . . . . . . . . . . . -70.3 -14.78 62.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.33 -0.396 . . . . 0.0 111.981 -176.199 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 98' ' ' ARG . . . . . 0.602 ' HG2' ' O ' ' B' ' 94' ' ' ILE . 12.4 mmm180 . . . . . 0 C--N 1.325 -0.46 0 CA-C-O 120.789 0.328 . . . . 0.0 110.839 178.38 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.445 -0.716 0 N-CA-C 112.492 -0.243 . . . . 0.0 112.492 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.476 ' O ' HG23 ' A' ' 47' ' ' VAL . 22.8 Cg_exo -65.47 174.71 4.93 Favored 'Trans proline' 0 C--O 1.233 0.235 0 C-N-CA 122.964 2.443 . . . . 0.0 112.294 177.333 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 22.7 pt -53.9 -38.28 36.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 N-CA-C 112.642 0.608 . . . . 0.0 112.642 -173.301 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 19.0 mtp180 -62.5 -45.61 92.2 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-O 120.896 0.379 . . . . 0.0 110.719 179.446 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' MET . . . . . 0.554 ' O ' HG13 ' A' ' 50' ' ' ILE . 24.1 mtt -60.18 -36.25 77.21 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.836 176.2 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.476 HG23 ' O ' ' A' ' 43' ' ' PRO . 64.0 t -60.36 -45.93 95.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.454 -0.339 . . . . 0.0 111.011 -178.75 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 11.1 mp -65.56 -32.46 74.06 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.803 0.335 . . . . 0.0 110.8 178.523 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -69.31 -47.63 63.9 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.875 176.39 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.554 HG13 ' O ' ' A' ' 46' ' ' MET . 61.3 mt -64.46 -33.37 62.45 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.166 0 CA-C-O 121.132 0.492 . . . . 0.0 109.897 177.715 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.639 ' O ' ' HG2' ' A' ' 55' ' ' ARG . 14.6 tp -56.38 -59.03 5.55 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.515 -0.766 . . . . 0.0 110.111 175.323 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.446 ' O ' ' HD1' ' A' ' 56' ' ' PHE . . . -57.47 -41.93 81.61 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.899 -0.592 . . . . 0.0 110.634 -179.818 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 88.2 t80 -52.02 -59.87 3.85 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.266 175.522 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 96.0 mt -65.88 -15.36 62.87 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 112.298 0.481 . . . . 0.0 112.298 -176.895 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.639 ' HG2' ' O ' ' A' ' 51' ' ' LEU . 41.4 mmt180 -82.96 -50.04 8.98 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.1 0.476 . . . . 0.0 111.301 178.145 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 56' ' ' PHE . . . . . 0.575 ' CZ ' ' HA ' ' B' ' 84' ' ' PHE . 87.7 m-85 -89.56 -13.97 36.13 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.759 -172.689 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 44.6 p -99.99 -46.75 5.24 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.257 0.551 . . . . 0.0 110.574 176.589 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -119.11 -178.83 3.66 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.409 -172.46 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 4.2 mp -120.72 124.55 72.63 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-N 115.755 -0.657 . . . . 0.0 109.314 176.8 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 1.6 tmtp? 72.83 96.92 0.04 OUTLIER Pre-proline 0 C--O 1.234 0.277 0 O-C-N 124.017 0.823 . . . . 0.0 110.31 -178.782 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 16.0 Cg_exo -70.16 144.96 53.48 Favored 'Trans proline' 0 C--O 1.236 0.386 0 C-N-CA 123.049 2.499 . . . . 0.0 111.539 174.905 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 39.1 m -57.84 139.33 54.35 Favored 'General case' 0 C--O 1.237 0.404 0 CA-C-O 121.309 0.576 . . . . 0.0 111.138 179.873 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 96.2 mt -66.35 -16.47 64.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.317 -0.856 . . . . 0.0 112.256 -172.283 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -64.81 -48.4 72.46 Favored Glycine 0 C--O 1.238 0.386 0 C-N-CA 120.498 -0.858 . . . . 0.0 111.313 174.526 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -64.09 -40.42 96.2 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 109.657 -0.497 . . . . 0.0 109.657 176.729 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.455 ' O ' ' HB3' ' A' ' 69' ' ' TRP . 49.0 mm -63.3 -34.94 70.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 115.727 -0.67 . . . . 0.0 111.03 178.613 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 61.5 t30 -64.87 -40.84 95.77 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.523 179.369 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 28.2 ttm180 -81.97 -24.2 35.63 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.086 0.47 . . . . 0.0 109.838 179.514 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 69' ' ' TRP . . . . . 0.59 ' NE1' HD11 ' B' ' 95' ' ' ILE . 38.3 t90 -56.91 -50.75 71.59 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.377 -0.829 . . . . 0.0 110.38 175.189 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -75.18 -0.7 61.9 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.846 -0.692 . . . . 0.0 112.592 178.295 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 33.2 t -95.25 -10.1 31.31 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.943 0.402 . . . . 0.0 110.172 178.756 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 40.1 t -75.11 140.05 18.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-N 115.961 -0.563 . . . . 0.0 109.634 177.661 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -68.0 136.85 31.15 Favored Glycine 0 N--CA 1.441 -0.988 0 N-CA-C 111.042 -0.823 . . . . 0.0 111.042 177.243 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.433 ' HD3' ' HA ' ' B' ' 96' ' ' ASN . 44.1 mttp -59.56 -42.83 93.34 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 120.836 0.35 . . . . 0.0 110.311 -175.882 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 55.6 tptt -63.71 -45.21 91.02 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.545 177.357 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 76' ' ' GLU . . . . . 0.477 ' O ' HG13 ' A' ' 80' ' ' ILE . 15.8 tp10 -61.61 -45.49 93.87 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.854 -0.612 . . . . 0.0 109.993 -179.719 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -60.4 -40.63 91.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.676 178.638 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 78' ' ' MET . . . . . 0.541 ' SD ' HD21 ' B' ' 92' ' ' LEU . 61.2 mmm -55.85 -42.61 76.09 Favored 'General case' 0 C--O 1.233 0.237 0 CA-C-O 120.947 0.403 . . . . 0.0 110.595 177.433 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -73.25 -38.77 65.86 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.775 -0.648 . . . . 0.0 111.002 -179.31 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.477 HG13 ' O ' ' A' ' 76' ' ' GLU . 86.1 mt -65.05 -48.55 83.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.574 178.502 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 41.2 mm -63.61 -34.26 66.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.67 179.458 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 29.2 ttpp -58.87 -49.85 76.23 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.093 0.473 . . . . 0.0 110.108 175.549 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 14.0 tmtt? -67.2 -36.22 81.26 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.815 -0.63 . . . . 0.0 109.623 178.759 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 84' ' ' PHE . . . . . 0.592 ' HA ' ' CZ ' ' B' ' 56' ' ' PHE . 1.4 t80 -59.18 -54.41 47.2 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.5 -0.773 . . . . 0.0 110.589 -179.79 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 99.7 mttt -58.67 -44.97 90.37 Favored 'General case' 0 C--O 1.233 0.19 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.125 -179.59 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 60.8 mtpt -66.05 -36.58 83.63 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.377 -177.491 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 16.9 t0 -68.97 -39.53 79.39 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 109.306 -0.628 . . . . 0.0 109.306 179.363 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.503 ' HG ' ' O ' ' A' ' 84' ' ' PHE . 96.2 mt -59.33 -46.21 89.22 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.533 -0.758 . . . . 0.0 110.087 174.908 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -61.58 -36.36 80.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.741 -0.663 . . . . 0.0 111.361 -179.558 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 90' ' ' ALA . . . . . 0.573 ' O ' HG13 ' A' ' 94' ' ' ILE . . . -67.53 -50.4 58.85 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.567 178.75 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 74.4 mtm -66.07 -34.23 77.59 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.725 179.715 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.552 HD21 ' SD ' ' B' ' 78' ' ' MET . 51.6 tp -56.33 -45.42 80.36 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.564 0.697 . . . . 0.0 110.336 173.855 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 67.4 ttt180 -64.72 -32.72 74.52 Favored 'General case' 0 N--CA 1.439 -1.01 0 CA-C-N 115.472 -0.786 . . . . 0.0 110.672 178.736 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 94' ' ' ILE . . . . . 0.573 HG13 ' O ' ' A' ' 90' ' ' ALA . 19.5 mt -70.71 -28.63 34.87 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 C-N-CA 120.794 -0.363 . . . . 0.0 110.315 177.809 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.569 HD11 ' NE1' ' B' ' 69' ' ' TRP . 29.7 mm -57.39 -48.08 83.4 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.14 0 CA-C-O 121.631 0.729 . . . . 0.0 109.157 171.138 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 96' ' ' ASN . . . . . 0.438 ' HA ' ' HD3' ' B' ' 74' ' ' LYS . 51.1 t30 -66.41 -35.54 80.58 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 114.894 -1.048 . . . . 0.0 110.403 177.245 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 97' ' ' ALA . . . . . 0.488 ' HB3' ' HA ' ' A' ' 94' ' ' ILE . . . -71.14 -7.46 46.82 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.556 -0.747 . . . . 0.0 112.137 -178.71 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 98' ' ' ARG . . . . . 0.401 ' HG2' ' O ' ' A' ' 94' ' ' ILE . 5.2 mmp_? . . . . . 0 C--N 1.331 -0.209 0 CA-C-O 120.956 0.407 . . . . 0.0 110.517 178.696 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 42' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.446 -0.692 0 N-CA-C 112.543 -0.223 . . . . 0.0 112.543 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' B' B ' 43' ' ' PRO . . . . . 0.476 ' O ' HG23 ' B' ' 47' ' ' VAL . 22.8 Cg_exo -65.63 174.79 5.0 Favored 'Trans proline' 0 C--N 1.343 0.282 0 C-N-CA 122.817 2.344 . . . . 0.0 112.311 177.57 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 22.5 pt -53.92 -38.38 36.55 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 N-CA-C 112.564 0.579 . . . . 0.0 112.564 -173.181 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 19.0 mtp180 -62.19 -45.47 93.23 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-O 120.861 0.362 . . . . 0.0 110.803 179.335 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 46' ' ' MET . . . . . 0.552 ' O ' HG13 ' B' ' 50' ' ' ILE . 24.0 mtt -60.66 -36.11 77.9 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.734 176.518 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 47' ' ' VAL . . . . . 0.476 HG23 ' O ' ' B' ' 43' ' ' PRO . 63.4 t -60.33 -45.95 95.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.11 -178.873 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 11.1 mp -65.37 -32.68 74.45 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.74 0.305 . . . . 0.0 110.924 178.355 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -69.07 -47.71 64.59 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.922 176.258 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 50' ' ' ILE . . . . . 0.552 HG13 ' O ' ' B' ' 46' ' ' MET . 61.2 mt -64.36 -33.57 63.59 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.16 0 CA-C-O 121.146 0.498 . . . . 0.0 109.95 177.729 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 51' ' ' LEU . . . . . 0.637 ' O ' ' HG2' ' B' ' 55' ' ' ARG . 14.7 tp -56.29 -58.98 5.68 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.531 -0.759 . . . . 0.0 110.124 175.287 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 52' ' ' ALA . . . . . 0.468 ' O ' ' HD1' ' B' ' 56' ' ' PHE . . . -57.5 -41.99 81.85 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.676 -179.859 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 53' ' ' PHE . . . . . . . . . . . . . 88.3 t80 -51.97 -59.75 3.98 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.351 175.471 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 54' ' ' LEU . . . . . . . . . . . . . 96.0 mt -66.0 -15.48 63.06 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 112.29 0.478 . . . . 0.0 112.29 -176.879 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 55' ' ' ARG . . . . . 0.637 ' HG2' ' O ' ' B' ' 51' ' ' LEU . 41.6 mmt180 -82.76 -50.47 8.65 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.077 0.465 . . . . 0.0 111.181 178.094 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 56' ' ' PHE . . . . . 0.592 ' CZ ' ' HA ' ' A' ' 84' ' ' PHE . 87.3 m-85 -89.03 -13.86 37.77 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.755 -172.484 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 57' ' ' THR . . . . . . . . . . . . . 44.3 p -100.15 -46.88 5.16 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.304 0.574 . . . . 0.0 110.572 176.47 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -118.83 -178.4 3.54 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.339 -172.508 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 59' ' ' ILE . . . . . . . . . . . . . 4.2 mp -121.02 124.37 72.1 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-N 115.643 -0.708 . . . . 0.0 109.45 176.713 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 1.6 tmtp? 73.08 96.88 0.04 OUTLIER Pre-proline 0 N--CA 1.465 0.292 0 O-C-N 124.017 0.823 . . . . 0.0 110.222 -178.758 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 61' ' ' PRO . . . . . . . . . . . . . 16.0 Cg_exo -70.15 145.03 53.73 Favored 'Trans proline' 0 C--O 1.234 0.299 0 C-N-CA 123.074 2.516 . . . . 0.0 111.561 174.863 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 33.2 m -57.96 139.15 55.02 Favored 'General case' 0 C--O 1.237 0.447 0 CA-C-O 121.201 0.524 . . . . 0.0 111.162 179.891 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 96.0 mt -66.04 -16.56 64.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.367 -0.833 . . . . 0.0 112.279 -172.397 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -64.69 -48.64 70.39 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.522 -0.847 . . . . 0.0 111.333 174.443 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -64.05 -40.38 96.15 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 109.755 -0.461 . . . . 0.0 109.755 176.759 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 66' ' ' ILE . . . . . 0.468 ' O ' ' HB3' ' B' ' 69' ' ' TRP . 48.8 mm -63.05 -35.47 71.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 115.736 -0.665 . . . . 0.0 110.919 178.432 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 67' ' ' ASN . . . . . . . . . . . . . 62.0 t30 -64.54 -41.17 96.52 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.477 179.728 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 68' ' ' ARG . . . . . . . . . . . . . 27.5 ttm180 -81.52 -24.17 36.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.124 0.488 . . . . 0.0 109.93 179.599 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 69' ' ' TRP . . . . . 0.569 ' NE1' HD11 ' A' ' 95' ' ' ILE . 38.5 t90 -56.99 -50.64 72.09 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.37 -0.832 . . . . 0.0 110.372 175.24 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . -74.95 -1.51 62.88 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.93 -0.652 . . . . 0.0 112.564 178.367 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 71' ' ' SER . . . . . . . . . . . . . 34.6 t -94.67 -9.84 33.63 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.05 0.452 . . . . 0.0 110.089 178.938 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 72' ' ' VAL . . . . . . . . . . . . . 39.9 t -75.42 139.91 18.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 115.968 -0.56 . . . . 0.0 109.685 177.619 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 73' ' ' GLY . . . . . . . . . . . . . . . -68.03 136.75 31.02 Favored Glycine 0 N--CA 1.44 -1.085 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 177.402 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 74' ' ' LYS . . . . . 0.438 ' HD3' ' HA ' ' A' ' 96' ' ' ASN . 44.4 mttp -59.56 -42.93 93.53 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 120.849 0.357 . . . . 0.0 110.384 -175.861 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 75' ' ' LYS . . . . . . . . . . . . . 55.6 tptt -63.6 -45.29 91.05 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.592 177.259 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 76' ' ' GLU . . . . . 0.485 ' O ' HG13 ' B' ' 80' ' ' ILE . 15.9 tp10 -61.42 -45.68 93.3 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.762 -0.654 . . . . 0.0 109.998 -179.671 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 77' ' ' ALA . . . . . . . . . . . . . . . -60.29 -40.53 90.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.774 178.628 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 78' ' ' MET . . . . . 0.552 ' SD ' HD21 ' A' ' 92' ' ' LEU . 61.2 mmm -55.92 -42.56 76.29 Favored 'General case' 0 N--CA 1.462 0.175 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.592 177.402 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 79' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -73.5 -38.39 65.37 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.045 -179.125 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 80' ' ' ILE . . . . . 0.485 HG13 ' O ' ' B' ' 76' ' ' GLU . 85.7 mt -65.27 -48.51 83.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.614 178.232 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 81' ' ' ILE . . . . . . . . . . . . . 41.3 mm -63.68 -34.22 66.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.901 0.381 . . . . 0.0 110.734 179.399 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 82' ' ' LYS . . . . . . . . . . . . . 29.2 ttpp -58.78 -49.97 75.67 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.161 175.458 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 83' ' ' LYS . . . . . . . . . . . . . 13.9 tmtt? -67.18 -36.17 81.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.784 -0.644 . . . . 0.0 109.686 178.548 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 84' ' ' PHE . . . . . 0.575 ' HA ' ' CZ ' ' A' ' 56' ' ' PHE . 1.4 t80 -59.28 -54.26 48.91 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.637 -0.711 . . . . 0.0 110.528 -179.786 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 85' ' ' LYS . . . . . . . . . . . . . 99.7 mttt -58.95 -44.55 91.46 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.149 -179.456 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 86' ' ' LYS . . . . . . . . . . . . . 60.2 mtpt -66.17 -36.87 84.23 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.372 -177.506 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 87' ' ' ASP . . . . . . . . . . . . . 16.1 t0 -68.81 -39.27 80.17 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 109.543 -0.54 . . . . 0.0 109.543 179.251 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 88' ' ' LEU . . . . . 0.508 ' HG ' ' O ' ' B' ' 84' ' ' PHE . 96.1 mt -59.62 -45.93 90.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.555 -0.748 . . . . 0.0 110.028 174.913 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -61.71 -36.68 81.64 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.764 -0.653 . . . . 0.0 111.284 -179.488 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 90' ' ' ALA . . . . . 0.575 ' O ' HG13 ' B' ' 94' ' ' ILE . . . -67.42 -50.25 60.21 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.608 178.935 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 91' ' ' MET . . . . . . . . . . . . . 74.1 mtm -66.05 -34.11 77.34 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.812 179.382 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 92' ' ' LEU . . . . . 0.541 HD21 ' SD ' ' A' ' 78' ' ' MET . 51.3 tp -56.48 -45.31 81.0 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.547 0.689 . . . . 0.0 110.304 173.978 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 93' ' ' ARG . . . . . . . . . . . . . 67.6 ttt180 -64.63 -33.06 75.05 Favored 'General case' 0 N--CA 1.439 -1.016 0 CA-C-N 115.482 -0.781 . . . . 0.0 110.665 178.664 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 94' ' ' ILE . . . . . 0.575 HG13 ' O ' ' B' ' 90' ' ' ALA . 19.4 mt -70.47 -28.64 35.65 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 C-N-CA 120.853 -0.339 . . . . 0.0 110.306 177.878 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 95' ' ' ILE . . . . . 0.59 HD11 ' NE1' ' A' ' 69' ' ' TRP . 29.6 mm -57.5 -48.0 83.86 Favored 'Isoleucine or valine' 0 C--O 1.233 0.217 0 N-CA-C 109.034 -0.728 . . . . 0.0 109.034 171.159 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 96' ' ' ASN . . . . . 0.433 ' HA ' ' HD3' ' A' ' 74' ' ' LYS . 50.7 t30 -66.5 -35.38 80.11 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.042 -0.981 . . . . 0.0 110.376 177.331 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 97' ' ' ALA . . . . . 0.488 ' HB3' ' HA ' ' B' ' 94' ' ' ILE . . . -71.22 -7.73 48.84 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.594 -0.73 . . . . 0.0 112.1 -178.762 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 98' ' ' ARG . . . . . 0.41 ' HG2' ' O ' ' B' ' 94' ' ' ILE . 5.2 mmp_? . . . . . 0 C--N 1.33 -0.267 0 CA-C-O 120.869 0.366 . . . . 0.0 110.594 178.616 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.441 -0.975 0 N-CA-C 111.078 -0.809 . . . . 0.0 111.078 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.526 ' HD2' ' SD ' ' A' ' 46' ' ' MET . 31.6 Cg_exo -60.37 161.66 19.61 Favored 'Trans proline' 0 C--N 1.343 0.281 0 C-N-CA 122.816 2.344 . . . . 0.0 111.52 178.449 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.53 HD12 ' HG2' ' A' ' 76' ' ' GLU . 11.2 pt -55.59 -26.38 19.62 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.337 0 N-CA-C 113.44 0.904 . . . . 0.0 113.44 -169.232 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 45' ' ' ARG . . . . . 0.491 HH11 HD11 ' A' ' 80' ' ' ILE . 3.4 mpt_? -61.86 -50.17 73.3 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-O 121.59 0.709 . . . . 0.0 109.48 172.785 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 46' ' ' MET . . . . . 0.526 ' SD ' ' HD2' ' A' ' 43' ' ' PRO . 80.4 mtp -70.74 -29.28 65.48 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 114.963 -1.017 . . . . 0.0 111.007 -179.249 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 98.2 t -62.35 -46.15 97.1 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.156 0 CA-C-O 120.775 0.322 . . . . 0.0 110.461 178.912 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 80.5 mt -68.87 -35.19 76.6 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.822 177.689 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -65.93 -48.82 70.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.436 179.08 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.41 ' O ' ' HB3' ' A' ' 53' ' ' PHE . 15.0 tt -71.4 -25.33 24.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.878 0.37 . . . . 0.0 110.3 -179.577 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.556 HD23 ' SD ' ' B' ' 91' ' ' MET . 11.9 tp -62.36 -55.81 24.38 Favored 'General case' 0 N--CA 1.451 -0.413 0 N-CA-C 109.652 -0.499 . . . . 0.0 109.652 176.133 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -57.44 -37.78 73.38 Favored 'General case' 0 CA--C 1.52 -0.196 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.585 178.174 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.41 ' HB3' ' O ' ' A' ' 50' ' ' ILE . 91.7 t80 -54.03 -56.11 21.05 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.609 -0.723 . . . . 0.0 109.72 173.82 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 81.1 mt -69.7 -10.05 56.78 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.989 -178.762 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.556 ' HG2' ' O ' ' A' ' 51' ' ' LEU . 27.7 mmm180 -85.34 -37.4 19.96 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.949 0.404 . . . . 0.0 111.044 177.407 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 56' ' ' PHE . . . . . 0.447 ' CZ ' ' HA ' ' B' ' 84' ' ' PHE . 66.4 m-85 -106.96 -10.92 15.82 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.277 -0.42 . . . . 0.0 112.042 -175.595 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 57' ' ' THR . . . . . 0.421 ' HA ' ' HG2' ' B' ' 46' ' ' MET . 27.3 p -108.68 -1.57 19.35 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.201 0.524 . . . . 0.0 110.695 175.98 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -156.6 177.54 11.36 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.846 -0.615 . . . . 0.0 109.82 -177.164 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.468 HG22 ' O ' ' A' ' 59' ' ' ILE . 3.3 mp -122.12 38.86 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-O 122.257 1.027 . . . . 0.0 110.087 179.435 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 54.3 tttp 173.79 118.72 0.09 OUTLIER Pre-proline 0 C--N 1.319 -0.761 0 CA-C-N 114.304 -1.317 . . . . 0.0 110.427 177.114 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 3.0 Cg_exo -76.82 135.3 15.7 Favored 'Trans proline' 0 N--CA 1.457 -0.639 0 C-N-CA 122.34 2.027 . . . . 0.0 110.689 169.212 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 62' ' ' SER . . . . . 0.41 ' HB2' HD23 ' A' ' 65' ' ' LEU . 14.7 m -60.93 142.26 56.54 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.217 0.532 . . . . 0.0 110.659 -179.382 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 87.4 mt -58.24 -30.37 66.49 Favored 'General case' 0 C--O 1.224 -0.289 0 CA-C-N 115.069 -0.969 . . . . 0.0 112.773 -170.581 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -58.11 -44.76 94.6 Favored Glycine 0 C--O 1.239 0.435 0 C-N-CA 120.295 -0.955 . . . . 0.0 111.428 177.555 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.41 HD23 ' HB2' ' A' ' 62' ' ' SER . 2.9 mm? -66.76 -40.5 88.27 Favored 'General case' 0 C--O 1.219 -0.506 0 N-CA-C 109.76 -0.459 . . . . 0.0 109.76 177.395 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.434 ' O ' ' HB3' ' A' ' 69' ' ' TRP . 41.6 mm -62.0 -42.89 96.58 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.349 0 CA-C-O 121.122 0.487 . . . . 0.0 111.247 179.44 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 21.4 m-80 -61.61 -39.4 91.1 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.894 -0.593 . . . . 0.0 111.401 179.579 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 55.8 ttt180 -83.9 -23.77 31.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.292 0.568 . . . . 0.0 110.254 179.456 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 69' ' ' TRP . . . . . 0.543 ' NE1' HD11 ' B' ' 95' ' ' ILE . 36.3 t90 -58.57 -46.98 85.75 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.282 -0.872 . . . . 0.0 110.582 176.977 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -68.86 -11.9 63.89 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.842 -0.694 . . . . 0.0 112.598 178.132 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 23.7 t -86.64 -19.34 29.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.748 0.308 . . . . 0.0 110.321 179.101 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 28.3 t -66.42 135.34 28.64 Favored 'Isoleucine or valine' 0 C--O 1.235 0.325 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 173.963 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -80.55 151.96 33.23 Favored Glycine 0 N--CA 1.447 -0.632 0 C-N-CA 120.511 -0.852 . . . . 0.0 111.731 179.419 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.544 ' O ' ' HG3' ' A' ' 78' ' ' MET . 0.0 OUTLIER -62.94 -44.96 94.64 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.732 0.266 . . . . 0.0 111.145 -177.508 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 57.8 tptt -60.38 -48.05 83.43 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.133 0.492 . . . . 0.0 110.125 179.625 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 76' ' ' GLU . . . . . 0.53 ' HG2' HD12 ' A' ' 44' ' ' ILE . 9.7 tp10 -59.01 -50.32 74.55 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.221 -0.899 . . . . 0.0 110.416 178.272 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.533 ' O ' HG12 ' A' ' 81' ' ' ILE . . . -58.84 -41.82 87.83 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.911 -179.733 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 78' ' ' MET . . . . . 0.544 ' HG3' ' O ' ' A' ' 74' ' ' LYS . 65.9 mtt -54.06 -49.35 69.19 Favored 'General case' 0 CA--C 1.518 -0.259 0 O-C-N 123.08 0.237 . . . . 0.0 110.688 178.223 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.43 ' O ' ' HG2' ' A' ' 83' ' ' LYS . 47.2 mt-10 -65.09 -41.9 94.57 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.896 -177.916 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.491 HD11 HH11 ' A' ' 45' ' ' ARG . 75.6 mt -62.94 -46.49 96.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.498 177.746 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.533 HG12 ' O ' ' A' ' 77' ' ' ALA . 37.9 mm -62.64 -37.13 78.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.105 -179.495 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 82' ' ' LYS . . . . . 0.535 ' HG3' ' O ' ' A' ' 78' ' ' MET . 68.6 mttm -61.64 -43.49 98.75 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.882 0.372 . . . . 0.0 110.581 176.85 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 83' ' ' LYS . . . . . 0.43 ' HG2' ' O ' ' A' ' 79' ' ' GLU . 75.3 mmtt -70.58 -33.11 70.72 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.18 178.619 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 84' ' ' PHE . . . . . 0.521 ' O ' ' HG ' ' A' ' 88' ' ' LEU . 1.7 t80 -65.38 -51.86 57.52 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.516 -0.765 . . . . 0.0 109.962 178.803 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -59.89 -35.46 74.88 Favored 'General case' 0 C--O 1.233 0.19 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.558 177.921 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 61.7 tttp -63.38 -46.79 84.85 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.726 -0.67 . . . . 0.0 111.087 178.577 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -67.81 -34.35 76.58 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 109.816 -0.439 . . . . 0.0 109.816 -178.641 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.521 ' HG ' ' O ' ' A' ' 84' ' ' PHE . 91.5 mt -62.05 -44.04 97.55 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 115.784 -0.643 . . . . 0.0 110.317 175.127 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -64.2 -37.5 87.69 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.684 178.503 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 90' ' ' ALA . . . . . 0.66 ' O ' HG13 ' A' ' 94' ' ' ILE . . . -68.3 -51.47 44.47 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.92 178.864 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 91' ' ' MET . . . . . 0.59 ' O ' HG12 ' A' ' 95' ' ' ILE . 23.4 ptp -60.85 -38.0 84.0 Favored 'General case' 0 N--CA 1.462 0.169 0 CA-C-O 120.465 0.174 . . . . 0.0 110.619 -178.781 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.416 HD21 ' HG2' ' B' ' 78' ' ' MET . 17.7 tp -60.42 -46.52 89.71 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-O 121.503 0.668 . . . . 0.0 110.47 175.247 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 93' ' ' ARG . . . . . 0.427 ' C ' ' HD3' ' A' ' 93' ' ' ARG . 3.6 tmt_? -57.89 -37.57 74.22 Favored 'General case' 0 N--CA 1.444 -0.764 0 CA-C-N 115.287 -0.869 . . . . 0.0 110.198 177.841 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 94' ' ' ILE . . . . . 0.66 HG13 ' O ' ' A' ' 90' ' ' ALA . 17.1 mt -76.02 -25.96 17.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.729 179.071 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.59 HG12 ' O ' ' A' ' 91' ' ' MET . 29.8 mm -56.97 -42.36 78.83 Favored 'Isoleucine or valine' 0 C--O 1.237 0.423 0 N-CA-C 109.341 -0.615 . . . . 0.0 109.341 172.369 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 96' ' ' ASN . . . . . 0.402 ' HA ' ' HE2' ' B' ' 74' ' ' LYS . 35.2 t30 -64.42 -43.26 94.93 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.313 -0.858 . . . . 0.0 110.153 174.626 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -66.95 -20.84 65.96 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.313 179.151 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 98' ' ' ARG . . . . . 0.403 ' HG2' ' O ' ' A' ' 94' ' ' ILE . 22.6 mmm180 . . . . . 0 C--N 1.328 -0.345 0 CA-C-O 121.305 0.574 . . . . 0.0 109.975 174.87 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 42' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.442 -0.952 0 N-CA-C 111.077 -0.809 . . . . 0.0 111.077 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' B' B ' 43' ' ' PRO . . . . . 0.531 ' HD2' ' SD ' ' B' ' 46' ' ' MET . 31.6 Cg_exo -60.22 161.45 19.7 Favored 'Trans proline' 0 C--N 1.345 0.344 0 C-N-CA 122.852 2.368 . . . . 0.0 111.662 178.277 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 44' ' ' ILE . . . . . 0.52 HD12 ' HG2' ' B' ' 76' ' ' GLU . 11.4 pt -55.69 -26.14 19.54 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.268 0 N-CA-C 113.398 0.888 . . . . 0.0 113.398 -169.178 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 45' ' ' ARG . . . . . 0.49 HH11 HD11 ' B' ' 80' ' ' ILE . 3.4 mpt_? -61.94 -50.3 72.71 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-O 121.478 0.656 . . . . 0.0 109.523 172.575 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 46' ' ' MET . . . . . 0.531 ' SD ' ' HD2' ' B' ' 43' ' ' PRO . 80.6 mtp -70.6 -29.32 65.7 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.008 -0.997 . . . . 0.0 110.994 -179.368 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 47' ' ' VAL . . . . . . . . . . . . . 97.5 t -62.44 -46.1 97.22 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.117 0 CA-C-O 120.755 0.312 . . . . 0.0 110.46 179.018 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 80.0 mt -68.94 -35.14 76.45 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.778 177.742 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -65.91 -48.85 70.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.391 179.109 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 50' ' ' ILE . . . . . 0.412 ' O ' ' HB3' ' B' ' 53' ' ' PHE . 15.1 tt -71.34 -25.23 24.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 120.865 0.364 . . . . 0.0 110.409 -179.683 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 51' ' ' LEU . . . . . 0.556 HD23 ' SD ' ' A' ' 91' ' ' MET . 11.9 tp -62.41 -55.81 24.23 Favored 'General case' 0 N--CA 1.452 -0.372 0 N-CA-C 109.628 -0.508 . . . . 0.0 109.628 176.113 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -57.42 -37.78 73.33 Favored 'General case' 0 C--O 1.233 0.205 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.579 178.155 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 53' ' ' PHE . . . . . 0.412 ' HB3' ' O ' ' B' ' 50' ' ' ILE . 91.5 t80 -54.08 -55.96 22.56 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.62 -0.718 . . . . 0.0 109.726 173.819 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 54' ' ' LEU . . . . . . . . . . . . . 81.1 mt -69.98 -9.76 56.29 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.852 -178.707 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 55' ' ' ARG . . . . . 0.554 ' HG2' ' O ' ' B' ' 51' ' ' LEU . 27.7 mmm180 -85.73 -36.9 19.89 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.741 0.305 . . . . 0.0 111.162 177.361 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 56' ' ' PHE . . . . . 0.446 ' CZ ' ' HA ' ' A' ' 84' ' ' PHE . 66.5 m-85 -107.31 -11.12 15.63 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.349 -0.387 . . . . 0.0 112.041 -175.821 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 57' ' ' THR . . . . . 0.454 ' HA ' ' HG2' ' A' ' 46' ' ' MET . 27.2 p -108.3 -1.95 19.65 Favored 'General case' 0 C--N 1.325 -0.462 0 C-N-CA 120.456 -0.498 . . . . 0.0 110.591 176.041 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -156.38 177.61 11.26 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.909 -0.587 . . . . 0.0 109.844 -177.088 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 59' ' ' ILE . . . . . 0.471 ' O ' HG22 ' B' ' 59' ' ' ILE . 3.2 mp -122.56 39.66 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-O 122.076 0.941 . . . . 0.0 109.987 179.498 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 54.4 tttp 173.45 118.98 0.09 OUTLIER Pre-proline 0 C--N 1.319 -0.73 0 CA-C-N 114.348 -1.297 . . . . 0.0 110.266 176.448 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 61' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_exo -76.76 135.42 15.93 Favored 'Trans proline' 0 N--CA 1.457 -0.644 0 C-N-CA 122.348 2.032 . . . . 0.0 110.672 168.757 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 62' ' ' SER . . . . . 0.405 ' HB2' HD23 ' B' ' 65' ' ' LEU . 14.6 m -61.01 142.05 56.9 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.217 0.532 . . . . 0.0 110.651 -179.529 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 87.5 mt -58.08 -30.5 66.27 Favored 'General case' 0 CA--C 1.517 -0.302 0 CA-C-N 115.119 -0.946 . . . . 0.0 112.69 -170.625 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -57.74 -45.13 93.76 Favored Glycine 0 C--O 1.238 0.388 0 C-N-CA 120.216 -0.992 . . . . 0.0 111.654 177.175 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 65' ' ' LEU . . . . . 0.415 ' H ' HD22 ' B' ' 65' ' ' LEU . 2.9 mm? -66.59 -40.62 88.98 Favored 'General case' 0 C--O 1.219 -0.525 0 N-CA-C 109.73 -0.47 . . . . 0.0 109.73 177.446 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 66' ' ' ILE . . . . . 0.428 ' O ' ' HB3' ' B' ' 69' ' ' TRP . 41.6 mm -61.83 -42.87 96.21 Favored 'Isoleucine or valine' 0 C--O 1.234 0.27 0 CA-C-O 121.11 0.481 . . . . 0.0 111.201 179.421 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 67' ' ' ASN . . . . . . . . . . . . . 21.6 m-80 -61.72 -39.01 90.0 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.487 179.495 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 68' ' ' ARG . . . . . . . . . . . . . 55.5 ttt180 -84.27 -23.67 30.25 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.357 0.599 . . . . 0.0 110.277 179.257 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 69' ' ' TRP . . . . . 0.522 ' NE1' HD11 ' A' ' 95' ' ' ILE . 36.3 t90 -58.53 -46.9 85.83 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.258 -0.883 . . . . 0.0 110.6 177.1 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . -69.48 -11.26 64.74 Favored Glycine 0 N--CA 1.45 -0.417 0 C-N-CA 120.94 -0.648 . . . . 0.0 112.587 178.208 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 71' ' ' SER . . . . . . . . . . . . . 24.8 t -86.63 -20.03 28.44 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 110.143 -0.318 . . . . 0.0 110.143 178.619 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 72' ' ' VAL . . . . . . . . . . . . . 27.9 t -65.94 135.42 28.43 Favored 'Isoleucine or valine' 0 C--O 1.236 0.354 0 N-CA-C 109.26 -0.644 . . . . 0.0 109.26 174.231 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 73' ' ' GLY . . . . . . . . . . . . . . . -80.56 151.84 33.05 Favored Glycine 0 N--CA 1.445 -0.71 0 C-N-CA 120.593 -0.813 . . . . 0.0 111.726 179.39 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 74' ' ' LYS . . . . . 0.531 ' O ' ' HG3' ' B' ' 78' ' ' MET . 0.0 OUTLIER -63.17 -44.87 94.22 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.657 0.228 . . . . 0.0 111.077 -177.441 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' B' B ' 75' ' ' LYS . . . . . . . . . . . . . 57.7 tptt -60.49 -47.59 85.47 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.166 0.508 . . . . 0.0 110.161 179.59 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 76' ' ' GLU . . . . . 0.52 ' HG2' HD12 ' B' ' 44' ' ' ILE . 9.8 tp10 -59.59 -50.06 75.35 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.201 -0.909 . . . . 0.0 110.443 178.345 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 77' ' ' ALA . . . . . 0.534 ' O ' HG12 ' B' ' 81' ' ' ILE . . . -58.95 -41.75 88.16 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.954 -179.849 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 78' ' ' MET . . . . . 0.536 ' O ' ' HG3' ' B' ' 82' ' ' LYS . 65.7 mtt -54.14 -49.25 69.65 Favored 'General case' 0 CA--C 1.518 -0.269 0 CA-C-O 120.725 0.298 . . . . 0.0 110.681 178.259 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 79' ' ' GLU . . . . . 0.435 ' O ' ' HG2' ' B' ' 83' ' ' LYS . 47.9 mt-10 -65.2 -41.89 94.08 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.908 -177.902 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 80' ' ' ILE . . . . . 0.49 HD11 HH11 ' B' ' 45' ' ' ARG . 75.8 mt -62.97 -46.53 96.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.402 177.638 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 81' ' ' ILE . . . . . 0.534 HG12 ' O ' ' B' ' 77' ' ' ALA . 38.6 mm -62.58 -36.87 77.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.253 -179.549 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 82' ' ' LYS . . . . . 0.536 ' HG3' ' O ' ' B' ' 78' ' ' MET . 68.6 mttm -61.86 -43.46 98.8 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.874 0.368 . . . . 0.0 110.533 176.819 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 83' ' ' LYS . . . . . 0.435 ' HG2' ' O ' ' B' ' 79' ' ' GLU . 75.3 mmtt -70.66 -33.24 70.74 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.139 0.495 . . . . 0.0 110.045 178.714 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 84' ' ' PHE . . . . . 0.529 ' O ' ' HG ' ' B' ' 88' ' ' LEU . 1.7 t80 -65.2 -51.76 58.98 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.536 -0.756 . . . . 0.0 110.067 178.885 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 85' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -59.77 -35.56 74.88 Favored 'General case' 0 C--O 1.232 0.176 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.544 177.821 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 86' ' ' LYS . . . . . . . . . . . . . 61.2 tttp -63.32 -47.42 82.3 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.914 178.771 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 87' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -67.22 -33.99 76.53 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.284 -0.416 . . . . 0.0 109.992 -178.607 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 88' ' ' LEU . . . . . 0.529 ' HG ' ' O ' ' B' ' 84' ' ' PHE . 91.9 mt -62.4 -44.1 97.24 Favored 'General case' 0 C--N 1.333 -0.127 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.214 175.107 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -64.38 -37.27 86.93 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.625 178.619 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 90' ' ' ALA . . . . . 0.682 ' O ' HG13 ' B' ' 94' ' ' ILE . . . -68.54 -50.89 48.49 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.805 -0.634 . . . . 0.0 111.006 178.752 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 91' ' ' MET . . . . . 0.583 ' O ' HG12 ' B' ' 95' ' ' ILE . 23.3 ptp -61.49 -37.92 85.42 Favored 'General case' 0 N--CA 1.462 0.168 0 C-N-CA 121.24 -0.184 . . . . 0.0 110.54 -178.665 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 92' ' ' LEU . . . . . . . . . . . . . 17.5 tp -60.27 -46.53 89.52 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-O 121.409 0.623 . . . . 0.0 110.432 175.186 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 93' ' ' ARG . . . . . 0.446 ' HD3' ' O ' ' B' ' 93' ' ' ARG . 3.6 tmt_? -57.93 -37.49 74.17 Favored 'General case' 0 N--CA 1.444 -0.742 0 CA-C-N 115.315 -0.857 . . . . 0.0 110.164 177.889 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 94' ' ' ILE . . . . . 0.682 HG13 ' O ' ' B' ' 90' ' ' ALA . 17.5 mt -76.0 -26.17 17.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.697 179.054 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 95' ' ' ILE . . . . . 0.583 HG12 ' O ' ' B' ' 91' ' ' MET . 29.7 mm -56.81 -42.55 77.98 Favored 'Isoleucine or valine' 0 C--O 1.237 0.419 0 CA-C-O 121.429 0.633 . . . . 0.0 109.35 172.542 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 96' ' ' ASN . . . . . . . . . . . . . 34.2 t30 -64.37 -43.21 95.24 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.186 -0.915 . . . . 0.0 110.138 174.746 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 97' ' ' ALA . . . . . . . . . . . . . . . -67.19 -20.34 65.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.318 179.037 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 98' ' ' ARG . . . . . 0.403 ' HG2' ' O ' ' B' ' 94' ' ' ILE . 22.7 mmm180 . . . . . 0 C--N 1.327 -0.4 0 CA-C-O 121.216 0.531 . . . . 0.0 110.006 174.794 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.446 -0.647 0 N-CA-C 112.325 -0.31 . . . . 0.0 112.325 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.674 ' HD2' ' SD ' ' A' ' 46' ' ' MET . 39.3 Cg_endo -67.79 170.25 14.44 Favored 'Trans proline' 0 C--O 1.232 0.218 0 C-N-CA 122.693 2.262 . . . . 0.0 112.108 176.553 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 24.4 pt -52.02 -40.79 30.13 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.358 0 N-CA-C 113.047 0.758 . . . . 0.0 113.047 -171.708 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 17.6 ptt180 -59.76 -46.68 88.41 Favored 'General case' 0 C--O 1.232 0.173 0 CA-C-O 121.163 0.506 . . . . 0.0 110.962 178.933 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' MET . . . . . 0.674 ' SD ' ' HD2' ' A' ' 43' ' ' PRO . 59.3 mtt -65.1 -32.46 74.17 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.621 -0.718 . . . . 0.0 111.222 178.62 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.451 HG23 ' O ' ' A' ' 43' ' ' PRO . 97.6 t -58.05 -48.75 83.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.721 0.296 . . . . 0.0 110.533 177.897 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 86.6 mt -63.52 -37.12 86.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.788 178.395 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -65.97 -47.55 74.21 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.251 178.127 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.532 HG13 ' O ' ' A' ' 46' ' ' MET . 70.0 mt -64.74 -31.58 54.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.337 179.342 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.468 HD22 ' NE1' ' A' ' 69' ' ' TRP . 13.2 tp -60.87 -55.75 29.37 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.179 176.867 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -58.17 -40.35 81.23 Favored 'General case' 0 CA--C 1.52 -0.188 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.318 178.272 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 91.6 t80 -54.1 -57.07 12.48 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.42 -0.809 . . . . 0.0 109.919 174.325 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.41 HD13 ' H ' ' A' ' 62' ' ' SER . 96.8 mt -70.36 -5.21 26.53 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 112.101 0.408 . . . . 0.0 112.101 -177.913 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.416 ' HG2' ' O ' ' A' ' 51' ' ' LEU . 32.8 mmt180 -89.87 -46.48 8.53 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.955 0.407 . . . . 0.0 111.265 174.241 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 76.8 m-85 -93.29 -14.19 27.28 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.685 -175.646 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' THR . . . . . 0.557 ' HA ' ' HG2' ' B' ' 46' ' ' MET . 17.0 p -112.36 -12.66 13.52 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 120.515 -0.474 . . . . 0.0 111.469 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -139.32 164.18 30.52 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 120.936 0.398 . . . . 0.0 110.893 -174.242 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 66.5 mt -91.02 -25.88 5.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-O 121.763 0.792 . . . . 0.0 110.942 -175.852 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 85.6 tttt -145.62 121.55 5.83 Favored Pre-proline 0 C--N 1.305 -1.353 0 CA-C-N 114.786 -1.097 . . . . 0.0 110.952 -178.598 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 15.3 Cg_exo -69.9 139.32 39.47 Favored 'Trans proline' 0 C--O 1.235 0.34 0 C-N-CA 122.481 2.121 . . . . 0.0 111.363 172.864 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 62' ' ' SER . . . . . 0.41 ' H ' HD13 ' A' ' 54' ' ' LEU . 29.4 t -64.81 143.34 58.01 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.148 0.499 . . . . 0.0 110.54 -179.046 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 86.0 mt -66.77 -16.35 64.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.447 -0.797 . . . . 0.0 111.889 -172.681 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -66.27 -43.6 92.55 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.584 -0.817 . . . . 0.0 111.44 174.662 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -69.3 -38.55 78.33 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 109.648 -0.501 . . . . 0.0 109.648 176.754 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 48.9 mm -62.03 -38.46 80.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.772 177.719 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 56.1 t30 -66.27 -40.3 90.03 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.806 179.307 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 24.0 ttm180 -86.39 -10.29 54.62 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.208 0.527 . . . . 0.0 110.287 -177.191 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 69' ' ' TRP . . . . . 0.55 ' NE1' HD11 ' B' ' 95' ' ' ILE . 12.3 t90 -60.98 -49.42 77.51 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.316 -0.856 . . . . 0.0 110.613 -179.762 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -77.68 -6.48 86.95 Favored Glycine 0 C--N 1.329 0.188 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.131 178.15 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 32.2 t -81.75 -21.68 37.72 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 109.325 -0.62 . . . . 0.0 109.325 176.579 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 60.6 t -64.9 127.33 25.59 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.355 0 CA-C-N 115.79 -0.641 . . . . 0.0 109.372 175.318 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -63.05 121.45 24.74 Favored Glycine 0 N--CA 1.444 -0.789 0 C-N-CA 120.429 -0.891 . . . . 0.0 111.078 177.708 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.562 ' O ' ' HG3' ' A' ' 78' ' ' MET . 2.0 ptpp? -58.92 -27.03 64.89 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.708 0.254 . . . . 0.0 111.382 -176.3 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.514 ' HD3' ' C ' ' A' ' 75' ' ' LYS . 8.0 tmtm? -63.96 -60.65 2.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.445 0.64 . . . . 0.0 109.428 173.363 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 7.0 tp10 -53.9 -39.36 65.7 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 114.749 -1.114 . . . . 0.0 110.866 176.487 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.528 ' O ' HG12 ' A' ' 81' ' ' ILE . . . -56.35 -44.23 79.87 Favored 'General case' 0 N--CA 1.453 -0.3 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.663 177.954 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 78' ' ' MET . . . . . 0.562 ' HG3' ' O ' ' A' ' 74' ' ' LYS . 62.7 mtt -58.43 -45.19 88.96 Favored 'General case' 0 CA--C 1.519 -0.238 0 N-CA-C 110.144 -0.317 . . . . 0.0 110.144 177.013 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 23.9 mm-40 -59.09 -49.39 78.07 Favored 'General case' 0 C--O 1.236 0.393 0 CA-C-O 121.429 0.633 . . . . 0.0 110.492 179.644 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 80.3 mt -63.06 -48.37 88.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 115.2 -0.909 . . . . 0.0 111.122 -179.218 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.528 HG12 ' O ' ' A' ' 77' ' ' ALA . 37.1 mm -60.33 -38.08 76.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.523 -0.308 . . . . 0.0 111.282 -177.857 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 82' ' ' LYS . . . . . 0.561 ' HG3' ' O ' ' A' ' 78' ' ' MET . 68.5 mttm -62.54 -45.36 93.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.776 0.322 . . . . 0.0 110.737 178.078 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 74.7 mmtt -72.27 -29.85 64.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.636 179.055 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 84' ' ' PHE . . . . . 0.508 ' O ' ' HG ' ' A' ' 88' ' ' LEU . 0.9 OUTLIER -63.94 -52.39 60.0 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.828 -0.624 . . . . 0.0 109.693 177.759 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -61.39 -35.85 78.65 Favored 'General case' 0 C--O 1.232 0.175 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.647 177.854 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 24.1 tptm -61.77 -46.32 90.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.67 178.367 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 87' ' ' ASP . . . . . 0.578 ' O ' ' HG3' ' A' ' 91' ' ' MET . 6.7 t70 -70.65 -35.35 72.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.259 -178.652 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.508 ' HG ' ' O ' ' A' ' 84' ' ' PHE . 91.4 mt -60.22 -43.33 96.11 Favored 'General case' 0 N--CA 1.463 0.217 0 CA-C-O 121.092 0.472 . . . . 0.0 110.538 176.328 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -63.26 -35.86 81.73 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.683 -0.69 . . . . 0.0 110.269 177.78 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 90' ' ' ALA . . . . . 0.463 ' O ' HG13 ' A' ' 94' ' ' ILE . . . -69.58 -41.11 76.24 Favored 'General case' 0 N--CA 1.45 -0.429 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.414 176.404 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 91' ' ' MET . . . . . 0.661 ' O ' HG12 ' A' ' 95' ' ' ILE . 67.4 mtt -53.38 -56.63 15.15 Favored 'General case' 0 CA--C 1.516 -0.336 0 N-CA-C 110.012 -0.366 . . . . 0.0 110.012 177.672 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.484 HD21 ' HG2' ' B' ' 78' ' ' MET . 47.4 tp -53.43 -48.07 69.07 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.347 -0.842 . . . . 0.0 111.264 179.422 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 43.1 ttt180 -57.29 -38.59 74.2 Favored 'General case' 0 N--CA 1.448 -0.562 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.919 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 94' ' ' ILE . . . . . 0.623 ' O ' ' HG2' ' A' ' 98' ' ' ARG . 75.7 mt -76.59 -31.92 20.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.053 179.19 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.661 HG12 ' O ' ' A' ' 91' ' ' MET . 29.5 mm -58.89 -36.74 63.02 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.27 0 CA-C-O 121.252 0.548 . . . . 0.0 109.803 176.092 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 33.3 m-80 -71.02 -39.7 72.22 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.532 175.407 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -59.61 -38.45 81.31 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.446 0.641 . . . . 0.0 110.355 177.255 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 98' ' ' ARG . . . . . 0.623 ' HG2' ' O ' ' A' ' 94' ' ' ILE . 12.7 ptm180 . . . . . 0 C--N 1.319 -0.729 0 CA-C-N 115.238 -0.892 . . . . 0.0 108.611 178.462 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 42' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.445 -0.731 0 N-CA-C 112.233 -0.347 . . . . 0.0 112.233 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' B' B ' 43' ' ' PRO . . . . . 0.665 ' HD2' ' SD ' ' B' ' 46' ' ' MET . 39.7 Cg_endo -67.73 170.13 14.6 Favored 'Trans proline' 0 C--O 1.233 0.258 0 C-N-CA 122.673 2.248 . . . . 0.0 112.032 176.614 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 44' ' ' ILE . . . . . 0.407 ' HB ' HG13 ' B' ' 72' ' ' VAL . 23.8 pt -51.87 -40.77 28.73 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.403 0 N-CA-C 113.085 0.772 . . . . 0.0 113.085 -171.59 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 17.8 ptt180 -59.8 -46.78 88.15 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-O 121.195 0.522 . . . . 0.0 110.922 178.963 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 46' ' ' MET . . . . . 0.665 ' SD ' ' HD2' ' B' ' 43' ' ' PRO . 59.0 mtt -65.09 -32.36 74.03 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.629 -0.714 . . . . 0.0 111.151 178.694 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 47' ' ' VAL . . . . . 0.44 HG23 ' O ' ' B' ' 43' ' ' PRO . 97.3 t -57.99 -48.82 83.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.74 0.305 . . . . 0.0 110.554 177.91 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 86.2 mt -63.41 -37.35 86.95 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.716 178.484 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -65.77 -47.59 74.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.224 178.25 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 50' ' ' ILE . . . . . 0.536 HG13 ' O ' ' B' ' 46' ' ' MET . 69.7 mt -64.78 -31.57 54.37 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.309 179.323 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 51' ' ' LEU . . . . . 0.464 HD22 ' NE1' ' B' ' 69' ' ' TRP . 13.1 tp -60.9 -55.69 30.03 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.257 176.813 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -58.1 -40.36 80.98 Favored 'General case' 0 CA--C 1.52 -0.208 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.377 178.204 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 53' ' ' PHE . . . . . . . . . . . . . 92.0 t80 -54.08 -56.96 13.13 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.331 -0.85 . . . . 0.0 109.968 174.284 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 54' ' ' LEU . . . . . 0.404 HD13 ' H ' ' B' ' 62' ' ' SER . 97.2 mt -70.55 -4.99 25.77 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 112.05 0.389 . . . . 0.0 112.05 -177.913 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 55' ' ' ARG . . . . . 0.41 ' HG2' ' O ' ' B' ' 51' ' ' LEU . 33.0 mmt180 -90.12 -46.32 8.54 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.97 0.414 . . . . 0.0 111.298 174.333 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 56' ' ' PHE . . . . . . . . . . . . . 77.0 m-85 -93.32 -14.32 27.08 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.735 -175.815 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 57' ' ' THR . . . . . 0.562 ' HA ' ' HG2' ' A' ' 46' ' ' MET . 16.6 p -112.42 -12.27 13.54 Favored 'General case' 0 C--N 1.33 -0.283 0 C-N-CA 120.505 -0.478 . . . . 0.0 111.498 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -139.48 164.79 28.95 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 120.868 0.366 . . . . 0.0 110.688 -174.394 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 59' ' ' ILE . . . . . . . . . . . . . 67.1 mt -91.87 -25.41 5.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-O 121.667 0.746 . . . . 0.0 110.967 -175.782 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 85.6 tttt -145.98 121.66 5.68 Favored Pre-proline 0 C--N 1.307 -1.27 0 CA-C-N 114.717 -1.128 . . . . 0.0 110.898 -178.851 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 61' ' ' PRO . . . . . . . . . . . . . 15.1 Cg_exo -69.89 139.27 39.36 Favored 'Trans proline' 0 N--CA 1.463 -0.31 0 C-N-CA 122.607 2.205 . . . . 0.0 111.441 172.716 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 62' ' ' SER . . . . . 0.404 ' H ' HD13 ' B' ' 54' ' ' LEU . 31.5 t -64.93 143.2 58.11 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.159 0.504 . . . . 0.0 110.57 -179.076 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 86.4 mt -66.46 -16.4 64.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.383 -0.826 . . . . 0.0 111.94 -172.776 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -66.37 -43.59 92.35 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.486 -0.864 . . . . 0.0 111.327 174.858 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -69.12 -38.77 79.05 Favored 'General case' 0 N--CA 1.452 -0.33 0 N-CA-C 109.659 -0.497 . . . . 0.0 109.659 176.78 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 66' ' ' ILE . . . . . . . . . . . . . 49.0 mm -61.81 -38.59 80.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.647 177.652 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 67' ' ' ASN . . . . . . . . . . . . . 56.2 t30 -66.22 -40.18 90.13 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.037 -0.528 . . . . 0.0 110.799 179.459 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 68' ' ' ARG . . . . . . . . . . . . . 23.9 ttm180 -86.51 -10.28 54.43 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.255 0.55 . . . . 0.0 110.358 -177.179 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 69' ' ' TRP . . . . . 0.519 ' NE1' HD11 ' A' ' 95' ' ' ILE . 12.3 t90 -61.01 -49.5 77.16 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.265 -0.88 . . . . 0.0 110.573 -179.745 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . -77.31 -7.19 86.9 Favored Glycine 0 C--N 1.33 0.195 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.021 178.345 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 71' ' ' SER . . . . . . . . . . . . . 31.8 t -81.34 -21.76 38.92 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 109.37 -0.604 . . . . 0.0 109.37 176.95 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 72' ' ' VAL . . . . . 0.407 HG13 ' HB ' ' B' ' 44' ' ' ILE . 59.9 t -64.9 127.34 25.59 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.356 0 CA-C-N 115.842 -0.617 . . . . 0.0 109.408 175.34 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 73' ' ' GLY . . . . . . . . . . . . . . . -63.02 121.41 24.67 Favored Glycine 0 N--CA 1.446 -0.699 0 C-N-CA 120.336 -0.935 . . . . 0.0 111.024 177.831 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 74' ' ' LYS . . . . . 0.575 ' O ' ' HG3' ' B' ' 78' ' ' MET . 2.0 ptpp? -58.87 -26.84 64.61 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.624 0.212 . . . . 0.0 111.436 -176.495 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 75' ' ' LYS . . . . . 0.531 ' C ' ' HD3' ' B' ' 75' ' ' LYS . 8.0 tmtm? -64.36 -60.64 2.93 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 173.515 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 76' ' ' GLU . . . . . 0.401 ' O ' HG13 ' B' ' 80' ' ' ILE . 7.0 tp10 -53.62 -39.38 64.9 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 114.815 -1.084 . . . . 0.0 110.984 176.333 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 77' ' ' ALA . . . . . 0.515 ' O ' HG12 ' B' ' 81' ' ' ILE . . . -56.37 -44.4 80.11 Favored 'General case' 0 N--CA 1.454 -0.261 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.616 177.97 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 78' ' ' MET . . . . . 0.575 ' HG3' ' O ' ' B' ' 74' ' ' LYS . 62.9 mtt -58.39 -45.17 88.86 Favored 'General case' 0 CA--C 1.518 -0.251 0 N-CA-C 110.091 -0.337 . . . . 0.0 110.091 177.072 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 79' ' ' GLU . . . . . . . . . . . . . 22.9 mm-40 -58.98 -49.36 78.18 Favored 'General case' 0 C--O 1.236 0.367 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.494 179.616 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 80' ' ' ILE . . . . . 0.401 HG13 ' O ' ' B' ' 76' ' ' GLU . 80.4 mt -63.26 -48.31 88.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 115.207 -0.906 . . . . 0.0 111.049 -179.153 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 81' ' ' ILE . . . . . 0.515 HG12 ' O ' ' B' ' 77' ' ' ALA . 37.1 mm -60.26 -38.24 76.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.554 -0.294 . . . . 0.0 111.297 -177.925 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 82' ' ' LYS . . . . . 0.565 ' HG3' ' O ' ' B' ' 78' ' ' MET . 68.5 mttm -62.28 -45.94 91.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.75 0.31 . . . . 0.0 110.645 177.869 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 83' ' ' LYS . . . . . . . . . . . . . 74.7 mmtt -71.83 -29.82 64.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.339 -0.392 . . . . 0.0 110.695 179.3 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 84' ' ' PHE . . . . . 0.509 ' O ' ' HG ' ' B' ' 88' ' ' LEU . 0.9 OUTLIER -63.98 -52.56 59.07 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.899 -0.591 . . . . 0.0 109.58 177.711 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B ' 85' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -61.34 -35.85 78.56 Favored 'General case' 0 C--O 1.233 0.234 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.578 178.032 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 86' ' ' LYS . . . . . . . . . . . . . 24.1 tptm -61.9 -45.81 92.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.656 178.36 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 87' ' ' ASP . . . . . 0.574 ' O ' ' HG3' ' B' ' 91' ' ' MET . 6.7 t70 -70.99 -35.38 72.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.269 -178.791 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 88' ' ' LEU . . . . . 0.509 ' HG ' ' O ' ' B' ' 84' ' ' PHE . 90.8 mt -60.31 -43.18 96.56 Favored 'General case' 0 N--CA 1.463 0.201 0 CA-C-O 121.167 0.508 . . . . 0.0 110.502 176.51 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -63.51 -35.53 80.76 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.408 177.697 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 90' ' ' ALA . . . . . 0.473 ' O ' HG13 ' B' ' 94' ' ' ILE . . . -69.71 -41.42 75.38 Favored 'General case' 0 N--CA 1.451 -0.402 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.317 176.409 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 91' ' ' MET . . . . . 0.658 ' O ' HG12 ' B' ' 95' ' ' ILE . 67.4 mtt -53.05 -56.79 13.51 Favored 'General case' 0 CA--C 1.516 -0.328 0 CA-C-N 116.295 -0.411 . . . . 0.0 109.993 177.717 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 92' ' ' LEU . . . . . 0.44 HD21 ' HG2' ' A' ' 78' ' ' MET . 47.6 tp -53.38 -48.0 69.0 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.332 -0.849 . . . . 0.0 111.248 179.465 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 93' ' ' ARG . . . . . 0.402 HH11 ' HD3' ' B' ' 93' ' ' ARG . 43.0 ttt180 -57.63 -38.32 74.82 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.826 -179.848 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 94' ' ' ILE . . . . . 0.636 ' O ' ' HG2' ' B' ' 98' ' ' ARG . 75.8 mt -76.57 -31.96 20.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 116.002 -0.544 . . . . 0.0 111.038 179.065 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 95' ' ' ILE . . . . . 0.658 HG12 ' O ' ' B' ' 91' ' ' MET . 30.2 mm -58.86 -36.67 62.44 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.301 0 CA-C-O 121.198 0.523 . . . . 0.0 109.715 176.054 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 96' ' ' ASN . . . . . . . . . . . . . 34.2 m-80 -71.46 -39.0 71.24 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.601 175.568 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 97' ' ' ALA . . . . . . . . . . . . . . . -59.94 -38.47 82.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.306 0.574 . . . . 0.0 110.413 177.014 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 98' ' ' ARG . . . . . 0.636 ' HG2' ' O ' ' B' ' 94' ' ' ILE . 12.7 ptm180 . . . . . 0 C--N 1.32 -0.682 0 N-CA-C 108.605 -0.887 . . . . 0.0 108.605 178.596 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.446 -0.688 0 N-CA-C 112.024 -0.43 . . . . 0.0 112.024 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.446 ' HD2' ' SD ' ' A' ' 46' ' ' MET . 28.5 Cg_endo -63.6 157.33 51.92 Favored 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.74 2.293 . . . . 0.0 111.605 178.027 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.421 ' HA ' ' CG2' ' A' ' 47' ' ' VAL . 10.5 pt -57.86 -27.08 29.87 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 115.114 -0.948 . . . . 0.0 113.295 -170.536 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' ARG . . . . . 0.442 ' HA ' HD13 ' A' ' 80' ' ' ILE . 9.9 ptt180 -65.28 -44.93 86.43 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.146 0.498 . . . . 0.0 110.426 174.09 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 46' ' ' MET . . . . . 0.569 ' O ' HG13 ' A' ' 50' ' ' ILE . 64.2 mtt -66.4 -31.19 71.8 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.747 176.411 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.421 ' CG2' ' HA ' ' A' ' 44' ' ' ILE . 91.4 t -57.61 -49.61 79.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.804 0.335 . . . . 0.0 110.422 177.329 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 11.2 mp -67.36 -30.67 70.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.033 177.807 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -65.13 -48.38 73.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.803 0.335 . . . . 0.0 110.853 176.761 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.569 HG13 ' O ' ' A' ' 46' ' ' MET . 53.8 mt -66.36 -35.79 75.79 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.141 -0.481 . . . . 0.0 109.96 178.257 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 11.7 tp -59.21 -54.31 48.31 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.668 -0.696 . . . . 0.0 110.718 177.243 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.426 ' O ' ' HD1' ' A' ' 56' ' ' PHE . . . -60.08 -43.6 95.39 Favored 'General case' 0 CA--C 1.518 -0.278 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.224 178.936 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.42 ' HB2' ' HB2' ' B' ' 53' ' ' PHE . 36.7 t80 -48.78 -64.26 0.85 Allowed 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.497 -0.774 . . . . 0.0 110.726 175.509 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.419 ' CD1' ' HA ' ' A' ' 61' ' ' PRO . 93.2 mt -58.94 -42.4 89.72 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.598 -177.042 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 24.7 mmt180 -65.68 -49.66 67.77 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 112.204 0.446 . . . . 0.0 112.204 -178.274 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' PHE . . . . . 0.471 ' CZ ' ' HA ' ' B' ' 84' ' ' PHE . 76.5 m-85 -76.67 -7.07 54.57 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.741 0.305 . . . . 0.0 111.257 -177.696 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 57' ' ' THR . . . . . 0.473 ' HA ' ' HG2' ' B' ' 46' ' ' MET . 77.3 p -105.42 9.62 33.6 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.018 0.437 . . . . 0.0 110.816 174.026 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . 60.9 34.91 19.41 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-N 115.486 -0.779 . . . . 0.0 112.399 175.908 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 58.3 mt -109.94 145.0 17.05 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 N-CA-C 109.385 -0.598 . . . . 0.0 109.385 172.707 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -59.49 126.26 81.89 Favored Pre-proline 0 N--CA 1.453 -0.297 0 N-CA-C 109.218 -0.66 . . . . 0.0 109.218 174.973 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 61' ' ' PRO . . . . . 0.508 ' O ' ' HB2' ' A' ' 65' ' ' LEU . 43.0 Cg_endo -66.9 -2.61 8.08 Favored 'Trans proline' 0 CA--C 1.529 0.242 0 C-N-CA 122.808 2.339 . . . . 0.0 113.816 -173.369 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 62' ' ' SER . . . . . 0.5 ' O ' HG12 ' A' ' 66' ' ' ILE . 43.0 t 70.95 142.72 0.05 Allowed 'General case' 0 N--CA 1.463 0.178 0 CA-C-O 121.724 0.773 . . . . 0.0 111.451 177.655 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 87.3 mt -67.59 -18.21 64.91 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.331 -0.849 . . . . 0.0 110.955 -178.682 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -70.0 -48.68 38.9 Favored Glycine 0 N--CA 1.449 -0.446 0 C-N-CA 120.865 -0.683 . . . . 0.0 111.884 177.092 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.508 ' HB2' ' O ' ' A' ' 61' ' ' PRO . 4.2 mm? -65.76 -37.83 87.4 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 110.053 -0.351 . . . . 0.0 110.053 177.904 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.5 HG12 ' O ' ' A' ' 62' ' ' SER . 50.0 mm -64.95 -33.96 67.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.616 177.647 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 10.7 t30 -65.17 -39.64 93.21 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.756 178.255 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 68' ' ' ARG . . . . . 0.504 ' O ' HG23 ' A' ' 72' ' ' VAL . 54.1 mtt180 -82.51 -22.71 34.95 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.503 178.186 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 69' ' ' TRP . . . . . 0.532 ' NE1' HD11 ' B' ' 95' ' ' ILE . 10.5 t90 -56.43 -52.07 66.04 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.468 -0.787 . . . . 0.0 111.105 -178.446 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -76.53 -10.88 85.59 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.858 -0.687 . . . . 0.0 112.475 177.64 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 43.0 t -82.75 -22.17 34.44 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.739 0.304 . . . . 0.0 110.251 179.017 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.504 HG23 ' O ' ' A' ' 68' ' ' ARG . 48.6 t -61.71 136.42 25.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.063 177.783 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -57.42 130.83 51.57 Favored Glycine 0 N--CA 1.443 -0.849 0 N-CA-C 110.591 -1.003 . . . . 0.0 110.591 174.965 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.428 ' HD2' ' O ' ' B' ' 95' ' ' ILE . 30.6 mmtm -66.82 -28.23 68.2 Favored 'General case' 0 C--N 1.319 -0.724 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 -173.971 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 58.2 tptt -73.34 -47.92 38.53 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.15 -0.932 . . . . 0.0 109.977 172.912 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 76' ' ' GLU . . . . . 0.466 ' O ' HG13 ' A' ' 80' ' ' ILE . 19.1 tp10 -59.84 -41.35 91.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.353 -0.839 . . . . 0.0 110.588 -179.198 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.407 ' O ' HG12 ' A' ' 81' ' ' ILE . . . -56.51 -42.23 78.03 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.782 179.233 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 66.1 mtt -62.8 -39.6 94.77 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.181 178.615 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 -68.92 -40.58 78.98 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.695 179.074 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.466 HG13 ' O ' ' A' ' 76' ' ' GLU . 87.8 mt -62.07 -47.68 92.02 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.504 177.61 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.467 HG13 ' HB2' ' B' ' 92' ' ' LEU . 43.9 mm -64.09 -38.53 82.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.178 -179.555 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 82' ' ' LYS . . . . . 0.402 ' HD2' ' C ' ' A' ' 82' ' ' LYS . 2.6 tmmm? -61.18 -49.49 76.96 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 109.44 -0.578 . . . . 0.0 109.44 177.135 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -64.42 -36.87 85.58 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.46 -0.791 . . . . 0.0 110.586 179.626 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 84' ' ' PHE . . . . . 0.541 ' O ' ' HG ' ' A' ' 88' ' ' LEU . 1.6 t80 -60.53 -53.01 62.68 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.045 178.563 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -61.24 -37.34 82.73 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.053 179.717 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 26.6 tttm -57.45 -57.47 12.51 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.896 178.343 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 87' ' ' ASP . . . . . 0.583 ' O ' ' HG2' ' A' ' 91' ' ' MET . 0.6 OUTLIER -66.78 -30.11 70.23 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.854 -0.612 . . . . 0.0 111.289 -177.565 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.541 ' HG ' ' O ' ' A' ' 84' ' ' PHE . 62.4 mt -60.93 -43.32 98.81 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.817 0.342 . . . . 0.0 110.339 174.95 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -63.47 -37.2 86.38 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.657 179.243 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 90' ' ' ALA . . . . . 0.554 ' O ' HG13 ' A' ' 94' ' ' ILE . . . -65.89 -49.97 66.18 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.751 177.825 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 91' ' ' MET . . . . . 0.583 ' HG2' ' O ' ' A' ' 87' ' ' ASP . 93.8 mmm -60.82 -37.95 83.74 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.356 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.444 ' HB2' HG13 ' B' ' 81' ' ' ILE . 54.6 tp -59.81 -45.46 92.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.684 -0.689 . . . . 0.0 111.089 177.523 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 72.3 ttt180 -64.59 -30.28 71.3 Favored 'General case' 0 N--CA 1.443 -0.779 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.555 -178.338 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 94' ' ' ILE . . . . . 0.554 HG13 ' O ' ' A' ' 90' ' ' ALA . 22.1 mt -71.18 -35.47 58.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 C-N-CA 121.01 -0.276 . . . . 0.0 110.445 176.345 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.55 HD11 ' NE1' ' B' ' 69' ' ' TRP . 13.4 mm -53.88 -48.55 62.51 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.343 0 CA-C-O 121.508 0.67 . . . . 0.0 109.335 173.589 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 64.4 t30 -74.36 -23.26 58.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.317 -0.856 . . . . 0.0 111.211 -177.999 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -66.72 -38.15 86.14 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.319 0.581 . . . . 0.0 109.898 175.184 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 98' ' ' ARG . . . . . 0.513 ' HG2' ' O ' ' A' ' 94' ' ' ILE . 15.0 ptm180 . . . . . 0 C--N 1.324 -0.527 0 CA-C-N 115.378 -0.828 . . . . 0.0 109.435 177.662 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 42' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.446 -0.697 0 N-CA-C 112.042 -0.423 . . . . 0.0 112.042 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' B' B ' 43' ' ' PRO . . . . . 0.441 ' HD2' ' SD ' ' B' ' 46' ' ' MET . 28.5 Cg_endo -63.38 157.25 51.47 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.779 2.319 . . . . 0.0 111.681 177.83 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 44' ' ' ILE . . . . . 0.422 ' HA ' ' CG2' ' B' ' 47' ' ' VAL . 10.5 pt -57.91 -27.15 30.22 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 115.083 -0.962 . . . . 0.0 113.178 -170.502 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 45' ' ' ARG . . . . . 0.433 ' HA ' HD13 ' B' ' 80' ' ' ILE . 9.9 ptt180 -65.34 -44.84 86.45 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.121 0.486 . . . . 0.0 110.423 174.142 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 46' ' ' MET . . . . . 0.548 ' O ' HG13 ' B' ' 50' ' ' ILE . 64.4 mtt -66.36 -31.18 71.8 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.75 176.372 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 47' ' ' VAL . . . . . 0.422 ' CG2' ' HA ' ' B' ' 44' ' ' ILE . 93.2 t -57.67 -49.66 79.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.692 0.282 . . . . 0.0 110.421 177.443 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 11.2 mp -67.25 -30.75 70.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.067 177.791 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -65.17 -48.33 73.88 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.529 -0.305 . . . . 0.0 110.821 176.848 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 50' ' ' ILE . . . . . 0.548 HG13 ' O ' ' B' ' 46' ' ' MET . 53.9 mt -66.23 -35.9 76.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-O 121.104 0.478 . . . . 0.0 110.037 178.099 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 11.7 tp -59.15 -54.38 47.57 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.724 177.208 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 52' ' ' ALA . . . . . 0.42 ' O ' ' HD1' ' B' ' 56' ' ' PHE . . . -60.06 -43.58 95.31 Favored 'General case' 0 CA--C 1.518 -0.28 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.26 178.93 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 53' ' ' PHE . . . . . 0.42 ' HB2' ' HB2' ' A' ' 53' ' ' PHE . 36.6 t80 -48.79 -64.39 0.82 Allowed 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.39 -0.823 . . . . 0.0 110.692 175.57 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 54' ' ' LEU . . . . . 0.425 ' CD1' ' HA ' ' B' ' 61' ' ' PRO . 93.5 mt -58.77 -42.51 89.15 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.565 -177.106 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 55' ' ' ARG . . . . . 0.402 ' HD3' ' HA ' ' B' ' 55' ' ' ARG . 24.8 mmt180 -65.7 -49.08 69.84 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 112.395 0.516 . . . . 0.0 112.395 -178.169 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 56' ' ' PHE . . . . . 0.432 ' CZ ' ' HA ' ' A' ' 84' ' ' PHE . 76.3 m-85 -77.17 -6.84 54.49 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.778 0.323 . . . . 0.0 111.305 -177.939 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 57' ' ' THR . . . . . 0.461 ' HA ' ' HG2' ' A' ' 46' ' ' MET . 77.9 p -105.86 9.76 32.72 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.05 0.452 . . . . 0.0 110.88 174.033 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . 61.06 34.85 19.03 Favored 'General case' 0 C--O 1.236 0.367 0 CA-C-N 115.414 -0.812 . . . . 0.0 112.403 175.776 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 59' ' ' ILE . . . . . . . . . . . . . 57.4 mt -110.24 144.39 18.43 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 N-CA-C 109.543 -0.54 . . . . 0.0 109.543 172.978 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -59.3 126.09 80.91 Favored Pre-proline 0 C--N 1.33 -0.278 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 175.257 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 61' ' ' PRO . . . . . 0.515 ' O ' ' HB2' ' B' ' 65' ' ' LEU . 42.4 Cg_endo -66.83 -2.62 8.02 Favored 'Trans proline' 0 CA--C 1.529 0.246 0 C-N-CA 122.854 2.369 . . . . 0.0 113.857 -173.036 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 62' ' ' SER . . . . . 0.483 ' O ' HG12 ' B' ' 66' ' ' ILE . 44.7 t 71.19 142.09 0.05 Allowed 'General case' 0 N--CA 1.463 0.212 0 CA-C-O 121.658 0.742 . . . . 0.0 111.4 177.368 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 87.2 mt -67.23 -17.89 65.0 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.488 -0.778 . . . . 0.0 111.034 -178.778 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -70.12 -48.76 37.54 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.822 -0.704 . . . . 0.0 111.772 176.981 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 65' ' ' LEU . . . . . 0.515 ' HB2' ' O ' ' B' ' 61' ' ' PRO . 4.2 mm? -65.71 -37.95 87.85 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 110.081 -0.34 . . . . 0.0 110.081 177.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 66' ' ' ILE . . . . . 0.483 HG12 ' O ' ' B' ' 62' ' ' SER . 50.0 mm -64.84 -33.96 67.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-O 121.169 0.509 . . . . 0.0 110.757 177.602 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 67' ' ' ASN . . . . . . . . . . . . . 10.7 t30 -65.0 -39.73 93.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.769 178.115 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 68' ' ' ARG . . . . . 0.501 ' O ' HG23 ' B' ' 72' ' ' VAL . 54.6 mtt-85 -82.65 -22.67 34.57 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.459 178.398 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 69' ' ' TRP . . . . . 0.55 ' NE1' HD11 ' A' ' 95' ' ' ILE . 10.6 t90 -56.42 -52.36 64.94 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.431 -0.804 . . . . 0.0 111.067 -178.526 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . -76.09 -11.18 85.03 Favored Glycine 0 N--CA 1.45 -0.411 0 C-N-CA 120.862 -0.685 . . . . 0.0 112.5 177.558 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 71' ' ' SER . . . . . . . . . . . . . 43.9 t -82.65 -21.81 34.87 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.671 0.272 . . . . 0.0 110.271 179.039 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 72' ' ' VAL . . . . . 0.501 HG23 ' O ' ' B' ' 68' ' ' ARG . 48.4 t -61.95 136.32 25.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.018 177.715 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 73' ' ' GLY . . . . . . . . . . . . . . . -57.39 131.17 51.92 Favored Glycine 0 N--CA 1.444 -0.811 0 N-CA-C 110.585 -1.006 . . . . 0.0 110.585 174.912 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 74' ' ' LYS . . . . . . . . . . . . . 30.7 mmtm -67.13 -27.77 67.59 Favored 'General case' 0 C--N 1.32 -0.711 0 N-CA-C 109.387 -0.597 . . . . 0.0 109.387 -173.914 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 75' ' ' LYS . . . . . . . . . . . . . 58.2 tptt -73.92 -48.07 33.28 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.17 -0.923 . . . . 0.0 109.822 173.127 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 76' ' ' GLU . . . . . 0.487 ' O ' HG13 ' B' ' 80' ' ' ILE . 19.6 tp10 -59.68 -41.15 90.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.314 -0.857 . . . . 0.0 110.652 -179.378 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 77' ' ' ALA . . . . . 0.411 ' O ' HG12 ' B' ' 81' ' ' ILE . . . -56.6 -42.06 78.07 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.774 179.109 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 78' ' ' MET . . . . . . . . . . . . . 66.1 mtt -63.02 -39.65 95.39 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.279 178.73 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 79' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 -68.65 -41.05 79.9 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.665 178.869 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 80' ' ' ILE . . . . . 0.487 HG13 ' O ' ' B' ' 76' ' ' GLU . 87.5 mt -61.6 -47.77 91.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.556 177.506 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 81' ' ' ILE . . . . . 0.444 HG13 ' HB2' ' A' ' 92' ' ' LEU . 44.0 mm -64.22 -38.21 81.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.149 -179.519 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 82' ' ' LYS . . . . . 0.4 ' C ' ' HD2' ' B' ' 82' ' ' LYS . 2.6 tmmm? -61.56 -49.51 76.37 Favored 'General case' 0 C--O 1.234 0.242 0 N-CA-C 109.382 -0.599 . . . . 0.0 109.382 177.256 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 83' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -64.11 -37.01 85.91 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.492 -0.776 . . . . 0.0 110.583 179.514 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 84' ' ' PHE . . . . . 0.525 ' O ' ' HG ' ' B' ' 88' ' ' LEU . 1.6 t80 -60.5 -53.15 61.06 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.064 178.649 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 85' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -61.09 -37.5 82.94 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.913 179.762 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 86' ' ' LYS . . . . . . . . . . . . . 26.7 tttm -57.32 -57.58 11.99 Favored 'General case' 0 C--O 1.236 0.347 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.978 178.358 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 87' ' ' ASP . . . . . 0.587 ' O ' ' HG2' ' B' ' 91' ' ' MET . 0.6 OUTLIER -66.64 -30.25 70.48 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.193 -177.495 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' B' B ' 88' ' ' LEU . . . . . 0.525 ' HG ' ' O ' ' B' ' 84' ' ' PHE . 62.8 mt -60.84 -43.41 98.33 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.94 0.4 . . . . 0.0 110.395 175.008 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -63.3 -36.99 85.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.73 179.203 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 90' ' ' ALA . . . . . 0.557 ' O ' HG13 ' B' ' 94' ' ' ILE . . . -66.35 -49.68 66.13 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.741 178.124 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 91' ' ' MET . . . . . 0.587 ' HG2' ' O ' ' B' ' 87' ' ' ASP . 94.2 mmm -61.01 -37.94 84.31 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.311 179.796 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 92' ' ' LEU . . . . . 0.467 ' HB2' HG13 ' A' ' 81' ' ' ILE . 54.7 tp -59.88 -45.29 92.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.697 -0.683 . . . . 0.0 111.128 177.505 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 93' ' ' ARG . . . . . . . . . . . . . 72.3 ttt180 -64.5 -30.5 71.53 Favored 'General case' 0 N--CA 1.442 -0.86 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.58 -178.468 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 94' ' ' ILE . . . . . 0.557 HG13 ' O ' ' B' ' 90' ' ' ALA . 22.3 mt -71.13 -35.5 58.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.584 -0.28 . . . . 0.0 110.396 176.52 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 95' ' ' ILE . . . . . 0.532 HD11 ' NE1' ' A' ' 69' ' ' TRP . 13.5 mm -53.84 -48.64 61.87 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.266 0 CA-C-O 121.53 0.681 . . . . 0.0 109.36 173.687 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 96' ' ' ASN . . . . . . . . . . . . . 64.0 t30 -74.63 -22.45 58.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.25 -0.886 . . . . 0.0 111.143 -177.963 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 97' ' ' ALA . . . . . . . . . . . . . . . -67.45 -37.61 83.22 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.347 0.594 . . . . 0.0 109.983 175.19 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 98' ' ' ARG . . . . . 0.52 ' HG2' ' O ' ' B' ' 94' ' ' ILE . 15.0 ptm180 . . . . . 0 C--N 1.323 -0.56 0 CA-C-N 115.198 -0.91 . . . . 0.0 109.353 177.429 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.0 0 CA-C-O 120.709 0.29 . . . . 0.0 110.64 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -61.14 -35.67 91.19 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 121.195 -0.526 . . . . 0.0 113.08 -176.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 67.7 tp -68.85 -31.47 70.45 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 120.786 0.327 . . . . 0.0 111.003 -179.354 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 53.4 tp -84.06 -39.78 19.15 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.963 0.411 . . . . 0.0 110.828 -175.505 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -93.24 -3.21 54.12 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.188 -177.322 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 68.15 25.96 74.29 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 121.101 -0.571 . . . . 0.0 112.171 177.177 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 68.4 m80 -141.23 71.01 1.35 Allowed 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.813 0.34 . . . . 0.0 110.306 -177.41 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.746 ' HA3' ' SD ' ' A' ' 46' ' ' MET . . . -83.38 -161.89 32.12 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.671 -0.776 . . . . 0.0 111.803 178.045 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.436 ' O ' HG23 ' A' ' 47' ' ' VAL . 62.8 Cg_endo -74.24 -176.19 2.57 Favored 'Trans proline' 0 N--CA 1.462 -0.325 0 C-N-CA 122.239 1.959 . . . . 0.0 112.145 178.143 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 19.2 pt -57.29 -28.78 31.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-O 120.821 0.343 . . . . 0.0 111.763 -178.349 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.506 ' HA ' HD13 ' A' ' 80' ' ' ILE . 97.0 mtt180 -62.45 -43.46 98.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.091 0.472 . . . . 0.0 110.653 176.635 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' MET . . . . . 0.746 ' SD ' ' HA3' ' A' ' 42' ' ' GLY . 54.5 mtt -73.79 -28.2 61.52 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.712 178.798 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.436 HG23 ' O ' ' A' ' 43' ' ' PRO . 86.0 t -58.55 -48.97 84.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.765 0.317 . . . . 0.0 110.434 176.573 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 62.0 mt -65.99 -35.49 80.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.679 178.427 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -60.95 -47.53 86.02 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.009 176.008 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.559 HG13 ' O ' ' A' ' 46' ' ' MET . 66.4 mt -65.32 -33.83 66.34 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.177 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.156 178.375 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.546 ' O ' ' HG2' ' A' ' 55' ' ' ARG . 14.4 tp -62.31 -52.71 62.57 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.423 178.162 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.54 -38.6 81.47 Favored 'General case' 0 CA--C 1.518 -0.277 0 CA-C-O 120.873 0.368 . . . . 0.0 110.456 178.882 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.451 ' HB3' ' O ' ' A' ' 50' ' ' ILE . 75.2 t80 -52.34 -57.67 9.06 Favored 'General case' 0 N--CA 1.451 -0.414 0 CA-C-N 115.631 -0.713 . . . . 0.0 109.27 172.817 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.445 HD13 ' H ' ' A' ' 62' ' ' SER . 93.2 mt -69.53 -6.57 31.67 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.111 -0.495 . . . . 0.0 112.301 -178.608 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.546 ' HG2' ' O ' ' A' ' 51' ' ' LEU . 36.0 mmt180 -85.81 -42.57 14.05 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.925 0.393 . . . . 0.0 110.897 175.355 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 40.6 m-85 -100.82 -8.18 22.89 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.931 -176.345 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' THR . . . . . 0.558 ' HA ' ' HG2' ' B' ' 46' ' ' MET . 43.7 p -107.34 -12.37 15.35 Favored 'General case' 0 C--N 1.327 -0.396 0 C-N-CA 120.566 -0.454 . . . . 0.0 110.993 174.862 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -146.26 170.15 17.33 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.979 -173.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 70.4 mt -105.04 -18.16 7.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-O 121.943 0.878 . . . . 0.0 110.338 -179.276 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 59.4 tptt -141.9 109.64 6.02 Favored Pre-proline 0 C--N 1.306 -1.292 0 CA-C-N 114.5 -1.227 . . . . 0.0 110.657 -178.933 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 17.1 Cg_exo -68.24 154.57 71.92 Favored 'Trans proline' 0 C--O 1.234 0.304 0 C-N-CA 122.665 2.243 . . . . 0.0 111.679 175.715 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.445 ' H ' HD13 ' A' ' 54' ' ' LEU . 12.8 m -69.7 139.78 53.47 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.629 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 84.5 mt -63.46 -21.94 66.6 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.38 -0.827 . . . . 0.0 112.076 -173.088 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -62.68 -45.8 95.02 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.576 -0.821 . . . . 0.0 111.556 175.69 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -66.19 -39.58 89.81 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 109.713 -0.477 . . . . 0.0 109.713 176.79 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 50.4 mm -65.01 -34.07 68.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.044 179.681 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 8.7 t30 -73.35 -33.86 65.31 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.883 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 65.6 ttt180 -90.85 -8.46 49.48 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.386 0.613 . . . . 0.0 110.152 -179.229 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' TRP . . . . . 0.594 ' NE1' HD11 ' B' ' 95' ' ' ILE . 11.3 t90 -60.95 -47.9 84.31 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.144 -0.935 . . . . 0.0 110.892 -178.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -73.71 -5.05 67.79 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.832 -0.699 . . . . 0.0 112.421 178.492 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 33.4 t -89.24 -8.47 53.41 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.038 0.447 . . . . 0.0 109.906 179.091 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 70.0 t -72.08 127.26 33.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.092 -0.504 . . . . 0.0 109.873 176.368 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -62.83 119.41 17.32 Favored Glycine 0 N--CA 1.442 -0.96 0 N-CA-C 110.292 -1.123 . . . . 0.0 110.292 174.563 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.494 ' O ' ' HG3' ' A' ' 78' ' ' MET . 8.5 ptpp? -63.53 -23.41 67.38 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 120.584 0.231 . . . . 0.0 111.146 -172.949 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 21.6 tptm -66.01 -49.96 65.93 Favored 'General case' 0 C--N 1.331 -0.233 0 N-CA-C 109.654 -0.498 . . . . 0.0 109.654 173.102 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.504 ' O ' HG13 ' A' ' 80' ' ' ILE . 18.5 tp10 -61.59 -40.63 95.45 Favored 'General case' 0 N--CA 1.453 -0.308 0 CA-C-N 115.648 -0.706 . . . . 0.0 109.442 176.605 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.423 ' O ' HG12 ' A' ' 81' ' ' ILE . . . -55.82 -45.42 78.34 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.824 177.377 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 78' ' ' MET . . . . . 0.494 ' HG3' ' O ' ' A' ' 74' ' ' LYS . 66.5 mtt -57.56 -41.91 81.99 Favored 'General case' 0 C--O 1.236 0.364 0 CA-C-O 121.209 0.528 . . . . 0.0 110.481 177.578 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -69.02 -46.41 68.05 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.687 179.288 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.506 HD13 ' HA ' ' A' ' 45' ' ' ARG . 86.3 mt -58.26 -53.84 40.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.98 179.194 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.452 HG23 ' HB3' ' B' ' 88' ' ' LEU . 44.6 mm -58.42 -38.77 71.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.025 -178.046 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 3.6 ttmp? -61.11 -51.87 67.29 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.707 177.892 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 53.0 mtmt -69.23 -28.57 66.47 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.961 -179.114 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' PHE . . . . . 0.453 ' O ' ' HG ' ' A' ' 88' ' ' LEU . 0.9 OUTLIER -65.5 -49.72 67.95 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.878 -0.601 . . . . 0.0 109.729 178.498 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -62.4 -32.57 73.42 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.673 178.098 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 3.8 mmmp? -65.57 -42.66 91.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.896 176.793 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -67.05 -39.16 86.85 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 109.608 -0.516 . . . . 0.0 109.608 179.354 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.453 ' HG ' ' O ' ' A' ' 84' ' ' PHE . 97.0 mt -63.77 -40.69 97.3 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.93 177.422 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -62.85 -42.29 99.68 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.593 178.555 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' ALA . . . . . 0.543 ' O ' HG13 ' A' ' 94' ' ' ILE . . . -67.15 -43.32 82.6 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.094 176.231 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 91' ' ' MET . . . . . 0.58 ' O ' HG12 ' A' ' 95' ' ' ILE . 37.7 ttm -53.01 -54.58 33.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.394 177.876 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.423 ' HB2' HG13 ' B' ' 81' ' ' ILE . 63.9 tp -52.32 -50.78 61.56 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.485 -0.78 . . . . 0.0 111.082 178.131 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 79.7 ttt180 -56.52 -43.27 79.62 Favored 'General case' 0 N--CA 1.445 -0.701 0 CA-C-N 115.253 -0.885 . . . . 0.0 111.265 -178.404 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 0.622 ' O ' ' HG2' ' A' ' 98' ' ' ARG . 52.3 mt -73.2 -35.26 46.8 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.487 0 CA-C-N 116.473 -0.33 . . . . 0.0 111.226 -178.026 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.618 HD11 ' NE1' ' B' ' 69' ' ' TRP . 25.2 mm -57.84 -42.91 83.25 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.338 0 CA-C-O 121.289 0.566 . . . . 0.0 109.575 175.023 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 94.6 m-20 -60.98 -38.83 87.36 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.334 -0.848 . . . . 0.0 110.518 176.799 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -80.29 -17.47 52.01 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.751 -178.479 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 98' ' ' ARG . . . . . 0.622 ' HG2' ' O ' ' A' ' 94' ' ' ILE . 3.7 mmp_? -65.16 -49.9 68.05 Favored 'General case' 0 CA--C 1.519 -0.235 0 CA-C-O 121.103 0.478 . . . . 0.0 110.095 178.675 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 43.9 tptt -96.01 5.06 52.05 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 109.031 -0.729 . . . . 0.0 109.031 176.197 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 100' ' ' GLU . . . . . 0.562 ' O ' ' HG3' ' A' ' 103' ' ' ARG . 12.1 pt-20 46.76 26.51 0.56 Allowed 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 125.154 1.382 . . . . 0.0 113.524 175.905 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 97.1 mttt 52.33 26.02 3.81 Favored 'General case' 0 N--CA 1.468 0.438 0 CA-C-O 120.852 0.358 . . . . 0.0 111.232 -177.551 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 21.4 tptm 57.14 65.89 1.28 Allowed 'General case' 0 CA--C 1.532 0.262 0 CA-C-N 115.361 -0.836 . . . . 0.0 111.248 -178.777 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 103' ' ' ARG . . . . . 0.562 ' HG3' ' O ' ' A' ' 100' ' ' GLU . 82.2 mtm180 -67.7 -38.47 83.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.366 0.603 . . . . 0.0 109.965 174.836 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 59.9 mtm180 . . . . . 0 C--O 1.249 1.04 0 CA-C-N 115.229 -0.896 . . . . 0.0 110.337 -176.135 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.037 0 CA-C-O 120.824 0.345 . . . . 0.0 110.539 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 36' ' ' GLY . . . . . . . . . . . . . . . -61.39 -36.34 92.37 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 121.103 -0.57 . . . . 0.0 112.988 -176.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 67.2 tp -68.18 -31.38 70.87 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 120.758 0.313 . . . . 0.0 111.157 -179.681 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 53.4 tp -84.48 -39.34 19.02 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.907 0.384 . . . . 0.0 110.798 -175.418 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -93.59 -2.81 53.67 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.193 -177.483 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . 67.84 26.15 73.96 Favored Glycine 0 N--CA 1.453 -0.219 0 C-N-CA 121.139 -0.553 . . . . 0.0 112.163 177.086 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 41' ' ' HIS . . . . . . . . . . . . . 68.4 m80 -141.4 70.58 1.34 Allowed 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.753 0.311 . . . . 0.0 110.415 -177.261 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 42' ' ' GLY . . . . . 0.739 ' HA3' ' SD ' ' B' ' 46' ' ' MET . . . -83.14 -161.62 31.28 Favored Glycine 0 N--CA 1.449 -0.459 0 C-N-CA 120.629 -0.796 . . . . 0.0 111.914 178.17 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 43' ' ' PRO . . . . . 0.448 ' O ' HG23 ' B' ' 47' ' ' VAL . 61.7 Cg_endo -74.37 -176.19 2.6 Favored 'Trans proline' 0 N--CA 1.461 -0.405 0 C-N-CA 122.268 1.979 . . . . 0.0 112.127 178.108 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 19.3 pt -57.38 -28.66 31.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-O 120.811 0.339 . . . . 0.0 111.785 -178.372 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 45' ' ' ARG . . . . . 0.511 ' HA ' HD13 ' B' ' 80' ' ' ILE . 96.8 mtt180 -62.52 -43.42 98.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.139 0.495 . . . . 0.0 110.614 176.643 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 46' ' ' MET . . . . . 0.739 ' SD ' ' HA3' ' B' ' 42' ' ' GLY . 55.1 mtt -73.74 -28.37 61.65 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.738 178.838 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 47' ' ' VAL . . . . . 0.448 HG23 ' O ' ' B' ' 43' ' ' PRO . 86.9 t -58.37 -49.07 83.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.733 0.301 . . . . 0.0 110.454 176.587 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 61.9 mt -65.8 -35.59 81.12 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.693 178.395 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -60.91 -47.74 85.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.976 175.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 50' ' ' ILE . . . . . 0.538 HG13 ' O ' ' B' ' 46' ' ' MET . 66.0 mt -65.07 -33.89 66.84 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.262 178.209 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 51' ' ' LEU . . . . . 0.554 ' O ' ' HG2' ' B' ' 55' ' ' ARG . 14.4 tp -62.31 -52.58 63.12 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.485 178.188 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.68 -38.69 82.24 Favored 'General case' 0 CA--C 1.518 -0.261 0 CA-C-O 120.895 0.379 . . . . 0.0 110.41 178.897 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 53' ' ' PHE . . . . . 0.451 ' HB3' ' O ' ' B' ' 50' ' ' ILE . 75.5 t80 -52.16 -57.64 9.01 Favored 'General case' 0 N--CA 1.451 -0.389 0 CA-C-N 115.591 -0.731 . . . . 0.0 109.319 172.686 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 54' ' ' LEU . . . . . 0.432 HD13 ' H ' ' B' ' 62' ' ' SER . 94.2 mt -69.6 -6.74 33.13 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.104 -0.498 . . . . 0.0 112.213 -178.439 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 55' ' ' ARG . . . . . 0.554 ' HG2' ' O ' ' B' ' 51' ' ' LEU . 36.3 mmt180 -85.57 -42.87 13.99 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.915 0.388 . . . . 0.0 110.928 175.534 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 56' ' ' PHE . . . . . . . . . . . . . 41.0 m-85 -100.39 -8.63 23.07 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 116.081 -0.508 . . . . 0.0 112.006 -176.383 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 57' ' ' THR . . . . . 0.535 ' HA ' ' HG2' ' A' ' 46' ' ' MET . 44.2 p -106.89 -12.48 15.46 Favored 'General case' 0 C--N 1.328 -0.347 0 C-N-CA 120.547 -0.461 . . . . 0.0 111.014 174.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -146.64 169.71 18.43 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.945 -173.766 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 59' ' ' ILE . . . . . . . . . . . . . 70.1 mt -104.37 -18.39 6.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-O 122.015 0.912 . . . . 0.0 110.482 -179.115 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 59.5 tptt -141.85 109.25 6.0 Favored Pre-proline 0 C--N 1.307 -1.263 0 CA-C-N 114.485 -1.234 . . . . 0.0 110.647 -178.622 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 61' ' ' PRO . . . . . . . . . . . . . 17.0 Cg_exo -67.94 154.06 73.75 Favored 'Trans proline' 0 C--O 1.233 0.248 0 C-N-CA 122.738 2.292 . . . . 0.0 111.772 175.703 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 62' ' ' SER . . . . . 0.432 ' H ' HD13 ' B' ' 54' ' ' LEU . 12.7 m -69.44 139.58 54.02 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.757 -179.746 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 84.8 mt -63.05 -21.96 66.52 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 115.413 -0.812 . . . . 0.0 112.242 -173.071 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -62.82 -45.52 95.54 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.656 -0.783 . . . . 0.0 111.607 175.837 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -66.39 -39.55 89.11 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 109.747 -0.464 . . . . 0.0 109.747 176.614 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 66' ' ' ILE . . . . . . . . . . . . . 50.4 mm -65.03 -34.32 69.76 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 115.805 -0.634 . . . . 0.0 111.023 179.643 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 67' ' ' ASN . . . . . . . . . . . . . 8.7 t30 -72.83 -34.47 66.85 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.904 179.882 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 68' ' ' ARG . . . . . . . . . . . . . 65.5 ttt180 -90.33 -8.49 50.66 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.416 0.626 . . . . 0.0 110.153 -179.026 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 69' ' ' TRP . . . . . 0.618 ' NE1' HD11 ' A' ' 95' ' ' ILE . 11.3 t90 -60.87 -47.93 84.13 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.204 -0.907 . . . . 0.0 110.978 -178.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . -74.39 -4.2 68.51 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.352 178.54 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 71' ' ' SER . . . . . . . . . . . . . 33.1 t -89.46 -8.66 52.48 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 120.915 0.388 . . . . 0.0 109.965 178.538 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 72' ' ' VAL . . . . . . . . . . . . . 74.2 t -71.66 127.76 33.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.13 -0.486 . . . . 0.0 109.786 176.523 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 73' ' ' GLY . . . . . . . . . . . . . . . -63.44 119.85 18.37 Favored Glycine 0 N--CA 1.443 -0.859 0 N-CA-C 110.225 -1.15 . . . . 0.0 110.225 174.69 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 74' ' ' LYS . . . . . 0.488 ' O ' ' HG3' ' B' ' 78' ' ' MET . 8.4 ptpp? -63.78 -23.29 67.3 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.69 0.245 . . . . 0.0 111.14 -173.01 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 75' ' ' LYS . . . . . . . . . . . . . 21.6 tptm -65.92 -50.23 65.16 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 109.664 -0.495 . . . . 0.0 109.664 173.007 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 76' ' ' GLU . . . . . 0.508 ' O ' HG13 ' B' ' 80' ' ' ILE . 19.5 tp10 -61.35 -40.67 95.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.692 -0.685 . . . . 0.0 109.458 176.475 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 77' ' ' ALA . . . . . 0.408 ' O ' HG12 ' B' ' 81' ' ' ILE . . . -55.71 -45.43 77.9 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.771 177.509 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 78' ' ' MET . . . . . 0.488 ' HG3' ' O ' ' B' ' 74' ' ' LYS . 66.6 mtt -57.53 -42.08 82.17 Favored 'General case' 0 C--O 1.237 0.396 0 CA-C-O 121.149 0.5 . . . . 0.0 110.597 177.55 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 79' ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 -68.78 -46.68 68.09 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.683 -0.69 . . . . 0.0 110.634 179.19 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 80' ' ' ILE . . . . . 0.511 HD13 ' HA ' ' B' ' 45' ' ' ARG . 86.3 mt -58.02 -54.07 37.11 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.006 179.216 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 81' ' ' ILE . . . . . 0.443 HG23 ' HB3' ' A' ' 88' ' ' LEU . 44.7 mm -58.29 -38.73 70.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.951 -178.105 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 82' ' ' LYS . . . . . . . . . . . . . 3.7 ttmp? -61.22 -51.95 66.82 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.576 178.074 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 83' ' ' LYS . . . . . . . . . . . . . 53.0 mtmt -69.2 -28.35 66.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.015 -179.107 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 84' ' ' PHE . . . . . 0.475 ' O ' ' HG ' ' B' ' 88' ' ' LEU . 0.9 OUTLIER -65.68 -49.46 68.47 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.913 -0.585 . . . . 0.0 109.702 178.421 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 85' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -62.68 -32.4 73.46 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.651 178.223 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 86' ' ' LYS . . . . . . . . . . . . . 3.8 mmmp? -65.97 -41.97 90.47 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.917 176.865 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 87' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -67.69 -38.88 84.28 Favored 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 109.637 -0.505 . . . . 0.0 109.637 179.239 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 88' ' ' LEU . . . . . 0.475 ' HG ' ' O ' ' B' ' 84' ' ' PHE . 97.3 mt -64.1 -40.53 96.43 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.961 177.336 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -62.85 -42.56 99.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.575 178.572 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 90' ' ' ALA . . . . . 0.544 ' O ' HG13 ' B' ' 94' ' ' ILE . . . -66.83 -43.6 83.34 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.162 176.194 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 91' ' ' MET . . . . . 0.593 ' O ' HG12 ' B' ' 95' ' ' ILE . 37.5 ttm -52.81 -54.49 33.53 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.606 -0.724 . . . . 0.0 110.359 177.894 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 92' ' ' LEU . . . . . 0.444 ' HB2' HG13 ' A' ' 81' ' ' ILE . 63.7 tp -52.55 -50.4 62.99 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.486 -0.779 . . . . 0.0 111.087 178.193 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 93' ' ' ARG . . . . . . . . . . . . . 79.7 ttt180 -56.94 -43.27 81.33 Favored 'General case' 0 N--CA 1.446 -0.674 0 CA-C-N 115.28 -0.873 . . . . 0.0 111.191 -178.313 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 94' ' ' ILE . . . . . 0.605 ' O ' ' HG2' ' B' ' 98' ' ' ARG . 51.5 mt -73.05 -35.54 48.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-N 116.456 -0.338 . . . . 0.0 111.224 -178.215 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 95' ' ' ILE . . . . . 0.594 HD11 ' NE1' ' A' ' 69' ' ' TRP . 25.1 mm -57.62 -43.29 83.15 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.368 0 CA-C-O 121.372 0.605 . . . . 0.0 109.512 175.019 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 96' ' ' ASN . . . . . . . . . . . . . 94.5 m-20 -60.59 -38.88 86.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.436 -0.802 . . . . 0.0 110.545 176.843 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 97' ' ' ALA . . . . . . . . . . . . . . . -80.17 -17.4 52.54 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.719 -178.461 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 98' ' ' ARG . . . . . 0.605 ' HG2' ' O ' ' B' ' 94' ' ' ILE . 3.7 mmp_? -65.33 -49.7 68.43 Favored 'General case' 0 CA--C 1.518 -0.256 0 CA-C-O 121.18 0.514 . . . . 0.0 110.13 178.675 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 99' ' ' LYS . . . . . . . . . . . . . 43.8 tptt -96.3 5.35 51.16 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 109.076 -0.712 . . . . 0.0 109.076 176.004 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 100' ' ' GLU . . . . . 0.566 ' O ' ' HG3' ' B' ' 103' ' ' ARG . 12.2 pt-20 46.9 25.91 0.52 Allowed 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 125.15 1.38 . . . . 0.0 113.518 175.811 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 101' ' ' LYS . . . . . . . . . . . . . 97.0 mttt 52.54 26.26 4.17 Favored 'General case' 0 N--CA 1.467 0.379 0 C-N-CA 122.628 0.371 . . . . 0.0 111.16 -177.207 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 102' ' ' LYS . . . . . . . . . . . . . 21.5 tptm 57.28 65.12 1.43 Allowed 'General case' 0 CA--C 1.533 0.32 0 CA-C-N 115.415 -0.811 . . . . 0.0 111.376 -179.165 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 103' ' ' ARG . . . . . 0.566 ' HG3' ' O ' ' B' ' 100' ' ' GLU . 82.5 mtm180 -67.12 -38.71 86.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.328 0.585 . . . . 0.0 109.832 174.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 104' ' ' ARG . . . . . . . . . . . . . 60.4 mtm180 . . . . . 0 C--O 1.248 0.992 0 CA-C-N 115.234 -0.893 . . . . 0.0 110.485 -176.222 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 0.981 0 CA-C-O 120.794 0.33 . . . . 0.0 110.213 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -60.15 -32.27 75.71 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 121.122 -0.561 . . . . 0.0 113.081 -176.491 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 63.6 mt -75.95 -9.87 58.96 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 120.805 0.336 . . . . 0.0 111.006 -177.674 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 8.6 tt -96.49 -40.03 9.27 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 109.635 -0.505 . . . . 0.0 109.635 178.395 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -80.92 -17.71 49.6 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.12 -178.652 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 93.33 33.8 7.03 Favored Glycine 0 N--CA 1.448 -0.56 0 C-N-CA 120.685 -0.769 . . . . 0.0 111.992 178.527 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 65.1 m-70 -132.25 90.69 2.84 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 109.619 -0.511 . . . . 0.0 109.619 178.59 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -112.29 179.94 19.57 Favored Glycine 0 N--CA 1.448 -0.5 0 C-N-CA 120.558 -0.83 . . . . 0.0 112.304 -177.679 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.453 ' O ' HG23 ' A' ' 47' ' ' VAL . 50.7 Cg_endo -69.48 -171.56 0.46 Allowed 'Trans proline' 0 CA--C 1.531 0.335 0 C-N-CA 122.825 2.35 . . . . 0.0 113.017 -179.844 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.512 HD12 ' OE1' ' A' ' 76' ' ' GLU . 2.6 pt -43.54 -50.91 1.39 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.554 0 N-CA-C 113.553 0.945 . . . . 0.0 113.553 -176.806 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.593 ' HG3' ' SD ' ' A' ' 46' ' ' MET . 12.2 ptt180 -59.63 -42.81 93.54 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.864 0.364 . . . . 0.0 111.879 179.892 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' MET . . . . . 0.63 ' O ' HG13 ' A' ' 50' ' ' ILE . 1.6 mpt? -68.97 -28.22 66.42 Favored 'General case' 0 C--N 1.324 -0.533 0 C-N-CA 121.045 -0.262 . . . . 0.0 110.981 178.394 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.453 HG23 ' O ' ' A' ' 43' ' ' PRO . 94.6 t -60.91 -42.01 91.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 121.433 0.635 . . . . 0.0 109.339 176.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 5.6 tp -65.27 -38.77 91.33 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 114.958 -1.019 . . . . 0.0 110.467 178.389 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -68.17 -44.99 74.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.249 178.068 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.63 HG13 ' O ' ' A' ' 46' ' ' MET . 67.0 mt -63.9 -32.7 58.14 Favored 'Isoleucine or valine' 0 C--O 1.233 0.213 0 CA-C-O 121.135 0.493 . . . . 0.0 109.927 178.374 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.519 ' O ' ' HG2' ' A' ' 55' ' ' ARG . 12.5 tp -57.3 -58.56 7.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.693 -0.685 . . . . 0.0 110.195 175.847 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -57.2 -39.48 75.49 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.995 -179.551 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 84.8 t80 -52.85 -58.99 5.09 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.623 -0.717 . . . . 0.0 109.873 174.471 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.44 HD13 ' H ' ' A' ' 62' ' ' SER . 91.8 mt -68.19 -11.87 59.99 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.933 -177.95 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.519 ' HG2' ' O ' ' A' ' 51' ' ' LEU . 26.3 mmm180 -82.18 -40.25 22.01 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.724 0.297 . . . . 0.0 111.379 178.427 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' PHE . . . . . 0.527 ' CZ ' ' HA ' ' B' ' 84' ' ' PHE . 61.2 m-85 -105.88 -8.45 17.68 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.292 -0.413 . . . . 0.0 112.067 -175.616 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' THR . . . . . 0.483 ' HA ' ' HG3' ' B' ' 46' ' ' MET . 48.9 p -102.41 -32.06 10.17 Favored 'General case' 0 C--N 1.325 -0.499 0 C-N-CA 120.215 -0.594 . . . . 0.0 110.897 174.592 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -131.9 -179.41 5.38 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.107 -173.223 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 49.3 mm -115.64 120.72 65.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 N-CA-C 109.245 -0.65 . . . . 0.0 109.245 176.227 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 87.9 tttt 66.88 103.42 0.03 OUTLIER Pre-proline 0 C--O 1.232 0.176 0 O-C-N 123.994 0.808 . . . . 0.0 111.048 -177.515 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 33.2 Cg_exo -61.53 152.01 76.18 Favored 'Trans proline' 0 C--O 1.234 0.308 0 C-N-CA 122.844 2.362 . . . . 0.0 112.08 178.122 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.451 ' HB3' HD23 ' A' ' 65' ' ' LEU . 33.4 t -58.81 138.37 57.25 Favored 'General case' 0 C--O 1.236 0.39 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.495 178.838 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 82.9 mt -60.96 -23.59 65.45 Favored 'General case' 0 C--O 1.224 -0.258 0 CA-C-N 115.307 -0.861 . . . . 0.0 112.207 -172.462 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -61.73 -43.27 99.46 Favored Glycine 0 C--O 1.237 0.339 0 C-N-CA 120.305 -0.95 . . . . 0.0 111.624 176.118 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.451 HD23 ' HB3' ' A' ' 62' ' ' SER . 3.3 mm? -68.52 -38.79 81.18 Favored 'General case' 0 C--O 1.221 -0.434 0 N-CA-C 109.696 -0.483 . . . . 0.0 109.696 176.211 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 48.8 mm -64.47 -36.14 76.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 115.989 -0.55 . . . . 0.0 111.197 179.592 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 86.1 m-20 -71.19 -38.67 72.1 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.289 179.702 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 70.6 ttt180 -87.76 -8.4 56.06 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.547 0.689 . . . . 0.0 110.151 -179.582 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' TRP . . . . . 0.683 ' NE1' HD11 ' B' ' 95' ' ' ILE . 18.0 t90 -57.16 -41.71 79.7 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 114.935 -1.03 . . . . 0.0 110.898 -179.837 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -81.63 -1.34 90.13 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.65 -0.786 . . . . 0.0 112.629 -178.899 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 26.2 t -88.75 -12.89 40.91 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.758 0.313 . . . . 0.0 110.28 -179.379 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 30.3 t -63.33 143.42 15.61 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.433 0 N-CA-C 108.798 -0.815 . . . . 0.0 108.798 174.47 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' GLY . . . . . 0.488 ' C ' ' HG2' ' A' ' 74' ' ' LYS . . . -72.55 17.62 1.49 Allowed Glycine 0 C--O 1.223 -0.575 0 CA-C-O 118.908 -0.94 . . . . 0.0 114.565 -170.334 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.488 ' HG2' ' C ' ' A' ' 73' ' ' GLY . 2.0 ptpp? 51.01 -65.68 0.0 OUTLIER 'General case' 0 N--CA 1.485 1.322 0 C-N-CA 125.114 1.366 . . . . 0.0 113.808 178.773 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.471 ' N ' ' O ' ' A' ' 73' ' ' GLY . 1.3 tmtp? -54.94 -51.21 66.81 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 108.852 -0.796 . . . . 0.0 108.852 169.803 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.512 ' OE1' HD12 ' A' ' 44' ' ' ILE . 9.9 tt0 -48.2 -47.08 35.61 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 114.291 -1.322 . . . . 0.0 110.73 171.733 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -61.49 -35.54 77.95 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.182 -179.198 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' MET . . . . . 0.436 ' HG3' ' O ' ' A' ' 74' ' ' LYS . 65.2 mtt -58.03 -44.8 87.55 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 109.82 -0.437 . . . . 0.0 109.82 176.861 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 27.5 mm-40 -64.51 -43.85 92.79 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.488 -0.778 . . . . 0.0 111.091 177.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.483 HD13 ' HA ' ' A' ' 45' ' ' ARG . 73.3 mt -62.24 -52.21 63.03 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.851 179.218 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 40.8 mm -60.96 -35.01 62.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.782 -179.446 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.71 -51.9 67.42 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.137 177.192 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 59.6 mtpt -65.42 -34.15 77.63 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.777 178.894 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' PHE . . . . . 0.533 ' O ' ' HG ' ' A' ' 88' ' ' LEU . 1.7 t80 -60.53 -52.18 66.28 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.738 -0.664 . . . . 0.0 110.029 179.248 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -63.61 -35.21 79.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.116 179.219 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -64.43 -45.17 88.69 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.896 178.367 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -67.63 -38.65 84.2 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.309 -0.405 . . . . 0.0 109.938 -178.237 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.533 ' HG ' ' O ' ' A' ' 84' ' ' PHE . 91.6 mt -60.46 -40.3 90.7 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.731 176.607 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.482 ' O ' ' HG3' ' A' ' 93' ' ' ARG . . . -62.1 -46.83 87.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.925 -179.567 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 90' ' ' ALA . . . . . 0.473 ' O ' HG13 ' A' ' 94' ' ' ILE . . . -63.36 -47.47 82.0 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.816 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 91' ' ' MET . . . . . 0.554 ' O ' HG12 ' A' ' 95' ' ' ILE . 0.0 OUTLIER -61.15 -38.49 86.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.923 -0.58 . . . . 0.0 111.308 -179.622 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 51.5 tp -58.94 -46.44 87.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.132 0.491 . . . . 0.0 110.894 177.143 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 93' ' ' ARG . . . . . 0.482 ' HG3' ' O ' ' A' ' 89' ' ' ALA . 90.2 mtt180 -61.22 -36.0 78.74 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.635 -179.724 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 0.595 ' O ' ' HG3' ' A' ' 98' ' ' ARG . 60.5 mt -69.03 -37.06 76.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.847 179.106 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.677 HD11 ' NE1' ' B' ' 69' ' ' TRP . 25.9 mm -57.11 -45.57 84.29 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.214 0 CA-C-O 121.243 0.544 . . . . 0.0 109.962 176.608 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 96' ' ' ASN . . . . . 0.577 ' O ' ' HG2' ' A' ' 99' ' ' LYS . 80.1 m-20 -60.34 -38.91 85.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.306 -0.861 . . . . 0.0 110.469 178.155 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -74.68 -2.62 27.07 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.746 -178.908 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 98' ' ' ARG . . . . . 0.595 ' HG3' ' O ' ' A' ' 94' ' ' ILE . 58.8 mtp180 -99.67 9.83 42.42 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 111.807 0.299 . . . . 0.0 111.807 -179.616 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 99' ' ' LYS . . . . . 0.577 ' HG2' ' O ' ' A' ' 96' ' ' ASN . 61.3 pttt -80.33 -43.28 21.47 Favored 'General case' 0 CA--C 1.517 -0.308 0 N-CA-C 108.86 -0.792 . . . . 0.0 108.86 171.13 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 47.46 45.58 17.27 Favored 'General case' 0 C--O 1.235 0.324 0 O-C-N 123.871 0.732 . . . . 0.0 111.242 177.539 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 58.6 pttt -144.8 -161.7 1.34 Allowed 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.67 -0.696 . . . . 0.0 110.199 178.773 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 18.7 ptpt -56.21 156.55 5.57 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 121.435 0.636 . . . . 0.0 111.924 179.672 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 34.5 ptt180 -108.86 34.66 3.57 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.563 -0.744 . . . . 0.0 110.084 178.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 33.9 mmt180 . . . . . 0 C--O 1.247 0.955 0 CA-C-O 118.516 -0.754 . . . . 0.0 110.555 -178.703 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 0.939 0 CA-C-O 120.95 0.405 . . . . 0.0 110.326 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 36' ' ' GLY . . . . . . . . . . . . . . . -60.52 -32.03 76.59 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.974 -0.631 . . . . 0.0 112.965 -176.366 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 63.5 mt -75.88 -10.14 59.18 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 120.832 0.348 . . . . 0.0 111.133 -177.663 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 8.6 tt -96.49 -40.02 9.27 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 109.552 -0.536 . . . . 0.0 109.552 178.436 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -80.78 -17.84 49.59 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.024 -178.755 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . 93.51 33.18 7.27 Favored Glycine 0 N--CA 1.449 -0.452 0 C-N-CA 120.667 -0.778 . . . . 0.0 111.991 178.652 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 41' ' ' HIS . . . . . . . . . . . . . 64.6 m-70 -131.83 90.95 2.9 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 109.427 -0.582 . . . . 0.0 109.427 178.756 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 42' ' ' GLY . . . . . . . . . . . . . . . -112.17 -179.63 19.73 Favored Glycine 0 N--CA 1.448 -0.535 0 C-N-CA 120.504 -0.855 . . . . 0.0 112.287 -177.802 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 43' ' ' PRO . . . . . 0.454 ' O ' HG23 ' B' ' 47' ' ' VAL . 50.8 Cg_endo -69.79 -171.61 0.49 Allowed 'Trans proline' 0 CA--C 1.53 0.307 0 C-N-CA 122.911 2.407 . . . . 0.0 113.02 179.869 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 44' ' ' ILE . . . . . 0.505 HD12 ' OE1' ' B' ' 76' ' ' GLU . 2.6 pt -43.53 -51.22 1.35 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.544 0 N-CA-C 113.513 0.931 . . . . 0.0 113.513 -176.784 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 45' ' ' ARG . . . . . 0.582 ' HG3' ' SD ' ' B' ' 46' ' ' MET . 12.2 ptt180 -59.32 -42.93 92.55 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.859 0.362 . . . . 0.0 111.916 179.802 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 46' ' ' MET . . . . . 0.628 ' O ' HG13 ' B' ' 50' ' ' ILE . 1.5 mpt? -68.9 -28.28 66.54 Favored 'General case' 0 C--N 1.324 -0.542 0 C-N-CA 120.99 -0.284 . . . . 0.0 110.956 178.446 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 47' ' ' VAL . . . . . 0.454 HG23 ' O ' ' B' ' 43' ' ' PRO . 94.8 t -60.83 -41.98 90.71 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.23 0 CA-C-O 121.443 0.64 . . . . 0.0 109.363 177.049 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 48' ' ' LEU . . . . . 0.43 HD12 ' HA ' ' B' ' 48' ' ' LEU . 5.6 tp -65.23 -38.85 91.7 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.007 -0.997 . . . . 0.0 110.453 178.39 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -68.13 -45.05 74.71 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.245 178.094 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 50' ' ' ILE . . . . . 0.628 HG13 ' O ' ' B' ' 46' ' ' MET . 66.8 mt -63.76 -32.78 58.29 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-O 121.064 0.459 . . . . 0.0 109.936 178.299 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 51' ' ' LEU . . . . . 0.516 ' O ' ' HG2' ' B' ' 55' ' ' ARG . 12.5 tp -57.28 -58.45 8.18 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.238 175.888 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -57.15 -39.56 75.48 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.019 -179.681 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 53' ' ' PHE . . . . . . . . . . . . . 84.9 t80 -52.78 -58.94 5.24 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.662 -0.699 . . . . 0.0 109.917 174.461 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 54' ' ' LEU . . . . . 0.439 HD13 ' H ' ' B' ' 62' ' ' SER . 92.1 mt -68.33 -11.6 59.77 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.997 -177.944 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 55' ' ' ARG . . . . . 0.516 ' HG2' ' O ' ' B' ' 51' ' ' LEU . 26.4 mmm180 -82.42 -40.3 21.41 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.868 0.366 . . . . 0.0 111.374 178.249 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 56' ' ' PHE . . . . . 0.515 ' CZ ' ' HA ' ' A' ' 84' ' ' PHE . 60.6 m-85 -105.57 -8.81 17.76 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 112.055 0.391 . . . . 0.0 112.055 -175.589 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 57' ' ' THR . . . . . 0.479 ' HA ' ' HG3' ' A' ' 46' ' ' MET . 47.8 p -102.15 -32.13 10.25 Favored 'General case' 0 C--N 1.325 -0.459 0 C-N-CA 120.252 -0.579 . . . . 0.0 110.979 174.773 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -131.88 -179.0 5.13 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.106 -173.377 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 59' ' ' ILE . . . . . . . . . . . . . 49.2 mm -115.8 120.97 66.34 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 N-CA-C 109.339 -0.615 . . . . 0.0 109.339 176.201 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 88.1 tttt 66.62 103.67 0.03 OUTLIER Pre-proline 0 N--CA 1.462 0.174 0 O-C-N 123.923 0.764 . . . . 0.0 111.082 -177.242 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 61' ' ' PRO . . . . . . . . . . . . . 31.4 Cg_exo -61.9 151.7 79.52 Favored 'Trans proline' 0 C--O 1.233 0.271 0 C-N-CA 122.83 2.353 . . . . 0.0 112.08 177.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 62' ' ' SER . . . . . 0.439 ' H ' HD13 ' B' ' 54' ' ' LEU . 33.0 t -58.68 139.03 56.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.487 178.896 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 83.9 mt -61.75 -23.36 66.11 Favored 'General case' 0 C--O 1.224 -0.257 0 CA-C-N 115.275 -0.875 . . . . 0.0 112.145 -172.157 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -61.77 -43.16 99.6 Favored Glycine 0 C--O 1.237 0.286 0 C-N-CA 120.368 -0.92 . . . . 0.0 111.633 175.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 65' ' ' LEU . . . . . 0.435 HD23 ' HB3' ' B' ' 62' ' ' SER . 3.3 mm? -68.68 -38.87 80.68 Favored 'General case' 0 C--O 1.221 -0.431 0 N-CA-C 109.689 -0.486 . . . . 0.0 109.689 176.157 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 66' ' ' ILE . . . . . . . . . . . . . 48.5 mm -64.24 -36.3 76.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.159 179.499 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 67' ' ' ASN . . . . . . . . . . . . . 86.2 m-20 -71.14 -38.69 72.25 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.272 179.801 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 68' ' ' ARG . . . . . . . . . . . . . 70.8 ttt180 -87.71 -8.34 56.22 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.475 0.655 . . . . 0.0 110.095 -179.559 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 69' ' ' TRP . . . . . 0.677 ' NE1' HD11 ' A' ' 95' ' ' ILE . 18.0 t90 -57.36 -41.6 80.43 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 114.971 -1.013 . . . . 0.0 110.863 -179.722 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . -81.82 -1.21 90.16 Favored Glycine 0 N--CA 1.45 -0.4 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.595 -178.913 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 71' ' ' SER . . . . . . . . . . . . . 22.8 t -89.03 -12.35 41.59 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.745 0.307 . . . . 0.0 110.343 -179.682 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 72' ' ' VAL . . . . . . . . . . . . . 30.9 t -63.5 143.65 15.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 N-CA-C 108.785 -0.821 . . . . 0.0 108.785 174.302 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 73' ' ' GLY . . . . . 0.477 ' C ' ' HG2' ' B' ' 74' ' ' LYS . . . -72.7 17.77 1.51 Allowed Glycine 0 C--O 1.225 -0.466 0 CA-C-O 118.765 -1.02 . . . . 0.0 114.52 -170.427 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 74' ' ' LYS . . . . . 0.483 ' HE2' ' HB3' ' A' ' 99' ' ' LYS . 2.1 ptpp? 50.92 -65.76 0.0 OUTLIER 'General case' 0 N--CA 1.485 1.315 0 C-N-CA 125.23 1.412 . . . . 0.0 113.763 178.726 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 75' ' ' LYS . . . . . 0.462 ' N ' ' O ' ' B' ' 73' ' ' GLY . 1.3 tmtp? -54.76 -51.36 65.94 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 121.679 0.752 . . . . 0.0 108.986 169.655 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 76' ' ' GLU . . . . . 0.505 ' OE1' HD12 ' B' ' 44' ' ' ILE . 9.8 tt0 -47.84 -47.32 31.44 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 114.372 -1.285 . . . . 0.0 110.796 171.457 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 77' ' ' ALA . . . . . . . . . . . . . . . -61.32 -35.56 77.72 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.873 -0.603 . . . . 0.0 111.157 -179.186 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 78' ' ' MET . . . . . 0.43 ' HG3' ' O ' ' B' ' 74' ' ' LYS . 65.3 mtt -58.11 -44.88 87.94 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 109.868 -0.419 . . . . 0.0 109.868 176.885 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 79' ' ' GLU . . . . . . . . . . . . . 34.8 mm-40 -64.42 -43.99 92.63 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.529 -0.759 . . . . 0.0 111.044 177.842 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 80' ' ' ILE . . . . . 0.472 HD13 ' HA ' ' B' ' 45' ' ' ARG . 73.5 mt -61.96 -52.22 63.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.031 -0.532 . . . . 0.0 110.87 179.206 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 81' ' ' ILE . . . . . . . . . . . . . 40.7 mm -61.1 -34.84 61.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 115.976 -0.557 . . . . 0.0 110.791 -179.415 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 82' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.96 -51.85 67.49 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.102 177.311 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 83' ' ' LYS . . . . . . . . . . . . . 60.2 mtpt -65.29 -34.39 78.23 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.711 178.755 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 84' ' ' PHE . . . . . 0.532 ' O ' ' HG ' ' B' ' 88' ' ' LEU . 1.6 t80 -60.31 -52.23 66.13 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.007 179.345 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 85' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -63.67 -35.25 79.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.925 -0.58 . . . . 0.0 111.153 179.295 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 86' ' ' LYS . . . . . . . . . . . . . 97.2 mttt -64.34 -45.09 89.37 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.995 178.285 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 87' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -67.64 -38.76 84.32 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.986 0.422 . . . . 0.0 110.071 -178.502 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 88' ' ' LEU . . . . . 0.532 ' HG ' ' O ' ' B' ' 84' ' ' PHE . 91.6 mt -60.35 -40.33 90.34 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.705 176.45 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 89' ' ' ALA . . . . . 0.476 ' O ' ' HG3' ' B' ' 93' ' ' ARG . . . -62.03 -46.8 87.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.896 -179.653 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 90' ' ' ALA . . . . . 0.479 ' O ' HG13 ' B' ' 94' ' ' ILE . . . -63.39 -47.28 82.66 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.884 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 91' ' ' MET . . . . . 0.545 ' O ' HG12 ' B' ' 95' ' ' ILE . 0.0 OUTLIER -61.34 -38.68 87.81 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.262 -179.556 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 92' ' ' LEU . . . . . . . . . . . . . 51.4 tp -58.82 -46.65 87.17 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.121 0.486 . . . . 0.0 110.847 177.217 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 93' ' ' ARG . . . . . 0.476 ' HG3' ' O ' ' B' ' 89' ' ' ALA . 90.4 mtt180 -61.03 -35.99 78.36 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.68 -179.765 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 94' ' ' ILE . . . . . 0.589 ' O ' ' HG3' ' B' ' 98' ' ' ARG . 60.5 mt -69.02 -36.93 76.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.805 179.124 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 95' ' ' ILE . . . . . 0.683 HD11 ' NE1' ' A' ' 69' ' ' TRP . 26.2 mm -57.32 -45.35 85.15 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.193 0 CA-C-O 121.24 0.543 . . . . 0.0 109.831 176.767 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 96' ' ' ASN . . . . . 0.581 ' O ' ' HG2' ' B' ' 99' ' ' LYS . 78.9 m-20 -60.69 -38.63 85.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.291 -0.868 . . . . 0.0 110.506 178.248 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 97' ' ' ALA . . . . . . . . . . . . . . . -74.63 -3.22 29.89 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.888 -0.596 . . . . 0.0 111.648 -178.943 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 98' ' ' ARG . . . . . 0.589 ' HG3' ' O ' ' B' ' 94' ' ' ILE . 59.5 mtp180 -99.46 10.76 40.78 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 111.761 0.282 . . . . 0.0 111.761 -179.521 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 99' ' ' LYS . . . . . 0.581 ' HG2' ' O ' ' B' ' 96' ' ' ASN . 61.3 pttt -80.95 -43.13 20.2 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 108.879 -0.785 . . . . 0.0 108.879 170.934 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 100' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 47.31 45.25 16.67 Favored 'General case' 0 C--O 1.236 0.356 0 O-C-N 123.789 0.68 . . . . 0.0 111.345 177.691 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 101' ' ' LYS . . . . . . . . . . . . . 58.7 pttt -144.44 -161.62 1.32 Allowed 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.232 178.831 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 102' ' ' LYS . . . . . . . . . . . . . 18.6 ptpt -56.46 156.24 6.27 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.469 0.652 . . . . 0.0 111.811 179.869 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 103' ' ' ARG . . . . . . . . . . . . . 34.9 ptt180 -108.74 35.16 3.32 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.505 -0.771 . . . . 0.0 110.032 178.794 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 104' ' ' ARG . . . . . . . . . . . . . 33.8 mmt180 . . . . . 0 C--O 1.249 1.032 0 CA-C-N 115.518 -0.765 . . . . 0.0 110.409 -179.348 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 0.994 0 CA-C-O 120.885 0.374 . . . . 0.0 110.408 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -61.37 -34.13 87.13 Favored Glycine 0 N--CA 1.449 -0.442 0 CA-C-N 115.998 -0.546 . . . . 0.0 113.019 -175.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 10.1 mp -75.77 -12.48 60.19 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 120.784 0.326 . . . . 0.0 111.319 -178.445 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 58.4 tp -94.56 -38.48 10.86 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.921 0.391 . . . . 0.0 110.466 -179.514 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -89.69 -13.86 36.02 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.253 -178.782 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 85.28 34.95 12.93 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.819 -0.705 . . . . 0.0 112.022 179.522 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 29.1 t-80 -139.87 82.95 1.9 Allowed 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.055 0.455 . . . . 0.0 110.107 -177.097 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -99.38 157.63 19.93 Favored Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.891 -0.671 . . . . 0.0 111.653 179.565 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.406 ' O ' HG23 ' A' ' 47' ' ' VAL . 51.5 Cg_exo -55.6 168.91 1.37 Allowed 'Trans proline' 0 CA--C 1.532 0.413 0 C-N-CA 123.147 2.565 . . . . 0.0 113.111 -179.606 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.614 ' HB ' HG13 ' A' ' 72' ' ' VAL . 24.9 pt -54.31 -41.48 52.89 Favored 'Isoleucine or valine' 0 C--O 1.243 0.724 0 N-CA-C 112.649 0.611 . . . . 0.0 112.649 -171.203 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.502 ' HA ' ' CD1' ' A' ' 80' ' ' ILE . 55.9 mtp180 -61.93 -40.79 96.72 Favored 'General case' 0 C--O 1.236 0.364 0 CA-C-O 121.366 0.603 . . . . 0.0 110.17 177.647 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' MET . . . . . 0.642 ' O ' HG13 ' A' ' 50' ' ' ILE . 1.8 mpt? -68.21 -30.56 69.66 Favored 'General case' 0 C--O 1.219 -0.536 0 CA-C-N 115.509 -0.769 . . . . 0.0 110.601 177.312 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.409 ' HB ' ' O ' ' A' ' 44' ' ' ILE . 95.7 t -56.21 -47.41 80.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 N-CA-C 110.287 -0.264 . . . . 0.0 110.287 177.22 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 7.3 mp -65.46 -37.02 85.63 Favored 'General case' 0 C--N 1.33 -0.27 0 C-N-CA 120.71 -0.396 . . . . 0.0 111.328 176.918 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -64.14 -44.48 92.02 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.905 0.384 . . . . 0.0 110.976 177.32 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.642 HG13 ' O ' ' A' ' 46' ' ' MET . 59.5 mt -66.0 -34.66 71.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.024 178.222 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.529 HD22 ' NE1' ' A' ' 69' ' ' TRP . 4.5 tp -58.37 -54.86 42.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.464 175.839 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -54.8 -43.33 72.81 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.383 179.814 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 74.1 t80 -53.24 -59.83 4.07 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.55 -0.75 . . . . 0.0 109.956 174.044 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 95.7 mt -66.5 -8.71 28.3 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 112.639 0.607 . . . . 0.0 112.639 -175.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.479 ' HG2' ' O ' ' A' ' 51' ' ' LEU . 17.6 mmm180 -94.38 -40.67 9.81 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.856 0.36 . . . . 0.0 111.351 178.305 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 73.2 m-85 -94.34 -15.64 24.22 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.505 -177.325 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' THR . . . . . 0.507 ' HA ' ' HG3' ' B' ' 46' ' ' MET . 34.1 p -103.83 -33.42 8.89 Favored 'General case' 0 C--N 1.325 -0.468 0 C-N-CA 120.515 -0.474 . . . . 0.0 111.038 177.725 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -128.56 179.56 5.6 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.016 0.436 . . . . 0.0 111.206 -173.855 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 3.4 mp -116.23 122.26 69.31 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 N-CA-C 109.084 -0.71 . . . . 0.0 109.084 175.483 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 53.2 tttm 65.82 104.19 0.03 OUTLIER Pre-proline 0 C--O 1.234 0.284 0 O-C-N 123.829 0.706 . . . . 0.0 111.822 -178.462 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 22.3 Cg_exo -65.88 152.35 81.72 Favored 'Trans proline' 0 C--O 1.235 0.374 0 C-N-CA 122.699 2.266 . . . . 0.0 111.386 174.225 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 27.9 t -60.51 142.03 55.78 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.282 178.462 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 86.6 mt -64.55 -16.64 62.94 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.568 -0.742 . . . . 0.0 112.264 -172.538 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -65.15 -47.81 77.17 Favored Glycine 0 N--CA 1.449 -0.457 0 C-N-CA 120.613 -0.803 . . . . 0.0 111.326 174.166 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.448 ' O ' ' HB2' ' A' ' 69' ' ' TRP . 3.2 mm? -66.15 -36.39 82.99 Favored 'General case' 0 C--O 1.222 -0.351 0 N-CA-C 109.78 -0.452 . . . . 0.0 109.78 176.779 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 45.4 mm -64.02 -37.99 81.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.036 179.125 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 47.1 t30 -65.79 -44.37 85.94 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.704 179.131 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.408 ' O ' HG23 ' A' ' 72' ' ' VAL . 67.5 ttt180 -81.46 -17.9 47.1 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.0 0.428 . . . . 0.0 110.371 -177.548 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 69' ' ' TRP . . . . . 0.529 ' NE1' HD22 ' A' ' 51' ' ' LEU . 19.0 t90 -54.75 -53.06 60.05 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.403 -0.817 . . . . 0.0 110.772 177.953 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -82.33 15.61 28.09 Favored Glycine 0 N--CA 1.449 -0.443 0 C-N-CA 120.839 -0.696 . . . . 0.0 112.211 178.636 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 19.6 m -122.07 11.98 10.31 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.302 0.573 . . . . 0.0 110.082 179.034 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.614 HG13 ' HB ' ' A' ' 44' ' ' ILE . 46.1 t -81.93 -15.58 12.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 122.281 1.039 . . . . 0.0 111.12 -178.83 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 83.9 115.85 0.64 Allowed Glycine 0 C--N 1.302 -1.322 0 CA-C-N 114.203 -1.362 . . . . 0.0 110.019 -169.466 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.61 ' O ' ' HG3' ' A' ' 78' ' ' MET . 9.8 ptpp? -63.84 -21.58 66.51 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.062 0.458 . . . . 0.0 110.056 -176.794 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 21.4 tptm -66.39 -54.82 20.03 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.082 172.75 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.496 ' O ' HG13 ' A' ' 80' ' ' ILE . 14.5 tp10 -57.18 -43.23 82.45 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.441 -0.8 . . . . 0.0 109.68 176.813 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.548 ' O ' HG12 ' A' ' 81' ' ' ILE . . . -55.58 -44.86 77.31 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.527 -0.761 . . . . 0.0 111.156 178.713 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 78' ' ' MET . . . . . 0.61 ' HG3' ' O ' ' A' ' 74' ' ' LYS . 67.8 mtt -58.15 -43.05 87.15 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-O 120.999 0.428 . . . . 0.0 110.541 178.6 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -68.62 -38.06 80.23 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.816 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.502 ' CD1' ' HA ' ' A' ' 45' ' ' ARG . 86.9 mt -63.28 -50.16 80.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.38 176.82 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.548 HG12 ' O ' ' A' ' 77' ' ' ALA . 48.4 mm -60.52 -40.75 85.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.685 -179.861 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 24.8 ttmm -59.06 -50.97 72.06 Favored 'General case' 0 C--O 1.237 0.417 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.666 178.241 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 63.2 tttm -66.88 -38.95 87.27 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.523 179.872 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' PHE . . . . . 0.607 ' O ' ' HG ' ' A' ' 88' ' ' LEU . 0.3 OUTLIER -56.06 -52.67 63.43 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.015 -0.538 . . . . 0.0 110.302 -179.606 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -61.94 -36.2 80.7 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.917 179.658 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 39.7 ttmt -65.8 -48.63 71.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.615 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' ASP . . . . . 0.578 ' O ' ' HG2' ' A' ' 91' ' ' MET . 1.5 m-20 -63.39 -39.83 95.58 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.69 177.868 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.607 ' HG ' ' O ' ' A' ' 84' ' ' PHE . 85.0 mt -58.73 -43.08 90.08 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.903 0.382 . . . . 0.0 110.818 179.398 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -62.76 -41.49 99.24 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.6 178.424 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 90' ' ' ALA . . . . . 0.573 ' O ' HG13 ' A' ' 94' ' ' ILE . . . -65.49 -44.28 87.55 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.619 178.433 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 91' ' ' MET . . . . . 0.578 ' HG2' ' O ' ' A' ' 87' ' ' ASP . 25.6 mmt -61.33 -41.21 96.65 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.677 179.491 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 55.8 tp -57.6 -45.21 85.6 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.169 0.509 . . . . 0.0 110.496 177.871 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 96.5 mtt180 -60.87 -34.36 74.5 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.57 177.713 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 0.573 HG13 ' O ' ' A' ' 90' ' ' ALA . 48.3 mt -73.92 -32.69 34.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.879 178.904 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.507 HG12 ' O ' ' A' ' 91' ' ' MET . 18.5 mm -56.15 -43.07 74.99 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.287 0 CA-C-O 121.363 0.601 . . . . 0.0 109.562 174.283 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 35.0 m-80 -60.78 -43.07 98.53 Favored 'General case' 0 C--O 1.237 0.395 0 CA-C-N 115.298 -0.865 . . . . 0.0 110.357 174.588 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -68.51 -24.07 64.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.469 -0.787 . . . . 0.0 111.96 -178.508 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 98' ' ' ARG . . . . . 0.551 ' HG2' ' O ' ' A' ' 94' ' ' ILE . 27.1 mmm180 -85.25 13.01 6.94 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.878 0.37 . . . . 0.0 111.012 -177.719 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.2 -57.8 0.96 Allowed 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.995 -179.057 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -169.7 -43.29 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.692 -176.583 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 47.1 mmtm -80.41 56.66 2.6 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.74 -175.635 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.17 59.71 2.83 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.508 0.671 . . . . 0.0 110.37 173.431 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 103' ' ' ARG . . . . . 0.425 ' HA ' ' NH1' ' A' ' 104' ' ' ARG . 9.7 ptm180 -129.3 -179.83 5.36 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.372 -0.831 . . . . 0.0 110.622 -176.531 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 104' ' ' ARG . . . . . 0.466 ' O ' ' HG2' ' A' ' 104' ' ' ARG . 0.2 OUTLIER . . . . . 0 C--O 1.247 0.943 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.278 177.654 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.018 0 CA-C-O 120.869 0.366 . . . . 0.0 110.394 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 36' ' ' GLY . . . . . . . . . . . . . . . -61.77 -34.18 87.78 Favored Glycine 0 N--CA 1.45 -0.425 0 CA-C-N 116.091 -0.504 . . . . 0.0 113.043 -176.167 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 10.1 mp -76.06 -11.84 60.02 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-O 120.701 0.286 . . . . 0.0 111.274 -178.383 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 58.3 tp -95.19 -38.32 10.64 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.819 0.342 . . . . 0.0 110.4 -179.675 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -89.9 -13.96 35.25 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.246 -178.799 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . 85.65 34.85 12.59 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.788 -0.72 . . . . 0.0 111.903 179.331 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 41' ' ' HIS . . . . . . . . . . . . . 29.1 t-80 -140.02 83.06 1.9 Allowed 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 120.999 0.428 . . . . 0.0 110.05 -177.022 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 42' ' ' GLY . . . . . . . . . . . . . . . -99.49 157.71 19.87 Favored Glycine 0 N--CA 1.449 -0.436 0 C-N-CA 120.867 -0.682 . . . . 0.0 111.539 179.478 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 43' ' ' PRO . . . . . . . . . . . . . 51.5 Cg_exo -55.78 168.74 1.56 Allowed 'Trans proline' 0 C--N 1.346 0.411 0 C-N-CA 123.168 2.578 . . . . 0.0 113.073 -179.629 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 44' ' ' ILE . . . . . 0.615 ' HB ' HG13 ' B' ' 72' ' ' VAL . 25.0 pt -54.07 -41.67 51.51 Favored 'Isoleucine or valine' 0 C--O 1.242 0.684 0 N-CA-C 112.665 0.617 . . . . 0.0 112.665 -171.245 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 45' ' ' ARG . . . . . 0.505 ' HA ' ' CD1' ' B' ' 80' ' ' ILE . 55.9 mtp180 -61.81 -40.9 96.88 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-O 121.339 0.59 . . . . 0.0 110.109 177.624 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 46' ' ' MET . . . . . 0.626 ' O ' HG13 ' B' ' 50' ' ' ILE . 1.8 mpt? -68.23 -30.47 69.54 Favored 'General case' 0 C--O 1.219 -0.525 0 CA-C-N 115.547 -0.752 . . . . 0.0 110.604 177.438 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 47' ' ' VAL . . . . . 0.419 ' HB ' ' O ' ' B' ' 44' ' ' ILE . 95.1 t -56.22 -47.46 80.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.63 0.252 . . . . 0.0 110.354 177.199 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 7.3 mp -65.36 -37.12 86.07 Favored 'General case' 0 N--CA 1.464 0.249 0 C-N-CA 120.752 -0.379 . . . . 0.0 111.344 176.746 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -64.02 -44.46 92.49 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.917 0.389 . . . . 0.0 111.036 177.248 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 50' ' ' ILE . . . . . 0.626 HG13 ' O ' ' B' ' 46' ' ' MET . 59.9 mt -65.91 -34.74 72.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.019 178.271 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 51' ' ' LEU . . . . . 0.528 HD22 ' NE1' ' B' ' 69' ' ' TRP . 4.5 tp -58.45 -54.81 42.84 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.442 175.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -54.65 -43.54 72.46 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-N 115.998 -0.547 . . . . 0.0 110.434 179.705 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 53' ' ' PHE . . . . . . . . . . . . . 74.1 t80 -53.12 -59.8 4.09 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.452 -0.795 . . . . 0.0 109.973 174.049 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 54' ' ' LEU . . . . . . . . . . . . . 95.7 mt -66.6 -8.51 27.64 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 112.576 0.584 . . . . 0.0 112.576 -175.944 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 55' ' ' ARG . . . . . 0.473 ' HG2' ' O ' ' B' ' 51' ' ' LEU . 17.6 mmm180 -94.81 -40.16 9.89 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.883 0.373 . . . . 0.0 111.475 178.328 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 56' ' ' PHE . . . . . . . . . . . . . 73.1 m-85 -94.86 -15.25 23.85 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.365 -0.379 . . . . 0.0 111.49 -177.529 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 57' ' ' THR . . . . . 0.497 ' HA ' ' HG3' ' A' ' 46' ' ' MET . 34.0 p -104.08 -33.52 8.74 Favored 'General case' 0 C--N 1.326 -0.448 0 C-N-CA 120.528 -0.469 . . . . 0.0 111.031 177.574 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -128.43 179.48 5.63 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.164 0.507 . . . . 0.0 111.134 -173.843 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 59' ' ' ILE . . . . . . . . . . . . . 3.3 mp -116.07 122.2 69.11 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-N 115.616 -0.72 . . . . 0.0 109.237 175.249 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 53.2 tttm 65.69 104.51 0.03 OUTLIER Pre-proline 0 C--O 1.234 0.276 0 O-C-N 123.919 0.762 . . . . 0.0 111.804 -178.305 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 61' ' ' PRO . . . . . . . . . . . . . 21.9 Cg_exo -66.13 151.8 82.78 Favored 'Trans proline' 0 C--O 1.236 0.394 0 C-N-CA 122.693 2.262 . . . . 0.0 111.467 174.044 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 24.6 t -59.88 141.64 55.07 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.262 178.458 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 87.2 mt -64.5 -16.41 62.47 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.644 -0.707 . . . . 0.0 112.069 -172.565 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -65.28 -47.44 80.02 Favored Glycine 0 N--CA 1.449 -0.439 0 C-N-CA 120.484 -0.865 . . . . 0.0 111.361 174.18 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 65' ' ' LEU . . . . . 0.441 ' O ' ' HB2' ' B' ' 69' ' ' TRP . 3.2 mm? -66.52 -36.46 82.75 Favored 'General case' 0 C--O 1.221 -0.424 0 N-CA-C 109.753 -0.462 . . . . 0.0 109.753 176.674 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 66' ' ' ILE . . . . . . . . . . . . . 45.4 mm -64.01 -37.71 80.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.044 179.184 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 67' ' ' ASN . . . . . . . . . . . . . 46.4 t30 -66.03 -44.35 84.95 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.616 179.033 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 68' ' ' ARG . . . . . . . . . . . . . 67.2 ttt180 -81.35 -17.93 47.4 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.051 0.453 . . . . 0.0 110.4 -177.513 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 69' ' ' TRP . . . . . 0.528 ' NE1' HD22 ' B' ' 51' ' ' LEU . 19.0 t90 -54.86 -53.08 59.96 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.337 -0.847 . . . . 0.0 110.753 178.066 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . -81.87 15.0 28.71 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.82 -0.705 . . . . 0.0 112.168 178.54 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 71' ' ' SER . . . . . . . . . . . . . 19.9 m -121.97 12.63 10.47 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.106 0.479 . . . . 0.0 110.167 179.135 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 72' ' ' VAL . . . . . 0.615 HG13 ' HB ' ' B' ' 44' ' ' ILE . 45.1 t -82.49 -15.47 11.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-O 122.237 1.018 . . . . 0.0 111.074 -179.036 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 73' ' ' GLY . . . . . . . . . . . . . . . 83.83 115.92 0.63 Allowed Glycine 0 C--N 1.302 -1.317 0 CA-C-N 114.164 -1.38 . . . . 0.0 110.083 -169.51 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 74' ' ' LYS . . . . . 0.595 ' O ' ' HG3' ' B' ' 78' ' ' MET . 9.8 ptpp? -63.43 -21.96 66.6 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 117.033 0.417 . . . . 0.0 110.198 -176.961 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 75' ' ' LYS . . . . . . . . . . . . . 21.6 tptm -66.26 -54.84 20.19 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.031 172.805 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 76' ' ' GLU . . . . . 0.494 ' O ' HG13 ' B' ' 80' ' ' ILE . 13.9 tp10 -57.22 -42.98 82.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.483 -0.78 . . . . 0.0 109.698 176.949 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 77' ' ' ALA . . . . . 0.553 ' O ' HG12 ' B' ' 81' ' ' ILE . . . -55.74 -44.93 78.03 Favored 'General case' 0 N--CA 1.454 -0.25 0 CA-C-N 115.531 -0.759 . . . . 0.0 111.163 178.572 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 78' ' ' MET . . . . . 0.595 ' HG3' ' O ' ' B' ' 74' ' ' LYS . 68.0 mtt -58.0 -43.09 86.44 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-O 120.854 0.359 . . . . 0.0 110.525 178.665 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 79' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -68.53 -38.22 80.68 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.748 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 80' ' ' ILE . . . . . 0.505 ' CD1' ' HA ' ' B' ' 45' ' ' ARG . 87.2 mt -63.3 -50.26 79.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.424 176.852 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 81' ' ' ILE . . . . . 0.553 HG12 ' O ' ' B' ' 77' ' ' ALA . 48.4 mm -60.44 -40.43 84.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.796 -179.906 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 82' ' ' LYS . . . . . . . . . . . . . 24.8 ttmm -59.43 -50.97 71.88 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.547 178.199 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 83' ' ' LYS . . . . . . . . . . . . . 63.1 tttm -66.85 -38.82 87.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.522 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 84' ' ' PHE . . . . . 0.606 ' O ' ' HG ' ' B' ' 88' ' ' LEU . 0.3 OUTLIER -56.24 -52.64 63.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.251 -179.51 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 85' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -61.8 -36.66 81.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.824 179.578 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 86' ' ' LYS . . . . . . . . . . . . . 39.6 ttmt -65.27 -49.16 70.65 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.708 179.812 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 87' ' ' ASP . . . . . 0.587 ' O ' ' HG2' ' B' ' 91' ' ' MET . 1.3 m-20 -63.09 -39.68 95.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.75 177.796 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 88' ' ' LEU . . . . . 0.606 ' HG ' ' O ' ' B' ' 84' ' ' PHE . 84.9 mt -58.79 -43.15 90.39 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-O 120.884 0.373 . . . . 0.0 110.824 179.368 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -62.86 -41.37 99.35 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.531 178.61 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 90' ' ' ALA . . . . . 0.568 ' O ' HG13 ' B' ' 94' ' ' ILE . . . -65.44 -44.39 87.44 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.673 178.357 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 91' ' ' MET . . . . . 0.587 ' HG2' ' O ' ' B' ' 87' ' ' ASP . 25.7 mmt -61.3 -41.14 96.49 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.681 179.402 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 92' ' ' LEU . . . . . . . . . . . . . 55.9 tp -57.58 -45.15 85.59 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.173 0.511 . . . . 0.0 110.506 177.737 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 93' ' ' ARG . . . . . . . . . . . . . 96.1 mtt180 -61.01 -34.33 74.66 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.521 177.785 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 94' ' ' ILE . . . . . 0.568 HG13 ' O ' ' B' ' 90' ' ' ALA . 48.0 mt -73.97 -32.59 33.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.783 178.956 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 95' ' ' ILE . . . . . 0.513 HD11 ' NE1' ' A' ' 69' ' ' TRP . 18.5 mm -56.19 -43.17 75.57 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.331 0 CA-C-O 121.337 0.589 . . . . 0.0 109.603 174.295 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 96' ' ' ASN . . . . . 0.403 ' OD1' ' HD3' ' A' ' 74' ' ' LYS . 35.3 m-80 -60.69 -42.98 98.23 Favored 'General case' 0 C--O 1.236 0.393 0 CA-C-N 115.288 -0.869 . . . . 0.0 110.346 174.629 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 97' ' ' ALA . . . . . . . . . . . . . . . -68.23 -24.95 64.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.5 -0.773 . . . . 0.0 111.933 -178.511 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 98' ' ' ARG . . . . . 0.542 ' HG2' ' O ' ' B' ' 94' ' ' ILE . 27.3 mmm180 -84.46 12.59 6.62 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.92 0.391 . . . . 0.0 111.013 -177.447 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 99' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.95 -57.82 0.97 Allowed 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.991 -178.896 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 100' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -169.64 -43.31 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.723 -176.474 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 101' ' ' LYS . . . . . . . . . . . . . 47.1 mmtm -80.49 56.89 2.7 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.744 -175.755 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 102' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.34 59.23 2.8 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.639 -0.71 . . . . 0.0 110.452 173.477 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 103' ' ' ARG . . . . . 0.435 ' HA ' ' NH1' ' B' ' 104' ' ' ARG . 9.6 ptm180 -128.83 -179.72 5.25 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.224 -0.898 . . . . 0.0 110.778 -176.47 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 104' ' ' ARG . . . . . 0.456 ' HG2' ' O ' ' B' ' 104' ' ' ARG . 0.2 OUTLIER . . . . . 0 C--O 1.246 0.883 0 CA-C-N 116.124 -0.489 . . . . 0.0 109.965 177.544 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 0.992 0 CA-C-O 121.042 0.449 . . . . 0.0 110.117 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -60.77 -35.55 90.14 Favored Glycine 0 N--CA 1.451 -0.365 0 CA-C-N 115.914 -0.585 . . . . 0.0 113.544 -174.034 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -81.4 -17.56 48.54 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 120.778 0.323 . . . . 0.0 110.83 -177.242 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 6.7 tt -90.32 -44.34 9.76 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 109.821 -0.437 . . . . 0.0 109.821 -177.863 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -87.32 -16.18 35.83 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.069 -179.194 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 80.17 15.93 77.62 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.742 -0.742 . . . . 0.0 111.995 179.835 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 69.4 m-70 -114.0 108.12 16.59 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.735 0.302 . . . . 0.0 110.386 -179.181 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -100.99 130.17 10.14 Favored Glycine 0 N--CA 1.445 -0.739 0 C-N-CA 120.649 -0.786 . . . . 0.0 112.525 -177.738 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.551 ' HD2' ' SD ' ' A' ' 46' ' ' MET . 43.9 Cg_endo -68.51 174.15 8.78 Favored 'Trans proline' 0 N--CA 1.463 -0.281 0 C-N-CA 122.658 2.239 . . . . 0.0 111.792 175.365 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 21.3 pt -49.59 -39.83 14.53 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.416 0 N-CA-C 113.023 0.749 . . . . 0.0 113.023 -173.29 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.511 ' HA ' HD13 ' A' ' 80' ' ' ILE . 98.5 mtt180 -63.73 -44.62 93.02 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 121.272 0.558 . . . . 0.0 110.826 179.545 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' MET . . . . . 0.602 ' HG2' ' HA ' ' B' ' 57' ' ' THR . 62.2 mtp -72.18 -23.29 61.25 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.971 179.764 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.514 HG23 ' O ' ' A' ' 43' ' ' PRO . 93.0 t -63.31 -48.01 89.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.418 -0.356 . . . . 0.0 110.294 175.258 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 64.6 mt -66.95 -32.74 74.2 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.474 -0.33 . . . . 0.0 110.688 178.274 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -64.77 -51.65 61.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.174 177.542 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.437 ' O ' ' HB3' ' A' ' 53' ' ' PHE . 15.0 tt -71.38 -24.08 23.52 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 CA-C-O 121.024 0.44 . . . . 0.0 110.295 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.425 ' O ' ' HG2' ' A' ' 55' ' ' ARG . 14.7 tp -60.59 -57.42 12.78 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.074 -0.512 . . . . 0.0 109.864 174.839 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -58.78 -38.06 77.68 Favored 'General case' 0 CA--C 1.519 -0.213 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.494 178.709 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.477 ' HB2' ' HB2' ' B' ' 53' ' ' PHE . 43.0 t80 -51.3 -61.18 2.39 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.61 -0.723 . . . . 0.0 109.883 173.517 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 91.3 mt -68.12 -16.31 63.95 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.91 -177.958 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.425 ' HG2' ' O ' ' A' ' 51' ' ' LEU . 23.9 mmm180 -75.39 -46.31 33.75 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.023 0.44 . . . . 0.0 111.271 177.647 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' PHE . . . . . 0.622 ' CZ ' ' HA ' ' B' ' 84' ' ' PHE . 89.2 m-85 -96.24 -6.4 38.13 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.539 -174.645 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' THR . . . . . 0.608 ' HA ' ' HG2' ' B' ' 46' ' ' MET . 81.6 p -102.38 -34.36 9.21 Favored 'General case' 0 C--N 1.325 -0.484 0 C-N-CA 120.523 -0.471 . . . . 0.0 111.185 175.105 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -135.87 -176.61 4.36 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.575 -171.456 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 70.5 mt -116.19 127.6 73.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-N 115.719 -0.673 . . . . 0.0 109.913 178.523 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 86.0 tttt 57.32 83.74 0.22 Allowed Pre-proline 0 N--CA 1.465 0.305 0 O-C-N 123.649 0.593 . . . . 0.0 110.158 -177.647 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' PRO . . . . . 0.432 ' HB2' ' H ' ' A' ' 62' ' ' SER . 81.5 Cg_exo -40.84 -82.32 0.02 OUTLIER 'Trans proline' 0 C--N 1.348 0.549 0 C-N-CA 124.022 3.148 . . . . 0.0 114.778 -168.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.565 ' O ' HG12 ' A' ' 66' ' ' ILE . 71.2 m -166.75 135.84 2.9 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 109.346 -0.613 . . . . 0.0 109.346 -177.317 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -64.4 -31.19 72.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.573 -175.947 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -68.38 -40.34 87.03 Favored Glycine 0 C--O 1.237 0.342 0 C-N-CA 120.559 -0.829 . . . . 0.0 111.677 177.048 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.489 HD23 ' HB2' ' A' ' 62' ' ' SER . 4.5 mm? -67.79 -38.11 82.91 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 110.174 -0.306 . . . . 0.0 110.174 177.066 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.565 HG12 ' O ' ' A' ' 62' ' ' SER . 48.0 mm -66.48 -32.22 57.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 121.268 0.556 . . . . 0.0 110.339 176.715 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 27.1 t-20 -62.45 -43.71 98.16 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.684 176.685 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 42.3 ttm180 -85.25 -14.95 45.11 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.238 0.542 . . . . 0.0 110.467 -178.793 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' TRP . . . . . 0.519 ' NE1' HD11 ' B' ' 95' ' ' ILE . 13.7 t90 -56.76 -48.32 78.1 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.397 -0.819 . . . . 0.0 110.849 179.358 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -77.96 -3.05 83.96 Favored Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.886 -0.674 . . . . 0.0 112.49 178.581 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 22.7 t -91.45 -14.13 31.07 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 109.672 -0.492 . . . . 0.0 109.672 178.297 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 68.0 t -68.87 130.85 34.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 115.845 -0.616 . . . . 0.0 109.608 175.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -61.16 122.01 28.19 Favored Glycine 0 N--CA 1.44 -1.074 0 N-CA-C 110.456 -1.058 . . . . 0.0 110.456 175.747 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.513 ' O ' ' HG2' ' A' ' 78' ' ' MET . 11.9 ptmm? -59.35 -31.62 69.37 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.692 0.246 . . . . 0.0 111.129 -176.056 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 51.4 tptt -64.34 -47.51 79.08 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.868 0.366 . . . . 0.0 110.13 173.648 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.475 ' O ' HG13 ' A' ' 80' ' ' ILE . 27.9 tp10 -60.11 -44.82 94.59 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.689 -0.687 . . . . 0.0 109.604 177.758 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.414 ' O ' HG12 ' A' ' 81' ' ' ILE . . . -57.09 -43.7 82.44 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.736 178.314 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 78' ' ' MET . . . . . 0.513 ' HG2' ' O ' ' A' ' 74' ' ' LYS . 68.9 mmm -55.83 -42.1 75.24 Favored 'General case' 0 C--O 1.235 0.341 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.751 177.579 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -73.61 -40.86 63.49 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.893 -179.722 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.511 HD13 ' HA ' ' A' ' 45' ' ' ARG . 89.9 mt -60.98 -50.77 79.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.574 178.164 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.414 HG12 ' O ' ' A' ' 77' ' ' ALA . 45.9 mm -62.68 -36.63 76.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.018 -178.692 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 82' ' ' LYS . . . . . 0.436 ' O ' ' HD3' ' A' ' 86' ' ' LYS . 4.5 tmmm? -61.19 -53.48 56.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.94 0.4 . . . . 0.0 110.09 178.167 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 14.7 ptmm? -72.7 -19.98 61.31 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.588 -177.732 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' PHE . . . . . 0.633 ' HA ' ' CZ ' ' B' ' 56' ' ' PHE . 1.8 t80 -67.94 -52.36 37.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.949 -0.569 . . . . 0.0 109.645 177.448 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -61.9 -39.91 93.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.995 -179.709 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' LYS . . . . . 0.436 ' HD3' ' O ' ' A' ' 82' ' ' LYS . 5.8 mptp? -64.86 -37.28 87.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.588 -179.609 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -72.95 -37.17 67.21 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 109.854 -0.424 . . . . 0.0 109.854 178.593 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.503 ' HG ' ' O ' ' A' ' 84' ' ' PHE . 94.3 mt -59.48 -44.14 93.11 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.15 175.076 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.538 ' O ' ' HG3' ' A' ' 93' ' ' ARG . . . -61.08 -45.49 94.53 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.733 178.322 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 90' ' ' ALA . . . . . 0.585 ' O ' HG13 ' A' ' 94' ' ' ILE . . . -60.44 -51.13 70.8 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.898 178.835 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 91' ' ' MET . . . . . 0.433 ' O ' HG12 ' A' ' 95' ' ' ILE . 74.7 mtm -62.8 -35.47 79.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.023 -179.433 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 58.2 tp -59.13 -47.43 85.31 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.045 0.45 . . . . 0.0 110.595 175.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 93' ' ' ARG . . . . . 0.538 ' HG3' ' O ' ' A' ' 89' ' ' ALA . 21.7 mtm180 -61.05 -32.58 72.21 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.466 178.956 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 0.625 ' O ' ' HG2' ' A' ' 98' ' ' ARG . 25.4 mt -72.39 -32.46 42.31 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.372 0 C-N-CA 120.807 -0.357 . . . . 0.0 110.693 178.444 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.516 HD11 ' NE1' ' B' ' 69' ' ' TRP . 15.7 mm -56.52 -44.48 80.7 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.424 0 N-CA-C 109.202 -0.666 . . . . 0.0 109.202 173.091 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 96' ' ' ASN . . . . . 0.408 ' HB2' ' O ' ' A' ' 93' ' ' ARG . 36.4 m-80 -57.36 -39.92 76.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.184 -0.916 . . . . 0.0 110.117 174.689 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -78.57 -8.31 58.47 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.505 -0.77 . . . . 0.0 112.55 -177.536 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 98' ' ' ARG . . . . . 0.625 ' HG2' ' O ' ' A' ' 94' ' ' ILE . 31.5 mmm180 -81.45 -11.6 59.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.974 0.416 . . . . 0.0 110.282 179.079 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 28.0 mtpp -109.34 -76.24 0.61 Allowed 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.726 179.045 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 14.6 pt-20 -157.02 13.24 0.25 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.707 0.289 . . . . 0.0 111.227 -178.325 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 95.5 mttt 59.26 46.13 13.24 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 115.899 -0.591 . . . . 0.0 111.381 -178.573 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 24.9 ttmm -85.55 104.78 15.63 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.177 177.671 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 7.0 mpt_? -85.68 120.43 27.11 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.46 -0.336 . . . . 0.0 110.317 179.012 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 104' ' ' ARG . . . . . 0.675 ' HD3' ' O ' ' A' ' 104' ' ' ARG . 0.0 OUTLIER . . . . . 0 C--O 1.245 0.86 0 CA-C-O 118.947 -0.549 . . . . 0.0 110.473 178.849 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 0.949 0 CA-C-O 121.112 0.482 . . . . 0.0 110.058 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 36' ' ' GLY . . . . . . . . . . . . . . . -60.56 -35.38 89.06 Favored Glycine 0 N--CA 1.45 -0.382 0 CA-C-N 115.85 -0.614 . . . . 0.0 113.495 -173.881 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -81.36 -18.11 46.75 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 120.809 0.337 . . . . 0.0 110.801 -177.104 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 6.7 tt -89.88 -44.45 9.91 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 109.792 -0.447 . . . . 0.0 109.792 -177.67 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -87.03 -16.55 35.31 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.065 -179.141 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . 80.61 15.18 78.58 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.68 -0.772 . . . . 0.0 112.015 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 41' ' ' HIS . . . . . . . . . . . . . 68.9 m-70 -113.47 108.9 17.82 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.738 0.304 . . . . 0.0 110.325 -179.064 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 42' ' ' GLY . . . . . . . . . . . . . . . -101.69 129.79 10.01 Favored Glycine 0 N--CA 1.444 -0.813 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.514 -177.437 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 43' ' ' PRO . . . . . 0.561 ' HD2' ' SD ' ' B' ' 46' ' ' MET . 43.7 Cg_endo -68.48 173.96 9.03 Favored 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.609 2.206 . . . . 0.0 111.796 175.536 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 44' ' ' ILE . . . . . 0.417 ' HB ' HG13 ' B' ' 72' ' ' VAL . 21.0 pt -49.61 -39.51 14.26 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.457 0 N-CA-C 113.08 0.77 . . . . 0.0 113.08 -173.033 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 45' ' ' ARG . . . . . 0.495 ' HA ' HD13 ' B' ' 80' ' ' ILE . 98.6 mtt180 -63.91 -44.66 92.27 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.244 0.545 . . . . 0.0 110.813 179.581 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 46' ' ' MET . . . . . 0.608 ' HG2' ' HA ' ' A' ' 57' ' ' THR . 62.5 mtp -72.13 -23.35 61.3 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.984 179.673 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 47' ' ' VAL . . . . . 0.503 HG23 ' O ' ' B' ' 43' ' ' PRO . 92.4 t -63.34 -47.92 89.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.429 -0.351 . . . . 0.0 110.326 175.198 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 64.8 mt -67.03 -32.73 74.14 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.502 -0.317 . . . . 0.0 110.684 178.218 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -64.72 -51.6 61.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.192 177.462 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 50' ' ' ILE . . . . . 0.43 ' O ' ' HB3' ' B' ' 53' ' ' PHE . 14.9 tt -71.46 -24.11 23.41 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-O 121.001 0.429 . . . . 0.0 110.287 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 51' ' ' LEU . . . . . 0.428 ' O ' ' HG2' ' B' ' 55' ' ' ARG . 14.6 tp -60.58 -57.29 13.34 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.129 -0.487 . . . . 0.0 109.829 174.848 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -58.82 -38.17 78.05 Favored 'General case' 0 CA--C 1.518 -0.286 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.459 178.691 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 53' ' ' PHE . . . . . 0.477 ' HB2' ' HB2' ' A' ' 53' ' ' PHE . 42.9 t80 -51.23 -61.1 2.44 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.633 -0.712 . . . . 0.0 109.834 173.569 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 54' ' ' LEU . . . . . . . . . . . . . 92.2 mt -68.22 -16.4 63.96 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.902 -177.804 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 55' ' ' ARG . . . . . 0.428 ' HG2' ' O ' ' B' ' 51' ' ' LEU . 23.9 mmm180 -75.4 -46.31 33.68 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.927 0.394 . . . . 0.0 111.272 177.634 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 56' ' ' PHE . . . . . 0.633 ' CZ ' ' HA ' ' A' ' 84' ' ' PHE . 89.4 m-85 -96.15 -6.38 38.48 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.59 -174.74 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 57' ' ' THR . . . . . 0.602 ' HA ' ' HG2' ' A' ' 46' ' ' MET . 81.7 p -102.19 -34.62 9.19 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.133 0.492 . . . . 0.0 111.211 175.041 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -135.56 -176.95 4.45 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.828 -0.624 . . . . 0.0 111.499 -171.267 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 59' ' ' ILE . . . . . . . . . . . . . 70.2 mt -116.14 127.6 73.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 115.715 -0.675 . . . . 0.0 109.856 178.55 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 86.0 tttt 57.1 83.99 0.21 Allowed Pre-proline 0 N--CA 1.465 0.296 0 O-C-N 123.58 0.55 . . . . 0.0 110.23 -177.46 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 61' ' ' PRO . . . . . . . . . . . . . 82.7 Cg_exo -40.83 -82.66 0.02 OUTLIER 'Trans proline' 0 C--N 1.348 0.547 0 C-N-CA 124.025 3.15 . . . . 0.0 114.8 -169.19 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 62' ' ' SER . . . . . 0.574 ' O ' HG12 ' B' ' 66' ' ' ILE . 72.5 m -166.55 136.17 3.1 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 109.3 -0.629 . . . . 0.0 109.3 -177.443 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -64.58 -31.19 72.3 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.538 -175.833 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -68.27 -40.76 87.36 Favored Glycine 0 N--CA 1.452 -0.237 0 C-N-CA 120.667 -0.777 . . . . 0.0 111.645 176.897 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 65' ' ' LEU . . . . . 0.482 HD23 ' HB2' ' B' ' 62' ' ' SER . 4.5 mm? -67.62 -38.11 83.45 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 110.086 -0.338 . . . . 0.0 110.086 177.192 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 66' ' ' ILE . . . . . 0.574 HG12 ' O ' ' B' ' 62' ' ' SER . 48.3 mm -66.43 -32.28 57.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 121.256 0.55 . . . . 0.0 110.322 176.721 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 67' ' ' ASN . . . . . . . . . . . . . 27.2 t-20 -62.34 -43.82 97.93 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.768 176.606 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 68' ' ' ARG . . . . . . . . . . . . . 42.3 ttm180 -85.26 -14.64 46.05 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.281 0.562 . . . . 0.0 110.491 -178.83 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 69' ' ' TRP . . . . . 0.516 ' NE1' HD11 ' A' ' 95' ' ' ILE . 14.0 t90 -57.11 -48.23 79.13 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.378 -0.828 . . . . 0.0 110.869 179.431 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . -78.08 -3.0 84.36 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.854 -0.689 . . . . 0.0 112.367 178.578 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 71' ' ' SER . . . . . . . . . . . . . 18.9 t -91.54 -14.07 30.97 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 109.68 -0.489 . . . . 0.0 109.68 178.37 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 72' ' ' VAL . . . . . 0.417 HG13 ' HB ' ' B' ' 44' ' ' ILE . 66.4 t -68.58 130.55 33.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 115.824 -0.625 . . . . 0.0 109.571 175.822 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 73' ' ' GLY . . . . . . . . . . . . . . . -60.77 121.95 28.21 Favored Glycine 0 N--CA 1.441 -0.971 0 N-CA-C 110.379 -1.089 . . . . 0.0 110.379 175.496 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 74' ' ' LYS . . . . . 0.518 ' O ' ' HG2' ' B' ' 78' ' ' MET . 11.8 ptmm? -59.56 -31.49 69.48 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.701 0.25 . . . . 0.0 111.203 -175.939 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 75' ' ' LYS . . . . . . . . . . . . . 51.2 tptt -64.36 -47.38 79.5 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.883 0.373 . . . . 0.0 110.203 173.646 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 76' ' ' GLU . . . . . 0.495 ' O ' HG13 ' B' ' 80' ' ' ILE . 26.7 tp10 -60.29 -44.52 95.3 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.697 -0.683 . . . . 0.0 109.716 177.602 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 77' ' ' ALA . . . . . 0.419 ' O ' HG12 ' B' ' 81' ' ' ILE . . . -57.3 -43.62 83.38 Favored 'General case' 0 N--CA 1.456 -0.146 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.785 178.296 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 78' ' ' MET . . . . . 0.518 ' HG2' ' O ' ' B' ' 74' ' ' LYS . 69.1 mmm -55.94 -42.29 75.95 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.675 177.669 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 79' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -73.31 -40.92 64.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.865 -179.685 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 80' ' ' ILE . . . . . 0.495 HG13 ' O ' ' B' ' 76' ' ' GLU . 90.3 mt -60.96 -50.76 79.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.524 178.227 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 81' ' ' ILE . . . . . 0.419 HG12 ' O ' ' B' ' 77' ' ' ALA . 46.0 mm -62.77 -36.49 75.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.039 -178.673 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 82' ' ' LYS . . . . . 0.424 ' O ' ' HD3' ' B' ' 86' ' ' LYS . 4.5 tmmm? -61.28 -53.65 54.08 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-O 120.986 0.422 . . . . 0.0 110.086 178.105 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 83' ' ' LYS . . . . . . . . . . . . . 14.7 ptmm? -72.42 -20.09 61.48 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.588 -177.873 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 84' ' ' PHE . . . . . 0.622 ' HA ' ' CZ ' ' A' ' 56' ' ' PHE . 1.8 t80 -67.84 -52.51 35.89 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.036 -0.529 . . . . 0.0 109.654 177.46 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 85' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -61.81 -39.95 93.56 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.979 -179.733 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 86' ' ' LYS . . . . . 0.424 ' HD3' ' O ' ' B' ' 82' ' ' LYS . 5.8 mptp? -64.62 -37.67 88.38 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.522 -179.643 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 87' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -72.73 -37.3 67.79 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.911 0.386 . . . . 0.0 109.964 178.733 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 88' ' ' LEU . . . . . 0.484 ' HG ' ' O ' ' B' ' 84' ' ' PHE . 94.2 mt -59.27 -43.89 92.46 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.868 -0.606 . . . . 0.0 110.161 175.067 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 89' ' ' ALA . . . . . 0.524 ' O ' ' HG3' ' B' ' 93' ' ' ARG . . . -61.3 -45.59 93.81 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.687 178.301 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 90' ' ' ALA . . . . . 0.595 ' O ' HG13 ' B' ' 94' ' ' ILE . . . -60.31 -50.95 71.61 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.843 178.881 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 91' ' ' MET . . . . . 0.443 ' O ' HG12 ' B' ' 95' ' ' ILE . 74.7 mtm -62.97 -35.63 80.8 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.922 -179.358 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 92' ' ' LEU . . . . . . . . . . . . . 58.0 tp -59.05 -47.49 85.03 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.498 176.09 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 93' ' ' ARG . . . . . 0.524 ' HG3' ' O ' ' B' ' 89' ' ' ALA . 21.7 mtm180 -61.04 -32.7 72.32 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.403 179.029 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 94' ' ' ILE . . . . . 0.634 ' O ' ' HG2' ' B' ' 98' ' ' ARG . 26.0 mt -72.2 -32.57 43.55 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.386 0 C-N-CA 120.816 -0.354 . . . . 0.0 110.672 178.564 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 95' ' ' ILE . . . . . 0.519 HD11 ' NE1' ' A' ' 69' ' ' TRP . 15.7 mm -56.43 -44.66 80.8 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.432 0 CA-C-O 121.485 0.659 . . . . 0.0 109.225 173.209 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 96' ' ' ASN . . . . . 0.42 ' HB2' ' O ' ' B' ' 93' ' ' ARG . 37.5 m-80 -57.11 -40.07 76.31 Favored 'General case' 0 C--O 1.235 0.334 0 CA-C-N 115.148 -0.933 . . . . 0.0 110.15 174.548 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 97' ' ' ALA . . . . . . . . . . . . . . . -78.59 -8.17 58.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.551 -0.749 . . . . 0.0 112.516 -177.577 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 98' ' ' ARG . . . . . 0.634 ' HG2' ' O ' ' B' ' 94' ' ' ILE . 31.6 mmm180 -81.6 -11.05 59.27 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.923 0.392 . . . . 0.0 110.276 178.826 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 99' ' ' LYS . . . . . . . . . . . . . 28.0 mtpp -109.87 -75.76 0.62 Allowed 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.387 -0.369 . . . . 0.0 110.81 178.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 100' ' ' GLU . . . . . . . . . . . . . 14.1 pt-20 -157.52 13.68 0.23 Allowed 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.474 -0.33 . . . . 0.0 111.165 -178.309 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 101' ' ' LYS . . . . . . . . . . . . . 95.4 mttt 58.79 46.39 14.19 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.413 -178.672 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 102' ' ' LYS . . . . . . . . . . . . . 25.0 ttmm -85.76 104.56 15.57 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.218 177.704 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 103' ' ' ARG . . . . . . . . . . . . . 7.0 mpt_? -85.31 121.11 27.57 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.928 0.394 . . . . 0.0 110.254 178.7 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 104' ' ' ARG . . . . . 0.673 ' HD3' ' O ' ' B' ' 104' ' ' ARG . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.045 0 CA-C-O 119.012 -0.518 . . . . 0.0 110.347 178.793 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.048 0 CA-C-O 120.911 0.386 . . . . 0.0 110.259 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -58.44 -31.81 67.29 Favored Glycine 0 N--CA 1.453 -0.208 0 CA-C-N 115.916 -0.584 . . . . 0.0 113.497 -174.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 89.8 mt -74.03 -22.27 59.63 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 120.721 0.296 . . . . 0.0 111.365 -177.758 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 89.5 mt -99.68 -33.55 10.56 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.939 0.399 . . . . 0.0 110.911 -177.517 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -87.47 -15.44 37.65 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.189 -179.532 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 78.71 15.43 80.78 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.813 -0.708 . . . . 0.0 112.061 -179.348 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 50.5 t-80 -123.1 101.9 7.67 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 109.988 -0.375 . . . . 0.0 109.988 -178.258 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -80.74 116.13 4.17 Favored Glycine 0 N--CA 1.445 -0.708 0 C-N-CA 120.625 -0.798 . . . . 0.0 111.734 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.564 ' O ' HG23 ' A' ' 47' ' ' VAL . 24.3 Cg_exo -64.94 165.25 21.93 Favored 'Trans proline' 0 C--N 1.344 0.303 0 C-N-CA 122.831 2.354 . . . . 0.0 111.696 176.322 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.465 HG13 ' HD3' ' A' ' 45' ' ' ARG . 12.1 pt -57.23 -35.09 47.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 N-CA-C 112.432 0.53 . . . . 0.0 112.432 -172.366 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.465 ' HD3' HG13 ' A' ' 44' ' ' ILE . 0.1 OUTLIER -61.88 -48.85 78.64 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-O 121.166 0.507 . . . . 0.0 110.148 175.965 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 46' ' ' MET . . . . . 0.532 ' O ' HG13 ' A' ' 50' ' ' ILE . 55.3 ttm -62.75 -33.24 74.74 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.73 179.243 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.564 HG23 ' O ' ' A' ' 43' ' ' PRO . 97.0 t -59.51 -46.24 93.12 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.504 -0.316 . . . . 0.0 110.817 178.225 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 10.3 mp -65.56 -31.9 73.19 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.773 0.321 . . . . 0.0 110.951 177.742 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -67.32 -45.84 75.27 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.771 176.413 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.532 HG13 ' O ' ' A' ' 46' ' ' MET . 58.8 mt -65.92 -35.62 75.55 Favored 'Isoleucine or valine' 0 C--O 1.233 0.207 0 CA-C-O 121.226 0.536 . . . . 0.0 109.727 176.933 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.411 HD22 ' NE1' ' A' ' 69' ' ' TRP . 9.0 tp -57.1 -55.25 37.14 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.381 -0.827 . . . . 0.0 110.507 175.719 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -57.02 -36.22 70.18 Favored 'General case' 0 C--O 1.232 0.136 0 CA-C-O 121.148 0.499 . . . . 0.0 110.731 -179.767 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 89.2 t80 -60.18 -58.13 9.86 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.672 -0.695 . . . . 0.0 109.899 176.63 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 85.8 mt -69.86 -6.38 32.22 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.521 -179.268 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 29.1 tpt180 -92.45 -36.5 13.07 Favored 'General case' 0 N--CA 1.427 -1.623 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.882 -178.804 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 81.2 m-85 -103.85 -24.06 13.33 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 112.146 0.425 . . . . 0.0 112.146 -177.099 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' THR . . . . . 0.405 HG22 ' HG3' ' B' ' 46' ' ' MET . 42.5 p -89.4 -27.18 20.6 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.255 0.55 . . . . 0.0 110.047 178.796 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -135.53 -179.55 5.71 Favored 'General case' 0 N--CA 1.449 -0.522 0 CA-C-N 115.495 -0.775 . . . . 0.0 110.859 -174.872 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 65.5 mt -119.85 129.85 74.91 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-N 115.902 -0.59 . . . . 0.0 109.507 176.404 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 26.2 tptp 66.99 92.19 0.07 OUTLIER Pre-proline 0 C--O 1.233 0.213 0 O-C-N 123.922 0.764 . . . . 0.0 110.962 -178.458 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 31.2 Cg_exo -60.18 150.33 80.16 Favored 'Trans proline' 0 C--O 1.237 0.473 0 C-N-CA 123.015 2.477 . . . . 0.0 112.36 178.543 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 16.4 m -59.96 142.9 52.96 Favored 'General case' 0 C--O 1.236 0.371 0 CA-C-N 115.442 -0.799 . . . . 0.0 111.282 -178.693 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 95.4 mt -60.15 -28.25 67.75 Favored 'General case' 0 C--O 1.223 -0.316 0 CA-C-N 114.997 -1.001 . . . . 0.0 112.668 -172.767 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -61.25 -43.48 99.33 Favored Glycine 0 C--O 1.237 0.29 0 C-N-CA 120.384 -0.912 . . . . 0.0 111.71 178.179 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.497 ' O ' ' HB2' ' A' ' 69' ' ' TRP . 3.9 mm? -67.76 -38.38 83.39 Favored 'General case' 0 C--O 1.22 -0.477 0 N-CA-C 109.882 -0.414 . . . . 0.0 109.882 176.639 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 50.8 mm -66.82 -38.0 80.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.339 -179.745 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 20.3 m-80 -66.64 -37.83 85.64 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.376 -0.374 . . . . 0.0 111.119 178.718 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.421 ' O ' HG23 ' A' ' 72' ' ' VAL . 34.7 ttm180 -83.45 -19.8 35.22 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.138 0.494 . . . . 0.0 110.193 177.878 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 69' ' ' TRP . . . . . 0.607 ' NE1' HD11 ' B' ' 95' ' ' ILE . 11.6 t90 -58.52 -48.87 79.42 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.317 -0.856 . . . . 0.0 110.324 177.032 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -75.83 -5.14 78.73 Favored Glycine 0 N--CA 1.451 -0.363 0 CA-C-N 115.824 -0.625 . . . . 0.0 112.363 176.947 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 24.9 t -92.39 -17.78 24.17 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 109.782 -0.451 . . . . 0.0 109.782 178.432 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.445 HG13 ' HB ' ' A' ' 44' ' ' ILE . 84.4 t -63.66 135.5 27.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.187 177.259 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -57.55 122.39 29.09 Favored Glycine 0 N--CA 1.438 -1.202 0 N-CA-C 110.285 -1.126 . . . . 0.0 110.285 173.743 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.586 ' O ' ' HG2' ' A' ' 78' ' ' MET . 48.4 mttp -60.72 -35.97 77.68 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-O 120.931 0.396 . . . . 0.0 110.164 -175.407 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 56.6 tptt -63.98 -45.15 90.32 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.416 -0.811 . . . . 0.0 110.379 174.458 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.507 ' O ' HG13 ' A' ' 80' ' ' ILE . 4.0 tp10 -59.68 -47.47 85.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.531 -0.759 . . . . 0.0 109.81 178.399 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -54.97 -41.84 71.65 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.926 179.175 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' MET . . . . . 0.586 ' HG2' ' O ' ' A' ' 74' ' ' LYS . 64.1 mmm -57.66 -47.64 81.72 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.322 178.474 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 28.8 mt-10 -69.79 -37.18 76.23 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.847 -179.1 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.507 HG13 ' O ' ' A' ' 76' ' ' GLU . 96.7 mt -61.69 -52.38 61.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.689 178.066 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.425 HG13 ' HB2' ' B' ' 92' ' ' LEU . 45.6 mm -60.37 -37.03 72.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.904 -179.016 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 39.6 ttpt -61.83 -48.88 78.56 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.766 177.592 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 35.0 mmtp -69.96 -32.06 70.1 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.681 178.942 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' PHE . . . . . 0.481 ' O ' ' HG ' ' A' ' 88' ' ' LEU . 2.1 t80 -61.77 -52.59 63.61 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.812 -0.631 . . . . 0.0 109.818 179.435 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 99.7 mttt -59.61 -39.08 83.08 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.74 178.392 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 59.5 tttm -63.34 -42.23 98.92 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.805 -0.634 . . . . 0.0 111.192 -179.336 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -73.35 -33.87 65.32 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 110.018 -0.364 . . . . 0.0 110.018 -178.524 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.481 ' HG ' ' O ' ' A' ' 84' ' ' PHE . 90.8 mt -58.86 -42.55 89.68 Favored 'General case' 0 CA--C 1.52 -0.188 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.052 173.461 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.488 ' O ' ' HG3' ' A' ' 93' ' ' ARG . . . -58.96 -44.1 91.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.687 177.952 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 90' ' ' ALA . . . . . 0.558 ' O ' HG13 ' A' ' 94' ' ' ILE . . . -61.43 -50.47 72.7 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.813 178.529 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 91' ' ' MET . . . . . 0.4 ' O ' HG12 ' A' ' 95' ' ' ILE . 76.3 mtm -63.87 -35.08 79.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.181 -178.58 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.408 ' HB2' HG13 ' B' ' 81' ' ' ILE . 57.6 tp -59.59 -44.52 93.34 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.219 0.533 . . . . 0.0 110.589 176.293 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 93' ' ' ARG . . . . . 0.488 ' HG3' ' O ' ' A' ' 89' ' ' ALA . 20.7 mtm180 -67.01 -29.78 69.71 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.7 -179.588 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 0.558 HG13 ' O ' ' A' ' 90' ' ' ALA . 45.2 mt -72.81 -33.03 42.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.719 -0.219 . . . . 0.0 110.86 177.733 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.641 HD11 ' NE1' ' B' ' 69' ' ' TRP . 20.0 mm -57.87 -49.82 79.82 Favored 'Isoleucine or valine' 0 C--O 1.232 0.162 0 CA-C-O 121.538 0.685 . . . . 0.0 109.186 172.926 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 41.1 m-80 -67.55 -25.24 65.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.004 -0.998 . . . . 0.0 110.877 179.466 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -71.32 -12.54 61.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.056 0.455 . . . . 0.0 110.977 -179.844 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 98' ' ' ARG . . . . . 0.42 ' HG2' ' O ' ' A' ' 94' ' ' ILE . 26.3 mmt180 -85.87 4.24 38.17 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.98 0.419 . . . . 0.0 110.159 177.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 64.8 tttp -89.82 -24.8 21.34 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.92 -179.578 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 26.7 mm-40 60.42 47.79 8.42 Favored 'General case' 0 C--O 1.232 0.149 0 N-CA-C 109.026 -0.731 . . . . 0.0 109.026 -171.66 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 21.2 pttp -77.54 74.86 4.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.386 -0.825 . . . . 0.0 111.521 -174.469 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 21.2 ptmt -99.29 -4.17 32.43 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.077 -0.965 . . . . 0.0 109.829 176.83 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 103' ' ' ARG . . . . . 0.41 ' HG2' ' HG2' ' A' ' 104' ' ' ARG . 52.8 ttp180 65.65 -92.38 0.03 OUTLIER 'General case' 0 CA--C 1.532 0.25 0 CA-C-N 115.026 -0.988 . . . . 0.0 110.75 -179.382 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 104' ' ' ARG . . . . . 0.41 ' HG2' ' HG2' ' A' ' 103' ' ' ARG . 5.1 ptp180 . . . . . 0 C--O 1.248 0.976 0 CA-C-O 118.415 -0.802 . . . . 0.0 110.023 178.065 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 0.954 0 CA-C-O 121.027 0.442 . . . . 0.0 110.32 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 36' ' ' GLY . . . . . . . . . . . . . . . -58.13 -31.7 65.93 Favored Glycine 0 N--CA 1.452 -0.271 0 CA-C-N 115.83 -0.623 . . . . 0.0 113.644 -175.08 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 90.8 mt -74.27 -22.08 59.47 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 120.782 0.325 . . . . 0.0 111.294 -177.713 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 90.1 mt -99.84 -33.85 10.38 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.748 0.308 . . . . 0.0 110.89 -177.441 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -87.16 -15.62 37.83 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.255 -179.534 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . 78.98 15.84 79.93 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.862 -0.685 . . . . 0.0 111.939 -179.553 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 41' ' ' HIS . . . . . . . . . . . . . 50.6 t-80 -123.76 101.73 7.44 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 109.96 -0.385 . . . . 0.0 109.96 -178.251 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 42' ' ' GLY . . . . . . . . . . . . . . . -80.34 116.16 4.2 Favored Glycine 0 N--CA 1.445 -0.719 0 C-N-CA 120.664 -0.779 . . . . 0.0 111.88 179.732 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 43' ' ' PRO . . . . . 0.56 ' O ' HG23 ' B' ' 47' ' ' VAL . 24.0 Cg_exo -65.12 165.3 22.26 Favored 'Trans proline' 0 C--N 1.344 0.342 0 C-N-CA 122.842 2.362 . . . . 0.0 111.695 176.352 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 44' ' ' ILE . . . . . 0.465 HG13 ' HD3' ' B' ' 45' ' ' ARG . 12.6 pt -57.32 -35.01 47.51 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 N-CA-C 112.41 0.522 . . . . 0.0 112.41 -172.218 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 45' ' ' ARG . . . . . 0.465 ' HD3' HG13 ' B' ' 44' ' ' ILE . 0.1 OUTLIER -61.87 -48.82 78.78 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-O 121.181 0.515 . . . . 0.0 110.144 175.931 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 46' ' ' MET . . . . . 0.528 ' O ' HG13 ' B' ' 50' ' ' ILE . 55.5 ttm -62.95 -33.11 74.66 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.701 179.304 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 47' ' ' VAL . . . . . 0.56 HG23 ' O ' ' B' ' 43' ' ' PRO . 99.4 t -59.46 -46.28 92.94 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.493 -0.321 . . . . 0.0 110.807 178.019 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 10.3 mp -65.6 -31.81 73.05 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.796 0.332 . . . . 0.0 111.016 177.878 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -67.28 -46.01 74.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.749 176.389 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 50' ' ' ILE . . . . . 0.528 HG13 ' O ' ' B' ' 46' ' ' MET . 58.4 mt -65.82 -35.59 75.51 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-O 121.211 0.529 . . . . 0.0 109.723 176.861 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 51' ' ' LEU . . . . . 0.421 HD22 ' NE1' ' B' ' 69' ' ' TRP . 9.0 tp -57.18 -55.24 37.26 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.394 -0.821 . . . . 0.0 110.474 175.774 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -57.04 -36.19 70.19 Favored 'General case' 0 C--O 1.231 0.13 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.736 -179.789 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 53' ' ' PHE . . . . . . . . . . . . . 89.4 t80 -60.27 -58.05 10.19 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.674 -0.694 . . . . 0.0 109.864 176.661 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 54' ' ' LEU . . . . . . . . . . . . . 85.6 mt -69.83 -6.39 32.12 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.575 -179.329 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 55' ' ' ARG . . . . . . . . . . . . . 29.2 tpt180 -92.44 -36.56 13.04 Favored 'General case' 0 N--CA 1.426 -1.628 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.966 -178.927 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 56' ' ' PHE . . . . . . . . . . . . . 81.0 m-85 -103.72 -24.14 13.37 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 112.12 0.415 . . . . 0.0 112.12 -176.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 57' ' ' THR . . . . . . . . . . . . . 41.2 p -89.33 -27.37 20.55 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.122 0.487 . . . . 0.0 109.999 178.823 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -135.59 179.78 6.12 Favored 'General case' 0 N--CA 1.449 -0.512 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.831 -174.739 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 59' ' ' ILE . . . . . . . . . . . . . 65.0 mt -119.12 130.06 74.38 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 CA-C-N 115.944 -0.571 . . . . 0.0 109.58 176.278 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 26.3 tptp 67.0 92.36 0.07 OUTLIER Pre-proline 0 CA--C 1.53 0.21 0 O-C-N 123.938 0.774 . . . . 0.0 110.96 -178.453 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 61' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_exo -60.35 150.13 82.14 Favored 'Trans proline' 0 C--O 1.236 0.385 0 C-N-CA 122.942 2.428 . . . . 0.0 112.189 178.436 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 14.5 m -60.12 143.15 52.93 Favored 'General case' 0 C--O 1.237 0.396 0 CA-C-N 115.346 -0.843 . . . . 0.0 111.297 -178.612 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 95.3 mt -60.45 -28.18 68.11 Favored 'General case' 0 C--O 1.225 -0.223 0 CA-C-N 115.01 -0.995 . . . . 0.0 112.707 -172.321 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -61.78 -43.23 99.51 Favored Glycine 0 C--O 1.236 0.281 0 C-N-CA 120.381 -0.914 . . . . 0.0 111.651 178.465 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 65' ' ' LEU . . . . . 0.499 ' O ' ' HB2' ' B' ' 69' ' ' TRP . 3.9 mm? -67.54 -38.42 84.17 Favored 'General case' 0 C--O 1.221 -0.441 0 N-CA-C 109.849 -0.426 . . . . 0.0 109.849 176.474 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 66' ' ' ILE . . . . . . . . . . . . . 50.7 mm -66.98 -37.95 80.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.407 -179.709 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 67' ' ' ASN . . . . . . . . . . . . . 19.8 m-80 -66.6 -37.73 85.5 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.33 -0.396 . . . . 0.0 111.178 178.546 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 68' ' ' ARG . . . . . 0.421 ' O ' HG23 ' B' ' 72' ' ' VAL . 34.6 ttm180 -83.61 -19.95 34.57 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.11 0.481 . . . . 0.0 110.048 177.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 69' ' ' TRP . . . . . 0.641 ' NE1' HD11 ' A' ' 95' ' ' ILE . 11.4 t90 -58.47 -48.67 79.98 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.284 -0.871 . . . . 0.0 110.281 177.035 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . -76.5 -4.38 80.3 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.895 -0.669 . . . . 0.0 112.258 177.085 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 71' ' ' SER . . . . . . . . . . . . . 26.0 t -92.49 -18.21 23.49 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 109.635 -0.505 . . . . 0.0 109.635 178.222 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 72' ' ' VAL . . . . . 0.43 HG13 ' HB ' ' B' ' 44' ' ' ILE . 85.8 t -63.49 135.81 27.07 Favored 'Isoleucine or valine' 0 C--O 1.235 0.3 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.137 177.579 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 73' ' ' GLY . . . . . . . . . . . . . . . -58.0 122.41 29.44 Favored Glycine 0 N--CA 1.44 -1.06 0 N-CA-C 110.328 -1.109 . . . . 0.0 110.328 173.856 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 74' ' ' LYS . . . . . 0.584 ' O ' ' HG2' ' B' ' 78' ' ' MET . 48.2 mttp -60.79 -35.91 77.65 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-O 120.988 0.423 . . . . 0.0 110.054 -175.145 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 75' ' ' LYS . . . . . . . . . . . . . 56.8 tptt -63.98 -45.22 90.06 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.394 -0.821 . . . . 0.0 110.399 174.485 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 76' ' ' GLU . . . . . 0.53 ' O ' HG13 ' B' ' 80' ' ' ILE . 4.0 tp10 -59.49 -47.33 85.9 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.559 -0.746 . . . . 0.0 109.892 178.296 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 77' ' ' ALA . . . . . . . . . . . . . . . -55.23 -41.69 72.42 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.997 179.235 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 78' ' ' MET . . . . . 0.584 ' HG2' ' O ' ' B' ' 74' ' ' LYS . 63.3 mmm -57.71 -47.49 82.24 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.351 178.453 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 79' ' ' GLU . . . . . . . . . . . . . 29.9 mt-10 -69.81 -37.31 76.22 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.544 -0.753 . . . . 0.0 110.769 -179.123 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 80' ' ' ILE . . . . . 0.53 HG13 ' O ' ' B' ' 76' ' ' GLU . 97.0 mt -61.84 -52.28 62.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.706 178.276 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 81' ' ' ILE . . . . . 0.408 HG13 ' HB2' ' A' ' 92' ' ' LEU . 45.8 mm -60.42 -36.8 71.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.934 -179.155 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 82' ' ' LYS . . . . . . . . . . . . . 39.7 ttpt -62.0 -48.92 78.16 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.709 177.524 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 83' ' ' LYS . . . . . . . . . . . . . 34.9 mmtp -70.08 -31.85 69.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.732 179.03 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 84' ' ' PHE . . . . . 0.481 ' O ' ' HG ' ' B' ' 88' ' ' LEU . 2.1 t80 -61.78 -52.63 63.43 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.787 -0.642 . . . . 0.0 109.748 179.375 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 85' ' ' LYS . . . . . . . . . . . . . 99.7 mttt -59.9 -38.73 83.13 Favored 'General case' 0 C--O 1.233 0.218 0 CA-C-N 115.916 -0.583 . . . . 0.0 110.75 178.522 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 86' ' ' LYS . . . . . . . . . . . . . 59.4 tttm -63.41 -42.59 98.76 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.874 -0.603 . . . . 0.0 111.153 -179.591 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 87' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -72.86 -34.1 66.52 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.826 0.346 . . . . 0.0 110.103 -178.495 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 88' ' ' LEU . . . . . 0.481 ' HG ' ' O ' ' B' ' 84' ' ' PHE . 91.2 mt -58.75 -42.57 89.16 Favored 'General case' 0 CA--C 1.521 -0.155 0 CA-C-N 115.927 -0.578 . . . . 0.0 110.021 173.531 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 89' ' ' ALA . . . . . 0.488 ' O ' ' HG3' ' B' ' 93' ' ' ARG . . . -59.03 -44.12 91.7 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.582 -0.736 . . . . 0.0 110.563 178.072 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 90' ' ' ALA . . . . . 0.558 ' O ' HG13 ' B' ' 94' ' ' ILE . . . -61.55 -50.41 72.76 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.77 178.66 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 91' ' ' MET . . . . . . . . . . . . . 75.8 mtm -63.88 -35.13 79.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.168 -178.616 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 92' ' ' LEU . . . . . 0.425 ' HB2' HG13 ' A' ' 81' ' ' ILE . 57.4 tp -59.41 -44.65 92.8 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.207 0.527 . . . . 0.0 110.626 176.372 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 93' ' ' ARG . . . . . 0.488 ' HG3' ' O ' ' B' ' 89' ' ' ALA . 20.7 mtm180 -66.77 -30.22 70.37 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.675 -179.455 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 94' ' ' ILE . . . . . 0.558 HG13 ' O ' ' B' ' 90' ' ' ALA . 45.1 mt -72.43 -33.09 44.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.61 -0.268 . . . . 0.0 110.913 177.761 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 95' ' ' ILE . . . . . 0.607 HD11 ' NE1' ' A' ' 69' ' ' TRP . 19.9 mm -57.87 -50.0 79.2 Favored 'Isoleucine or valine' 0 C--O 1.232 0.183 0 CA-C-O 121.645 0.736 . . . . 0.0 109.1 172.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 96' ' ' ASN . . . . . . . . . . . . . 42.0 m-80 -67.49 -25.44 65.86 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 114.978 -1.01 . . . . 0.0 110.934 179.49 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 97' ' ' ALA . . . . . . . . . . . . . . . -70.94 -13.07 61.88 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.924 0.392 . . . . 0.0 110.91 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 98' ' ' ARG . . . . . 0.435 ' HG2' ' O ' ' B' ' 94' ' ' ILE . 26.5 mmt180 -85.45 4.59 34.91 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.983 0.421 . . . . 0.0 110.176 178.067 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 99' ' ' LYS . . . . . . . . . . . . . 64.9 tttp -90.35 -24.32 20.86 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.77 -179.563 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 100' ' ' GLU . . . . . . . . . . . . . 32.2 mm-40 60.23 47.53 9.12 Favored 'General case' 0 C--O 1.232 0.164 0 N-CA-C 109.071 -0.714 . . . . 0.0 109.071 -171.742 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 101' ' ' LYS . . . . . . . . . . . . . 21.2 pttp -77.16 74.8 3.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.388 -0.824 . . . . 0.0 111.533 -174.094 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 102' ' ' LYS . . . . . . . . . . . . . 21.2 ptmt -99.2 -4.42 32.1 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.206 -0.906 . . . . 0.0 109.895 177.174 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 103' ' ' ARG . . . . . 0.412 ' HG2' ' HG2' ' B' ' 104' ' ' ARG . 52.8 ttp180 65.64 -92.88 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 114.945 -1.025 . . . . 0.0 110.571 -179.152 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 104' ' ' ARG . . . . . 0.412 ' HG2' ' HG2' ' B' ' 103' ' ' ARG . 5.2 ptp180 . . . . . 0 C--O 1.246 0.895 0 CA-C-O 118.379 -0.819 . . . . 0.0 109.838 178.046 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 0.851 0 CA-C-O 120.998 0.427 . . . . 0.0 110.229 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -59.92 -34.2 82.06 Favored Glycine 0 N--CA 1.452 -0.294 0 CA-C-N 115.921 -0.581 . . . . 0.0 113.13 -176.464 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 8.5 mp -76.5 -20.16 57.23 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 120.821 0.343 . . . . 0.0 110.835 -177.96 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 58.7 tp -90.99 -49.62 6.32 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.88 0.372 . . . . 0.0 110.524 -178.493 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -81.86 -18.1 45.02 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.36 -176.521 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 87.21 5.26 80.24 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.716 -0.754 . . . . 0.0 111.719 -178.129 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 12.1 m170 -95.06 88.38 5.21 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 109.63 -0.507 . . . . 0.0 109.63 -179.554 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -73.7 132.0 15.17 Favored Glycine 0 N--CA 1.445 -0.712 0 C-N-CA 120.636 -0.792 . . . . 0.0 112.783 -175.837 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.639 ' HD2' ' SD ' ' A' ' 46' ' ' MET . 37.6 Cg_endo -66.69 176.8 3.93 Favored 'Trans proline' 0 C--N 1.343 0.272 0 C-N-CA 122.632 2.221 . . . . 0.0 111.497 175.049 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.433 ' HB ' HG22 ' A' ' 72' ' ' VAL . 23.0 pt -52.54 -38.85 27.56 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.381 0 N-CA-C 112.275 0.472 . . . . 0.0 112.275 -172.946 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.404 HH11 ' HD3' ' A' ' 45' ' ' ARG . 39.4 mtp180 -54.81 -53.68 52.09 Favored 'General case' 0 N--CA 1.463 0.199 0 CA-C-O 121.39 0.614 . . . . 0.0 110.949 175.35 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' MET . . . . . 0.639 ' SD ' ' HD2' ' A' ' 43' ' ' PRO . 85.0 mtp -70.95 -19.49 62.56 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.449 -0.796 . . . . 0.0 111.156 -176.534 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.54 HG23 ' O ' ' A' ' 43' ' ' PRO . 97.1 t -67.17 -46.93 83.15 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.187 0 N-CA-C 110.131 -0.322 . . . . 0.0 110.131 176.804 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.4 HD13 ' HA ' ' A' ' 48' ' ' LEU . 4.0 mm? -65.29 -34.67 78.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.487 -0.324 . . . . 0.0 110.355 176.153 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -64.69 -52.48 56.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.559 178.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 14.4 tt -68.52 -28.77 41.59 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-O 120.954 0.407 . . . . 0.0 110.308 -179.522 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.571 ' O ' ' HG2' ' A' ' 55' ' ' ARG . 13.6 tp -62.53 -53.72 50.46 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.059 176.124 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.486 ' HB1' ' CZ ' ' B' ' 84' ' ' PHE . . . -54.59 -41.04 69.43 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.76 -0.655 . . . . 0.0 110.502 179.011 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 84.7 t80 -57.93 -57.61 12.04 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.626 -0.715 . . . . 0.0 109.842 173.457 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 96.0 mt -71.03 7.3 1.24 Allowed 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 112.478 0.547 . . . . 0.0 112.478 -177.787 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.571 ' HG2' ' O ' ' A' ' 51' ' ' LEU . 14.6 mmm180 -111.99 -46.18 3.24 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 121.862 -0.524 . . . . 0.0 111.591 172.519 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 4.7 t80 -79.23 -15.76 57.54 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.905 0.383 . . . . 0.0 110.563 -178.059 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 43.5 p -98.45 5.56 47.96 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 109.807 -0.442 . . . . 0.0 109.807 174.06 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.496 ' O ' ' HB ' ' A' ' 59' ' ' ILE . . . 65.87 -158.2 0.27 Allowed 'General case' 0 N--CA 1.462 0.14 0 CA-C-N 115.004 -0.998 . . . . 0.0 110.282 -172.165 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.496 ' HB ' ' O ' ' A' ' 58' ' ' ALA . 79.8 mt 76.67 141.15 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.465 0.281 0 O-C-N 123.51 0.506 . . . . 0.0 110.097 -176.38 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 64.3 tttp -79.35 117.55 67.66 Favored Pre-proline 0 C--N 1.324 -0.53 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.135 178.581 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 34.9 Cg_exo -60.36 123.63 13.5 Favored 'Trans proline' 0 N--CA 1.461 -0.427 0 C-N-CA 122.375 2.05 . . . . 0.0 111.184 177.078 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 13.5 m -56.94 146.84 25.48 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.973 -178.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 85.4 mt -61.34 -22.09 64.6 Favored 'General case' 0 C--O 1.225 -0.226 0 CA-C-N 115.405 -0.816 . . . . 0.0 112.536 -171.277 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -59.88 -44.29 97.23 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.222 -0.99 . . . . 0.0 111.141 174.414 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -69.33 -40.67 77.46 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 109.908 -0.404 . . . . 0.0 109.908 177.686 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.503 ' O ' ' HB3' ' A' ' 69' ' ' TRP . 48.8 mm -63.67 -34.96 71.05 Favored 'Isoleucine or valine' 0 C--O 1.236 0.38 0 CA-C-O 121.287 0.565 . . . . 0.0 110.913 179.376 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 3.6 m-80 -66.89 -40.88 87.88 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.837 -0.619 . . . . 0.0 110.991 177.24 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.437 ' HB3' HG21 ' A' ' 47' ' ' VAL . 55.5 mtt180 -74.9 -31.48 61.58 Favored 'General case' 0 CA--C 1.519 -0.219 0 CA-C-O 121.202 0.525 . . . . 0.0 109.762 178.11 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 69' ' ' TRP . . . . . 0.631 ' CD1' HD11 ' B' ' 95' ' ' ILE . 45.0 t90 -53.1 -56.41 16.47 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 114.714 -1.13 . . . . 0.0 110.599 176.014 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -74.43 -5.03 71.37 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 121.082 -0.58 . . . . 0.0 113.179 177.707 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 72.7 m -84.33 -17.22 40.2 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.991 0.396 . . . . 0.0 110.557 177.348 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.433 HG22 ' HB ' ' A' ' 44' ' ' ILE . 14.2 t -71.32 127.85 33.76 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 N-CA-C 108.679 -0.86 . . . . 0.0 108.679 175.04 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 73' ' ' GLY . . . . . 0.456 ' O ' ' N ' ' A' ' 75' ' ' LYS . . . -77.55 44.9 2.3 Favored Glycine 0 CA--C 1.521 0.421 0 CA-C-O 119.359 -0.689 . . . . 0.0 114.398 -170.715 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.413 ' HA ' ' CG2' ' B' ' 95' ' ' ILE . 19.8 ptmt 49.72 -60.87 0.0 OUTLIER 'General case' 0 N--CA 1.484 1.272 0 C-N-CA 125.946 1.698 . . . . 0.0 115.334 177.485 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.465 ' HD3' ' C ' ' A' ' 75' ' ' LYS . 1.2 tmtp? -54.66 -52.92 60.83 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.439 0.638 . . . . 0.0 109.755 177.658 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 13.4 tp10 -50.93 -44.37 60.25 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 114.8 -1.091 . . . . 0.0 110.993 173.604 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -61.4 -37.06 82.1 Favored 'General case' 0 C--O 1.226 -0.174 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.733 179.8 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 65.0 mtt -59.63 -43.86 93.67 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.298 177.555 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -65.69 -42.84 90.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.699 176.937 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 88.6 mt -60.03 -54.21 37.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.793 179.06 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 46.8 mm -66.17 -35.86 76.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 116.035 -0.53 . . . . 0.0 111.334 -177.793 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 23.8 tptm -62.54 -48.81 77.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.856 0.36 . . . . 0.0 110.635 179.537 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 39.0 ttpt -70.29 -28.35 65.12 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.198 0.523 . . . . 0.0 110.245 179.772 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' PHE . . . . . 0.527 ' O ' ' HG ' ' A' ' 88' ' ' LEU . 14.5 t80 -64.88 -51.43 62.02 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.484 -0.78 . . . . 0.0 109.969 175.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 85' ' ' LYS . . . . . 0.44 ' HA ' HD12 ' A' ' 88' ' ' LEU . 98.5 mttt -58.88 -33.22 70.25 Favored 'General case' 0 C--O 1.232 0.184 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.053 175.776 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 27.1 tptp -64.54 -45.24 87.99 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.794 179.01 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -68.52 -36.68 79.19 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.051 0.453 . . . . 0.0 110.133 179.525 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.527 ' HG ' ' O ' ' A' ' 84' ' ' PHE . 93.2 mt -62.71 -42.14 99.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.75 177.136 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -60.26 -47.46 85.91 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.664 178.602 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 90' ' ' ALA . . . . . 0.608 ' O ' HG13 ' A' ' 94' ' ' ILE . . . -62.08 -45.56 92.97 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.719 178.685 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 6.2 tpt -64.16 -39.22 93.54 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.519 -177.265 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.433 ' O ' ' HB ' ' A' ' 95' ' ' ILE . 53.3 tp -60.05 -39.63 86.6 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.598 175.919 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 93' ' ' ARG . . . . . 0.484 ' HA ' ' ND2' ' A' ' 96' ' ' ASN . 94.2 mtt180 -71.5 -22.13 61.83 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.013 -0.539 . . . . 0.0 111.224 -179.618 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 0.608 HG13 ' O ' ' A' ' 90' ' ' ALA . 11.4 mt -78.47 -28.81 14.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 C-N-CA 120.492 -0.483 . . . . 0.0 109.794 173.209 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.626 HD11 ' CD1' ' B' ' 69' ' ' TRP . 19.0 mm -60.61 -39.95 83.07 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.248 0 N-CA-C 109.231 -0.655 . . . . 0.0 109.231 170.404 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 96' ' ' ASN . . . . . 0.484 ' ND2' ' HA ' ' A' ' 93' ' ' ARG . 79.4 m-20 -59.76 -44.8 93.68 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.486 -0.779 . . . . 0.0 109.551 174.101 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -72.33 2.01 6.83 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.816 -0.629 . . . . 0.0 112.261 -179.691 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 98' ' ' ARG . . . . . 0.54 ' HG2' ' O ' ' A' ' 94' ' ' ILE . 5.6 mmp_? -81.97 -19.85 39.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.675 0.274 . . . . 0.0 110.529 176.949 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 99' ' ' LYS . . . . . 0.452 ' HG3' ' O ' ' A' ' 101' ' ' LYS . 48.2 tptt -157.87 -48.69 0.06 Allowed 'General case' 0 C--N 1.329 -0.318 0 C-N-CA 120.915 -0.314 . . . . 0.0 111.322 -175.36 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 100' ' ' GLU . . . . . 0.526 ' HA ' ' OE1' ' A' ' 100' ' ' GLU . 3.6 mm-40 72.85 -42.05 0.52 Allowed 'General case' 0 N--CA 1.468 0.446 0 C-N-CA 123.825 0.85 . . . . 0.0 112.048 -176.363 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 101' ' ' LYS . . . . . 0.452 ' O ' ' HG3' ' A' ' 99' ' ' LYS . 24.5 pttm -152.93 137.53 16.86 Favored 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 109.713 -0.477 . . . . 0.0 109.713 -179.79 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 14.1 ptmm? -135.96 22.49 3.29 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 121.089 0.471 . . . . 0.0 110.355 -176.864 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 99.9 mtt180 -122.5 2.22 9.6 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.799 -0.637 . . . . 0.0 111.186 -178.284 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 . . . . . 0 C--O 1.249 1.028 0 CA-C-O 118.447 -0.787 . . . . 0.0 110.322 -177.654 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 0.934 0 CA-C-O 120.997 0.427 . . . . 0.0 110.461 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 36' ' ' GLY . . . . . . . . . . . . . . . -59.88 -34.64 83.78 Favored Glycine 0 N--CA 1.451 -0.308 0 CA-C-N 115.929 -0.578 . . . . 0.0 113.036 -176.38 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 8.6 mp -76.03 -20.12 58.07 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 120.881 0.372 . . . . 0.0 110.9 -177.847 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 58.8 tp -91.31 -49.46 6.34 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.931 0.396 . . . . 0.0 110.546 -178.25 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -81.9 -18.55 43.31 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.299 -176.709 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . 87.65 5.11 78.89 Favored Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.67 -0.776 . . . . 0.0 111.717 -178.215 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 41' ' ' HIS . . . . . . . . . . . . . 12.0 m170 -94.72 88.61 5.43 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 109.582 -0.525 . . . . 0.0 109.582 -179.618 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 42' ' ' GLY . . . . . . . . . . . . . . . -74.0 132.14 14.89 Favored Glycine 0 N--CA 1.445 -0.728 0 C-N-CA 120.636 -0.792 . . . . 0.0 112.726 -175.816 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 43' ' ' PRO . . . . . 0.653 ' HD2' ' SD ' ' B' ' 46' ' ' MET . 38.2 Cg_endo -66.92 176.71 4.18 Favored 'Trans proline' 0 C--N 1.343 0.264 0 C-N-CA 122.682 2.255 . . . . 0.0 111.432 175.064 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 44' ' ' ILE . . . . . 0.433 ' HB ' HG22 ' B' ' 72' ' ' VAL . 23.4 pt -52.36 -38.87 26.52 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.415 0 N-CA-C 112.322 0.49 . . . . 0.0 112.322 -173.025 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 39.6 mtp180 -54.94 -53.53 54.45 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-O 121.438 0.637 . . . . 0.0 110.9 175.408 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 46' ' ' MET . . . . . 0.653 ' SD ' ' HD2' ' B' ' 43' ' ' PRO . 85.3 mtp -71.08 -19.55 62.46 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.489 -0.778 . . . . 0.0 111.131 -176.496 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 47' ' ' VAL . . . . . 0.543 HG23 ' O ' ' B' ' 43' ' ' PRO . 96.9 t -67.13 -46.96 83.18 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.191 0 N-CA-C 110.059 -0.349 . . . . 0.0 110.059 176.898 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 48' ' ' LEU . . . . . 0.427 HD13 ' HA ' ' B' ' 48' ' ' LEU . 4.0 mm? -65.28 -34.72 79.01 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.817 0.341 . . . . 0.0 110.431 176.144 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -64.56 -52.68 56.39 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.527 178.954 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 50' ' ' ILE . . . . . . . . . . . . . 14.4 tt -68.31 -28.75 41.86 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.183 0 CA-C-O 120.898 0.38 . . . . 0.0 110.371 -179.549 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 51' ' ' LEU . . . . . 0.574 ' O ' ' HG2' ' B' ' 55' ' ' ARG . 13.6 tp -62.51 -53.67 51.33 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.043 176.108 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 52' ' ' ALA . . . . . 0.464 ' HB1' ' CZ ' ' A' ' 84' ' ' PHE . . . -54.73 -40.87 69.72 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.53 179.083 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 53' ' ' PHE . . . . . . . . . . . . . 84.9 t80 -58.02 -57.59 12.14 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.618 -0.719 . . . . 0.0 109.916 173.385 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 54' ' ' LEU . . . . . . . . . . . . . 95.9 mt -70.95 7.14 1.25 Allowed 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 112.466 0.543 . . . . 0.0 112.466 -177.797 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 55' ' ' ARG . . . . . 0.574 ' HG2' ' O ' ' B' ' 51' ' ' LEU . 14.6 mmm180 -111.88 -46.39 3.24 Favored 'General case' 0 C--N 1.323 -0.563 0 O-C-N 121.864 -0.522 . . . . 0.0 111.516 172.61 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 56' ' ' PHE . . . . . . . . . . . . . 4.8 t80 -78.99 -15.9 57.64 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 120.889 0.376 . . . . 0.0 110.533 -177.955 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 57' ' ' THR . . . . . . . . . . . . . 43.6 p -98.25 5.57 48.25 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 109.791 -0.448 . . . . 0.0 109.791 174.16 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 58' ' ' ALA . . . . . 0.511 ' O ' ' HB ' ' B' ' 59' ' ' ILE . . . 65.68 -158.17 0.27 Allowed 'General case' 0 N--CA 1.461 0.116 0 CA-C-N 115.114 -0.948 . . . . 0.0 110.304 -171.948 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 59' ' ' ILE . . . . . 0.511 ' HB ' ' O ' ' B' ' 58' ' ' ALA . 80.2 mt 76.65 141.29 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.463 0.218 0 O-C-N 123.561 0.538 . . . . 0.0 110.125 -176.207 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 64.2 tttp -79.57 117.99 70.08 Favored Pre-proline 0 C--N 1.324 -0.536 0 N-CA-C 109.937 -0.394 . . . . 0.0 109.937 178.688 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 61' ' ' PRO . . . . . . . . . . . . . 33.7 Cg_exo -60.57 123.44 13.05 Favored 'Trans proline' 0 N--CA 1.462 -0.358 0 C-N-CA 122.337 2.024 . . . . 0.0 111.31 176.909 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 13.2 m -56.71 147.04 23.85 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.013 -178.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 85.4 mt -61.45 -22.15 64.79 Favored 'General case' 0 CA--C 1.52 -0.2 0 CA-C-N 115.409 -0.814 . . . . 0.0 112.622 -171.315 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -59.8 -44.53 96.94 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.207 -0.996 . . . . 0.0 111.069 174.557 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -68.9 -41.02 78.79 Favored 'General case' 0 C--O 1.223 -0.322 0 N-CA-C 109.96 -0.385 . . . . 0.0 109.96 177.721 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 66' ' ' ILE . . . . . 0.474 ' O ' ' HB3' ' B' ' 69' ' ' TRP . 49.3 mm -63.36 -34.97 70.37 Favored 'Isoleucine or valine' 0 C--O 1.236 0.35 0 CA-C-O 121.315 0.579 . . . . 0.0 110.909 179.324 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 67' ' ' ASN . . . . . . . . . . . . . 3.7 m-80 -67.0 -40.58 87.38 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.987 177.31 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 68' ' ' ARG . . . . . 0.439 ' HB3' HG21 ' B' ' 47' ' ' VAL . 55.3 mtt180 -75.24 -31.15 60.73 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.182 0.515 . . . . 0.0 109.681 178.209 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 69' ' ' TRP . . . . . 0.626 ' CD1' HD11 ' A' ' 95' ' ' ILE . 45.1 t90 -53.54 -56.39 17.45 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 114.741 -1.118 . . . . 0.0 110.534 176.112 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . -74.37 -4.52 69.46 Favored Glycine 0 CA--C 1.52 0.405 0 CA-C-N 115.951 -0.568 . . . . 0.0 113.198 177.396 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 71' ' ' SER . . . . . . . . . . . . . 74.4 m -84.88 -17.17 38.75 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 117.06 0.43 . . . . 0.0 110.497 177.052 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 72' ' ' VAL . . . . . 0.433 HG22 ' HB ' ' B' ' 44' ' ' ILE . 14.4 t -71.29 128.06 33.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 N-CA-C 108.604 -0.888 . . . . 0.0 108.604 175.149 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 73' ' ' GLY . . . . . 0.457 ' O ' ' N ' ' B' ' 75' ' ' LYS . . . -77.59 45.07 2.34 Favored Glycine 0 C--O 1.225 -0.454 0 CA-C-O 119.336 -0.702 . . . . 0.0 114.431 -170.895 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 74' ' ' LYS . . . . . 0.409 ' HA ' ' CG2' ' A' ' 95' ' ' ILE . 19.8 ptmt 49.67 -61.15 0.0 OUTLIER 'General case' 0 N--CA 1.484 1.226 0 C-N-CA 125.923 1.689 . . . . 0.0 115.329 177.458 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 75' ' ' LYS . . . . . 0.485 ' C ' ' HD3' ' B' ' 75' ' ' LYS . 1.2 tmtp? -54.52 -52.69 61.21 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.402 0.62 . . . . 0.0 109.709 177.694 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 76' ' ' GLU . . . . . 0.416 ' HG2' HD12 ' B' ' 44' ' ' ILE . 13.5 tp10 -51.21 -44.27 61.58 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 114.777 -1.101 . . . . 0.0 110.939 173.796 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 77' ' ' ALA . . . . . . . . . . . . . . . -61.51 -36.67 81.17 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.726 179.863 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 78' ' ' MET . . . . . . . . . . . . . 66.1 mtt -60.02 -43.94 94.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.335 177.529 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 79' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -65.6 -42.88 91.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.669 176.882 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 80' ' ' ILE . . . . . . . . . . . . . 88.1 mt -59.89 -54.41 35.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.812 178.932 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 81' ' ' ILE . . . . . . . . . . . . . 46.9 mm -66.08 -36.06 76.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.29 -177.727 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 82' ' ' LYS . . . . . . . . . . . . . 23.8 tptm -62.32 -48.9 77.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.908 0.385 . . . . 0.0 110.679 179.462 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 83' ' ' LYS . . . . . . . . . . . . . 39.1 ttpt -70.18 -28.2 65.13 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.175 0.512 . . . . 0.0 110.222 179.825 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 84' ' ' PHE . . . . . 0.53 ' O ' ' HG ' ' B' ' 88' ' ' LEU . 14.6 t80 -65.01 -51.18 63.07 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.488 -0.778 . . . . 0.0 109.91 176.089 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 85' ' ' LYS . . . . . 0.451 ' HA ' HD12 ' B' ' 88' ' ' LEU . 98.4 mttt -59.0 -33.48 70.75 Favored 'General case' 0 N--CA 1.462 0.143 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.065 175.91 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 86' ' ' LYS . . . . . . . . . . . . . 27.1 tptp -64.28 -45.38 88.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.792 178.895 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 87' ' ' ASP . . . . . . . . . . . . . 35.6 t70 -68.45 -36.64 79.31 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.983 0.421 . . . . 0.0 110.093 179.562 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 88' ' ' LEU . . . . . 0.53 ' HG ' ' O ' ' B' ' 84' ' ' PHE . 93.6 mt -62.76 -42.12 99.53 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.703 177.224 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -60.22 -47.73 84.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.702 178.604 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 90' ' ' ALA . . . . . 0.594 ' O ' HG13 ' B' ' 94' ' ' ILE . . . -61.72 -45.77 92.55 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.72 178.542 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 91' ' ' MET . . . . . . . . . . . . . 6.2 tpt -64.02 -39.19 93.54 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.497 -177.162 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 92' ' ' LEU . . . . . 0.427 ' O ' ' HB ' ' B' ' 95' ' ' ILE . 53.2 tp -60.13 -39.52 86.57 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.59 176.017 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 93' ' ' ARG . . . . . 0.485 ' HA ' ' ND2' ' B' ' 96' ' ' ASN . 94.4 mtt180 -71.61 -22.11 61.75 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.144 -179.519 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 94' ' ' ILE . . . . . 0.594 HG13 ' O ' ' B' ' 90' ' ' ALA . 11.2 mt -78.44 -28.83 14.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 N-CA-C 109.745 -0.465 . . . . 0.0 109.745 173.29 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 95' ' ' ILE . . . . . 0.631 HD11 ' CD1' ' A' ' 69' ' ' TRP . 19.2 mm -60.6 -39.94 83.01 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.211 0 N-CA-C 109.246 -0.65 . . . . 0.0 109.246 170.437 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 96' ' ' ASN . . . . . 0.485 ' ND2' ' HA ' ' B' ' 93' ' ' ARG . 80.1 m-20 -59.77 -44.74 93.74 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.431 -0.804 . . . . 0.0 109.512 174.101 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 97' ' ' ALA . . . . . . . . . . . . . . . -72.26 1.86 6.99 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.814 -0.63 . . . . 0.0 112.258 -179.64 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 98' ' ' ARG . . . . . 0.531 ' HG2' ' O ' ' B' ' 94' ' ' ILE . 5.6 mmp_? -82.09 -19.58 39.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.646 0.26 . . . . 0.0 110.631 177.035 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 99' ' ' LYS . . . . . 0.453 ' HG3' ' O ' ' B' ' 101' ' ' LYS . 48.0 tptt -158.0 -49.25 0.06 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.489 -0.323 . . . . 0.0 111.152 -175.498 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 100' ' ' GLU . . . . . 0.508 ' HA ' ' OE1' ' B' ' 100' ' ' GLU . 3.6 mm-40 73.2 -41.95 0.51 Allowed 'General case' 0 N--CA 1.468 0.452 0 C-N-CA 123.853 0.861 . . . . 0.0 111.931 -176.223 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 101' ' ' LYS . . . . . 0.453 ' O ' ' HG3' ' B' ' 99' ' ' LYS . 24.6 pttm -153.01 137.65 16.9 Favored 'General case' 0 C--N 1.319 -0.726 0 N-CA-C 109.577 -0.527 . . . . 0.0 109.577 -179.872 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 102' ' ' LYS . . . . . . . . . . . . . 14.1 ptmm? -136.13 22.67 3.26 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-O 121.164 0.507 . . . . 0.0 110.347 -176.896 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 103' ' ' ARG . . . . . . . . . . . . . 99.9 mtt180 -122.18 1.26 9.7 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.751 -0.659 . . . . 0.0 111.207 -178.528 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 104' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 . . . . . 0 C--O 1.251 1.136 0 CA-C-O 118.71 -0.662 . . . . 0.0 110.358 -177.504 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.47 ' O ' HD23 ' A' ' 39' ' ' LEU . . . . . . . . 0 N--CA 1.479 1.001 0 CA-C-O 120.747 0.308 . . . . 0.0 110.485 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 73.42 -175.4 46.36 Favored Glycine 0 N--CA 1.443 -0.842 0 C-N-CA 119.633 -1.27 . . . . 0.0 113.405 175.425 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 85.5 mt -78.26 -6.37 54.77 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 120.908 0.385 . . . . 0.0 110.078 176.413 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 75.7 mt -85.94 -32.96 21.3 Favored 'General case' 0 N--CA 1.451 -0.388 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.118 -179.782 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.47 HD23 ' O ' ' A' ' 35' ' ' ALA . 3.7 mm? -102.41 -30.65 10.9 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.004 -0.544 . . . . 0.0 109.686 177.472 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 120.99 44.01 0.42 Allowed Glycine 0 C--O 1.228 -0.268 0 C-N-CA 119.368 -1.396 . . . . 0.0 114.272 169.694 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' HIS . . . . . 0.4 ' HB2' ' CB ' ' A' ' 35' ' ' ALA . 29.2 t60 -96.4 99.65 11.3 Favored 'General case' 0 C--N 1.317 -0.821 0 N-CA-C 109.019 -0.734 . . . . 0.0 109.019 171.478 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -97.38 116.8 5.61 Favored Glycine 0 N--CA 1.442 -0.948 0 C-N-CA 120.359 -0.924 . . . . 0.0 112.798 -177.367 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.572 ' HD2' ' SD ' ' A' ' 46' ' ' MET . 26.5 Cg_exo -64.43 179.09 1.35 Allowed 'Trans proline' 0 C--N 1.343 0.273 0 C-N-CA 122.765 2.31 . . . . 0.0 110.829 169.935 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 35.3 pt -52.79 -39.69 32.2 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.451 0 N-CA-C 112.596 0.591 . . . . 0.0 112.596 -172.413 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.401 ' HA ' HD13 ' A' ' 80' ' ' ILE . 97.0 mtt180 -60.89 -48.18 82.98 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 121.111 0.481 . . . . 0.0 110.634 177.719 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' MET . . . . . 0.572 ' SD ' ' HD2' ' A' ' 43' ' ' PRO . 1.9 mpt? -69.9 -27.9 65.17 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.909 -179.127 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.547 HG23 ' O ' ' A' ' 43' ' ' PRO . 90.6 t -58.45 -46.71 89.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 N-CA-C 110.126 -0.324 . . . . 0.0 110.126 176.201 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 11.0 mp -68.21 -31.92 71.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.03 177.854 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -66.55 -50.13 64.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.989 0.424 . . . . 0.0 110.996 176.083 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.534 HG13 ' O ' ' A' ' 46' ' ' MET . 54.7 mt -66.92 -29.89 47.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 115.999 -0.546 . . . . 0.0 109.771 178.315 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.533 ' O ' ' HG2' ' A' ' 55' ' ' ARG . 16.5 tp -58.33 -56.68 18.93 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.055 174.957 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -56.52 -39.49 73.43 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.826 179.803 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.427 ' HB3' ' O ' ' A' ' 50' ' ' ILE . 90.1 t80 -52.74 -58.48 6.72 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.66 -0.7 . . . . 0.0 109.63 173.711 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.554 HD13 ' H ' ' A' ' 62' ' ' SER . 83.9 mt -70.34 -6.71 37.18 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.237 -0.438 . . . . 0.0 112.103 -178.256 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.533 ' HG2' ' O ' ' A' ' 51' ' ' LEU . 25.1 mmm180 -87.82 -35.78 17.61 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.773 0.32 . . . . 0.0 111.296 177.839 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' PHE . . . . . 0.437 ' CZ ' ' HA ' ' B' ' 84' ' ' PHE . 66.8 m-85 -109.88 -12.67 14.55 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.92 -176.036 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 22.8 p -108.15 4.52 24.96 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.057 0.456 . . . . 0.0 110.705 178.035 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -164.47 167.06 19.92 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.401 -177.634 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 18.8 mm -118.28 50.79 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-O 121.823 0.821 . . . . 0.0 109.34 175.877 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 57.2 tptt 174.55 105.31 0.08 OUTLIER Pre-proline 0 C--N 1.321 -0.647 0 CA-C-N 114.589 -1.187 . . . . 0.0 110.285 -178.002 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' PRO . . . . . 0.526 ' HB2' HD11 ' A' ' 66' ' ' ILE . 4.9 Cg_exo -77.6 134.49 13.77 Favored 'Trans proline' 0 N--CA 1.457 -0.651 0 C-N-CA 122.535 2.156 . . . . 0.0 111.272 173.438 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.554 ' H ' HD13 ' A' ' 54' ' ' LEU . 5.9 m -59.32 138.09 57.75 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.961 -178.587 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 96.0 mt -62.47 -26.58 68.6 Favored 'General case' 0 N--CA 1.462 0.154 0 CA-C-N 115.67 -0.696 . . . . 0.0 112.28 -173.589 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -63.93 -47.07 89.4 Favored Glycine 0 N--CA 1.45 -0.406 0 C-N-CA 120.557 -0.83 . . . . 0.0 111.117 175.218 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.42 HD23 ' HB2' ' A' ' 62' ' ' SER . 4.3 mm? -64.44 -40.09 95.07 Favored 'General case' 0 C--O 1.218 -0.585 0 N-CA-C 110.162 -0.31 . . . . 0.0 110.162 176.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.526 HD11 ' HB2' ' A' ' 61' ' ' PRO . 37.2 mm -59.66 -43.82 92.12 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.339 0 CA-C-O 121.099 0.476 . . . . 0.0 111.108 177.945 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 24.3 t-20 -57.68 -42.96 84.67 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.736 -0.665 . . . . 0.0 111.006 178.721 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 23.0 ttm180 -82.8 -23.88 33.64 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.049 0.452 . . . . 0.0 110.178 -177.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' TRP . . . . . 0.569 ' CD1' HD11 ' B' ' 95' ' ' ILE . 44.2 t90 -60.84 -52.19 66.13 Favored 'General case' 0 C--N 1.324 -0.531 0 C-N-CA 123.938 0.895 . . . . 0.0 110.646 176.715 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 70' ' ' GLY . . . . . 0.426 ' HA3' ' HG3' ' B' ' 100' ' ' GLU . . . -69.04 -13.09 66.34 Favored Glycine 0 CA--C 1.522 0.514 0 C-N-CA 120.999 -0.619 . . . . 0.0 112.344 175.742 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 53.6 m -89.69 -2.33 58.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.914 0.387 . . . . 0.0 111.017 -179.748 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 56.8 t -78.6 138.66 19.76 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.587 0 N-CA-C 109.403 -0.592 . . . . 0.0 109.403 176.126 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -59.62 129.04 48.08 Favored Glycine 0 N--CA 1.442 -0.927 0 N-CA-C 110.356 -1.097 . . . . 0.0 110.356 174.754 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.515 ' O ' ' HG3' ' A' ' 78' ' ' MET . 0.2 OUTLIER -68.23 -23.39 64.8 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-O 121.618 0.723 . . . . 0.0 110.439 -173.425 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 20.2 tptm -74.55 -47.76 30.83 Favored 'General case' 0 C--N 1.31 -1.15 0 CA-C-N 114.498 -1.228 . . . . 0.0 109.828 170.916 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.516 ' O ' HG13 ' A' ' 80' ' ' ILE . 14.3 tp10 -62.34 -39.51 93.34 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.513 -0.767 . . . . 0.0 110.366 -178.837 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -58.16 -39.45 78.88 Favored 'General case' 0 N--CA 1.454 -0.263 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.79 178.205 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' MET . . . . . 0.515 ' HG3' ' O ' ' A' ' 74' ' ' LYS . 89.3 mtp -60.65 -44.59 96.25 Favored 'General case' 0 CA--C 1.519 -0.243 0 CA-C-O 121.101 0.477 . . . . 0.0 109.854 176.626 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -65.31 -43.31 91.44 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.462 -0.79 . . . . 0.0 110.804 179.078 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.516 HG13 ' O ' ' A' ' 76' ' ' GLU . 86.2 mt -61.62 -53.29 50.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.64 179.047 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.449 ' O ' ' HG3' ' A' ' 85' ' ' LYS . 35.4 mm -59.67 -39.83 80.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.149 -178.578 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 82' ' ' LYS . . . . . 0.51 ' O ' ' HG2' ' A' ' 86' ' ' LYS . 25.2 ttmm -59.6 -51.41 69.93 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.929 0.395 . . . . 0.0 110.746 178.36 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 55.4 mtmt -71.28 -26.1 62.73 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.936 -179.492 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' PHE . . . . . 0.453 ' HA ' ' CZ ' ' B' ' 56' ' ' PHE . 7.2 t80 -64.64 -48.56 74.39 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 109.295 -0.631 . . . . 0.0 109.295 175.331 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 85' ' ' LYS . . . . . 0.449 ' HG3' ' O ' ' A' ' 81' ' ' ILE . 99.5 mttt -59.91 -34.65 73.49 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-N 115.513 -0.767 . . . . 0.0 110.969 177.185 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 86' ' ' LYS . . . . . 0.51 ' HG2' ' O ' ' A' ' 82' ' ' LYS . 74.9 mmtt -64.97 -42.03 94.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.426 179.764 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 35.9 t70 -71.97 -35.54 69.56 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.897 0.379 . . . . 0.0 110.067 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 91.5 mt -58.94 -44.71 91.43 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.026 174.463 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -62.42 -40.32 96.17 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.511 -0.768 . . . . 0.0 110.762 178.147 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 90' ' ' ALA . . . . . 0.625 ' O ' HG13 ' A' ' 94' ' ' ILE . . . -63.49 -46.97 83.65 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.635 179.381 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 94.9 mmm -63.5 -38.67 92.03 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.727 179.303 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 49.2 tp -59.15 -46.01 89.47 Favored 'General case' 0 C--O 1.24 0.579 0 CA-C-O 121.311 0.577 . . . . 0.0 110.571 176.538 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 71.8 mtp180 -58.75 -36.85 75.01 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.536 -0.756 . . . . 0.0 110.766 178.304 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 0.625 HG13 ' O ' ' A' ' 90' ' ' ALA . 27.8 mt -69.18 -36.71 74.3 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.628 -0.26 . . . . 0.0 110.738 179.161 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.57 HD11 ' CD1' ' B' ' 69' ' ' TRP . 19.4 mm -51.54 -53.63 15.49 Favored 'Isoleucine or valine' 0 C--O 1.235 0.326 0 CA-C-O 121.319 0.58 . . . . 0.0 110.0 175.368 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -82.85 -16.02 49.27 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.757 -0.656 . . . . 0.0 111.121 -176.144 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -66.54 -43.02 86.27 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.09 0.472 . . . . 0.0 110.696 178.457 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 98' ' ' ARG . . . . . 0.631 ' HD3' ' OE2' ' A' ' 100' ' ' GLU . 12.2 ptp180 -93.55 -40.23 10.41 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.915 -175.621 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 95.3 mttt 69.71 -13.38 0.4 Allowed 'General case' 0 N--CA 1.466 0.336 0 CA-C-N 115.668 -0.696 . . . . 0.0 111.874 179.705 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 100' ' ' GLU . . . . . 0.631 ' OE2' ' HD3' ' A' ' 98' ' ' ARG . 32.1 mm-40 49.71 44.5 24.74 Favored 'General case' 0 N--CA 1.465 0.319 0 O-C-N 123.916 0.76 . . . . 0.0 111.263 -176.502 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 14.2 mmmm 63.02 89.73 0.08 Allowed 'General case' 0 C--O 1.232 0.133 0 O-C-N 123.763 0.664 . . . . 0.0 110.306 -175.1 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 56.0 tttm -64.58 124.51 22.06 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.971 -0.559 . . . . 0.0 109.739 -179.301 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -71.95 -13.9 61.76 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.987 -0.552 . . . . 0.0 111.322 -176.203 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 . . . . . 0 C--O 1.25 1.087 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.069 179.986 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 35' ' ' ALA . . . . . 0.451 ' O ' HD23 ' B' ' 39' ' ' LEU . . . . . . . . 0 N--CA 1.478 0.955 0 CA-C-O 120.83 0.348 . . . . 0.0 110.418 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 36' ' ' GLY . . . . . . . . . . . . . . . 73.29 -174.97 46.63 Favored Glycine 0 N--CA 1.444 -0.824 0 C-N-CA 119.663 -1.256 . . . . 0.0 113.372 175.136 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 85.7 mt -78.29 -7.15 56.87 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-O 120.979 0.419 . . . . 0.0 110.05 176.553 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 75.0 mt -85.19 -33.22 22.32 Favored 'General case' 0 N--CA 1.453 -0.288 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.046 -179.451 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 39' ' ' LEU . . . . . 0.451 HD23 ' O ' ' B' ' 35' ' ' ALA . 3.6 mm? -102.37 -30.77 10.85 Favored 'General case' 0 N--CA 1.451 -0.406 0 CA-C-N 115.998 -0.546 . . . . 0.0 109.664 177.553 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . 120.9 44.14 0.42 Allowed Glycine 0 N--CA 1.453 -0.221 0 C-N-CA 119.355 -1.402 . . . . 0.0 114.339 169.736 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 41' ' ' HIS . . . . . 0.402 ' HB2' ' CB ' ' B' ' 35' ' ' ALA . 28.2 t60 -96.46 99.8 11.44 Favored 'General case' 0 C--N 1.319 -0.729 0 N-CA-C 109.032 -0.729 . . . . 0.0 109.032 171.447 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 42' ' ' GLY . . . . . . . . . . . . . . . -97.66 116.76 5.61 Favored Glycine 0 N--CA 1.442 -0.96 0 C-N-CA 120.518 -0.848 . . . . 0.0 112.75 -177.281 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 43' ' ' PRO . . . . . 0.569 ' HD2' ' SD ' ' B' ' 46' ' ' MET . 26.3 Cg_exo -64.58 179.13 1.39 Allowed 'Trans proline' 0 C--N 1.344 0.297 0 C-N-CA 122.713 2.275 . . . . 0.0 110.772 169.947 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 35.1 pt -52.78 -39.74 32.37 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.422 0 N-CA-C 112.541 0.571 . . . . 0.0 112.541 -172.401 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 45' ' ' ARG . . . . . 0.409 ' HA ' HD13 ' B' ' 80' ' ' ILE . 97.0 mtt180 -60.8 -48.21 82.84 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-O 121.175 0.512 . . . . 0.0 110.643 177.756 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 46' ' ' MET . . . . . 0.569 ' SD ' ' HD2' ' B' ' 43' ' ' PRO . 1.9 mpt? -69.87 -27.93 65.23 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.844 -0.617 . . . . 0.0 110.91 -179.118 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 47' ' ' VAL . . . . . 0.548 HG23 ' O ' ' B' ' 43' ' ' PRO . 90.8 t -58.44 -46.66 89.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 N-CA-C 110.172 -0.307 . . . . 0.0 110.172 176.182 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 11.0 mp -68.37 -31.8 71.43 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.012 177.945 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -66.59 -50.17 63.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.962 0.41 . . . . 0.0 110.995 175.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 50' ' ' ILE . . . . . 0.545 HG13 ' O ' ' B' ' 46' ' ' MET . 54.9 mt -66.91 -29.91 47.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 115.983 -0.553 . . . . 0.0 109.785 178.297 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 51' ' ' LEU . . . . . 0.531 ' O ' ' HG2' ' B' ' 55' ' ' ARG . 16.5 tp -58.32 -56.63 19.6 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.602 -0.726 . . . . 0.0 110.091 174.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -56.66 -39.33 73.55 Favored 'General case' 0 CA--C 1.519 -0.217 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.822 179.779 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 53' ' ' PHE . . . . . 0.431 ' HB3' ' O ' ' B' ' 50' ' ' ILE . 90.3 t80 -52.78 -58.38 7.08 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.779 -0.646 . . . . 0.0 109.697 173.609 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 54' ' ' LEU . . . . . 0.56 HD13 ' H ' ' B' ' 62' ' ' SER . 83.8 mt -70.47 -6.6 37.11 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 112.138 0.422 . . . . 0.0 112.138 -178.277 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 55' ' ' ARG . . . . . 0.531 ' HG2' ' O ' ' B' ' 51' ' ' LEU . 25.1 mmm180 -88.05 -35.44 17.53 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.902 0.382 . . . . 0.0 111.304 177.789 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 56' ' ' PHE . . . . . 0.453 ' CZ ' ' HA ' ' A' ' 84' ' ' PHE . 67.6 m-85 -110.25 -12.43 14.46 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.941 -176.085 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 57' ' ' THR . . . . . . . . . . . . . 22.2 p -108.34 4.5 24.56 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.024 0.44 . . . . 0.0 110.747 177.82 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -164.53 166.43 20.36 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.44 -177.482 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 59' ' ' ILE . . . . . . . . . . . . . 18.9 mm -117.6 50.85 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-O 121.862 0.839 . . . . 0.0 109.416 175.826 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 57.2 tptt 174.62 105.38 0.08 OUTLIER Pre-proline 0 C--N 1.321 -0.662 0 CA-C-N 114.621 -1.172 . . . . 0.0 110.344 -178.148 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 61' ' ' PRO . . . . . 0.513 ' HB2' HD11 ' B' ' 66' ' ' ILE . 5.0 Cg_exo -77.69 134.15 13.36 Favored 'Trans proline' 0 N--CA 1.458 -0.608 0 C-N-CA 122.474 2.116 . . . . 0.0 111.269 173.603 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 62' ' ' SER . . . . . 0.56 ' H ' HD13 ' B' ' 54' ' ' LEU . 6.2 m -58.96 137.94 57.67 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.989 -178.597 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 96.3 mt -62.42 -26.35 68.44 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 115.624 -0.716 . . . . 0.0 112.327 -173.8 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -64.17 -46.85 89.91 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.367 -0.92 . . . . 0.0 111.248 174.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 65' ' ' LEU . . . . . 0.424 HD23 ' HB2' ' B' ' 62' ' ' SER . 4.3 mm? -64.59 -39.99 94.72 Favored 'General case' 0 C--O 1.218 -0.587 0 CA-C-N 115.531 -0.335 . . . . 0.0 110.175 177.023 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 66' ' ' ILE . . . . . 0.513 HD11 ' HB2' ' B' ' 61' ' ' PRO . 36.7 mm -59.81 -43.77 92.56 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.327 0 CA-C-O 121.12 0.486 . . . . 0.0 111.061 178.046 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 67' ' ' ASN . . . . . . . . . . . . . 24.2 t-20 -57.7 -43.05 84.88 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.735 -0.666 . . . . 0.0 111.046 178.8 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 68' ' ' ARG . . . . . . . . . . . . . 22.8 ttm180 -82.62 -23.98 34.07 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.106 0.479 . . . . 0.0 110.246 -178.138 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 69' ' ' TRP . . . . . 0.57 ' CD1' HD11 ' A' ' 95' ' ' ILE . 44.3 t90 -60.77 -52.15 66.3 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.107 -0.951 . . . . 0.0 110.662 176.732 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 70' ' ' GLY . . . . . 0.436 ' HA3' ' HG3' ' A' ' 100' ' ' GLU . . . -69.22 -12.84 66.49 Favored Glycine 0 CA--C 1.521 0.453 0 C-N-CA 120.952 -0.642 . . . . 0.0 112.409 175.724 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 71' ' ' SER . . . . . . . . . . . . . 51.7 m -90.08 -1.51 57.97 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.874 0.368 . . . . 0.0 111.001 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 72' ' ' VAL . . . . . . . . . . . . . 56.0 t -79.35 138.46 19.96 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 N-CA-C 109.495 -0.557 . . . . 0.0 109.495 175.857 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 73' ' ' GLY . . . . . . . . . . . . . . . -59.36 129.07 48.55 Favored Glycine 0 N--CA 1.441 -0.985 0 N-CA-C 110.481 -1.048 . . . . 0.0 110.481 174.811 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 74' ' ' LYS . . . . . 0.523 ' O ' ' HG3' ' B' ' 78' ' ' MET . 0.2 OUTLIER -68.46 -22.82 64.55 Favored 'General case' 0 C--N 1.317 -0.829 0 CA-C-O 121.709 0.766 . . . . 0.0 110.392 -173.506 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 75' ' ' LYS . . . . . . . . . . . . . 20.2 tptm -75.12 -47.96 26.1 Favored 'General case' 0 C--N 1.31 -1.133 0 CA-C-N 114.521 -1.218 . . . . 0.0 109.71 170.95 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 76' ' ' GLU . . . . . 0.515 ' O ' HG13 ' B' ' 80' ' ' ILE . 14.6 tp10 -62.07 -39.75 93.47 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.537 -0.756 . . . . 0.0 110.457 -178.961 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 77' ' ' ALA . . . . . . . . . . . . . . . -57.9 -39.5 78.06 Favored 'General case' 0 N--CA 1.453 -0.289 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.729 178.242 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 78' ' ' MET . . . . . 0.523 ' HG3' ' O ' ' B' ' 74' ' ' LYS . 90.3 mtp -60.78 -44.56 96.63 Favored 'General case' 0 CA--C 1.519 -0.231 0 N-CA-C 109.73 -0.47 . . . . 0.0 109.73 176.779 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 79' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -65.41 -43.18 91.37 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.467 -0.788 . . . . 0.0 110.742 179.26 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 80' ' ' ILE . . . . . 0.515 HG13 ' O ' ' B' ' 76' ' ' GLU . 85.8 mt -61.67 -53.43 48.46 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.617 178.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 81' ' ' ILE . . . . . 0.448 ' O ' ' HG3' ' B' ' 85' ' ' LYS . 35.5 mm -59.61 -39.89 80.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.139 -178.493 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 82' ' ' LYS . . . . . 0.503 ' O ' ' HG2' ' B' ' 86' ' ' LYS . 25.2 ttmm -59.56 -51.24 70.7 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.881 0.372 . . . . 0.0 110.757 178.42 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 83' ' ' LYS . . . . . . . . . . . . . 55.4 mtmt -71.25 -26.52 62.94 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.924 -179.522 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 84' ' ' PHE . . . . . 0.437 ' HA ' ' CZ ' ' A' ' 56' ' ' PHE . 7.2 t80 -64.25 -48.62 75.06 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 109.298 -0.63 . . . . 0.0 109.298 175.459 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 85' ' ' LYS . . . . . 0.448 ' HG3' ' O ' ' B' ' 81' ' ' ILE . 99.4 mttt -59.75 -34.82 73.46 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-N 115.547 -0.751 . . . . 0.0 110.967 177.194 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 86' ' ' LYS . . . . . 0.503 ' HG2' ' O ' ' B' ' 82' ' ' LYS . 74.9 mmtt -65.09 -41.42 95.03 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.548 179.816 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 87' ' ' ASP . . . . . . . . . . . . . 35.3 t70 -72.28 -35.63 68.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.823 0.344 . . . . 0.0 110.134 179.564 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 91.8 mt -58.98 -44.78 91.61 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.055 174.49 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -62.32 -40.43 96.32 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.494 -0.776 . . . . 0.0 110.697 178.257 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 90' ' ' ALA . . . . . 0.624 ' O ' HG13 ' B' ' 94' ' ' ILE . . . -63.34 -46.96 84.19 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.741 179.302 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 91' ' ' MET . . . . . . . . . . . . . 94.9 mmm -63.71 -38.77 92.36 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.581 179.288 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 92' ' ' LEU . . . . . . . . . . . . . 49.6 tp -59.02 -45.86 89.64 Favored 'General case' 0 C--O 1.24 0.553 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.618 176.58 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 93' ' ' ARG . . . . . . . . . . . . . 72.1 mtp180 -58.76 -37.1 75.49 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.503 -0.771 . . . . 0.0 110.788 178.113 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 94' ' ' ILE . . . . . 0.624 HG13 ' O ' ' B' ' 90' ' ' ALA . 27.9 mt -68.84 -36.74 75.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.749 -0.205 . . . . 0.0 110.758 179.267 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 95' ' ' ILE . . . . . 0.569 HD11 ' CD1' ' A' ' 69' ' ' TRP . 19.4 mm -51.42 -53.93 13.86 Favored 'Isoleucine or valine' 0 C--O 1.236 0.354 0 CA-C-O 121.351 0.596 . . . . 0.0 109.929 175.416 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 96' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -82.83 -15.99 49.47 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.736 -0.665 . . . . 0.0 111.155 -176.01 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 97' ' ' ALA . . . . . . . . . . . . . . . -66.45 -43.32 85.87 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 121.033 0.444 . . . . 0.0 110.747 178.268 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 98' ' ' ARG . . . . . 0.601 ' HD3' ' OE2' ' B' ' 100' ' ' GLU . 12.3 ptp180 -93.37 -40.01 10.62 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.765 -0.652 . . . . 0.0 111.027 -175.673 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 99' ' ' LYS . . . . . . . . . . . . . 95.4 mttt 69.59 -13.4 0.39 Allowed 'General case' 0 N--CA 1.467 0.382 0 CA-C-N 115.71 -0.677 . . . . 0.0 111.994 179.658 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 100' ' ' GLU . . . . . 0.601 ' OE2' ' HD3' ' B' ' 98' ' ' ARG . 28.8 mm-40 49.45 45.03 24.13 Favored 'General case' 0 N--CA 1.465 0.312 0 O-C-N 124.006 0.816 . . . . 0.0 111.209 -176.275 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 101' ' ' LYS . . . . . . . . . . . . . 14.3 mmmm 62.78 89.8 0.08 Allowed 'General case' 0 C--O 1.232 0.138 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.342 -175.307 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 102' ' ' LYS . . . . . . . . . . . . . 55.7 tttm -64.67 124.51 22.09 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.114 -0.494 . . . . 0.0 109.917 -179.193 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 103' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -71.89 -14.04 61.83 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.34 -176.112 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 104' ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 . . . . . 0 C--O 1.248 0.977 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.157 179.936 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.043 0 CA-C-O 121.002 0.429 . . . . 0.0 110.396 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -62.8 -29.2 73.28 Favored Glycine 0 N--CA 1.451 -0.363 0 CA-C-N 116.073 -0.512 . . . . 0.0 113.187 -175.731 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -74.49 -19.62 60.3 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 120.613 0.244 . . . . 0.0 111.015 -179.228 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 82.2 mt -99.91 -42.3 6.84 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.893 0.378 . . . . 0.0 110.717 -177.458 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -83.01 -16.73 45.97 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.112 -178.634 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 81.26 4.41 90.47 Favored Glycine 0 N--CA 1.449 -0.453 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.368 178.91 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 65.8 t60 -102.75 107.28 18.11 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 110.333 -0.247 . . . . 0.0 110.333 -179.672 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -98.39 120.02 6.66 Favored Glycine 0 N--CA 1.445 -0.733 0 C-N-CA 120.503 -0.856 . . . . 0.0 112.21 177.304 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.506 ' HD2' ' SD ' ' A' ' 46' ' ' MET . 39.8 Cg_exo -62.18 174.45 2.57 Favored 'Trans proline' 0 C--N 1.345 0.388 0 C-N-CA 122.883 2.388 . . . . 0.0 111.591 173.321 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 22.7 pt -52.38 -41.54 35.47 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.406 0 N-CA-C 112.64 0.607 . . . . 0.0 112.64 -173.384 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 -56.9 -46.87 81.65 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-O 121.354 0.597 . . . . 0.0 110.615 176.747 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' MET . . . . . 0.558 ' HG2' ' HA ' ' B' ' 57' ' ' THR . 70.3 mtp -70.04 -24.3 63.24 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.332 -0.849 . . . . 0.0 111.259 -178.753 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.484 HG23 ' O ' ' A' ' 43' ' ' PRO . 84.4 t -65.73 -48.83 80.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.622 0.249 . . . . 0.0 110.584 177.837 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -62.27 -39.62 93.52 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.931 0.396 . . . . 0.0 110.381 176.865 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -67.78 -48.18 67.05 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.741 -179.045 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.43 ' O ' ' HG ' ' A' ' 54' ' ' LEU . 15.0 tt -69.73 -28.61 37.9 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-O 120.61 0.243 . . . . 0.0 110.674 -177.666 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.641 HD23 ' SD ' ' B' ' 91' ' ' MET . 7.6 tp -68.61 -49.99 54.95 Favored 'General case' 0 N--CA 1.449 -0.506 0 C-N-CA 120.484 -0.486 . . . . 0.0 109.736 179.186 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -57.34 -39.19 75.39 Favored 'General case' 0 CA--C 1.517 -0.302 0 CA-C-O 121.217 0.532 . . . . 0.0 110.199 176.583 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.416 ' HB3' ' O ' ' A' ' 50' ' ' ILE . 88.7 t80 -54.75 -58.76 6.25 Favored 'General case' 0 N--CA 1.45 -0.445 0 CA-C-N 115.295 -0.866 . . . . 0.0 109.538 173.011 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.43 ' HG ' ' O ' ' A' ' 50' ' ' ILE . 89.1 mt -62.28 -18.05 60.25 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.827 -179.61 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.527 ' HG2' ' O ' ' A' ' 51' ' ' LEU . 26.2 mmm180 -77.83 -50.86 11.45 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.807 0.337 . . . . 0.0 111.358 178.376 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' PHE . . . . . 0.544 ' CZ ' ' HA ' ' B' ' 84' ' ' PHE . 54.7 m-85 -96.02 -7.7 35.58 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 112.415 0.524 . . . . 0.0 112.415 -174.043 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' THR . . . . . 0.556 ' HA ' ' HG2' ' B' ' 46' ' ' MET . 31.5 p -107.58 -30.51 8.57 Favored 'General case' 0 C--N 1.323 -0.546 0 C-N-CA 120.075 -0.65 . . . . 0.0 111.467 176.808 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -128.48 -176.56 3.86 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.235 -172.092 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 74.3 mt -120.92 118.77 57.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.15 176.357 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 57.2 tptt 68.27 98.41 0.04 OUTLIER Pre-proline 0 N--CA 1.464 0.252 0 O-C-N 124.09 0.869 . . . . 0.0 111.207 179.474 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 33.8 Cg_exo -61.23 149.68 88.17 Favored 'Trans proline' 0 C--O 1.233 0.241 0 C-N-CA 122.957 2.438 . . . . 0.0 112.216 177.192 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.454 ' HB2' HD23 ' A' ' 65' ' ' LEU . 3.9 m -65.25 139.12 58.6 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.877 -0.601 . . . . 0.0 111.161 -177.794 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -63.56 -21.12 66.17 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.395 -0.821 . . . . 0.0 112.333 -173.022 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -65.67 -44.91 91.68 Favored Glycine 0 C--O 1.238 0.381 0 C-N-CA 120.591 -0.814 . . . . 0.0 111.575 176.115 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.454 HD23 ' HB2' ' A' ' 62' ' ' SER . 3.3 mm? -66.46 -35.45 80.32 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 109.433 -0.58 . . . . 0.0 109.433 175.771 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.448 ' O ' ' HB3' ' A' ' 69' ' ' TRP . 35.6 mm -63.22 -35.05 70.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 115.822 -0.627 . . . . 0.0 110.668 176.798 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 28.1 t-20 -65.51 -43.17 90.92 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.88 178.397 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 33.4 ttm180 -82.48 -18.38 41.85 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.36 0.6 . . . . 0.0 110.255 -179.276 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' TRP . . . . . 0.577 ' NE1' HD11 ' B' ' 95' ' ' ILE . 22.7 t90 -55.58 -47.97 75.59 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.098 -0.956 . . . . 0.0 110.399 175.844 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 70' ' ' GLY . . . . . 0.417 ' HA2' ' HG3' ' B' ' 98' ' ' ARG . . . -82.34 8.14 62.22 Favored Glycine 0 N--CA 1.447 -0.602 0 C-N-CA 120.885 -0.674 . . . . 0.0 112.794 177.942 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 17.0 t -92.1 -11.02 36.88 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 109.529 -0.545 . . . . 0.0 109.529 177.235 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 17.4 t -74.94 136.63 24.71 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 N-CA-C 108.749 -0.834 . . . . 0.0 108.749 174.797 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -77.36 35.98 1.55 Allowed Glycine 0 CA--C 1.52 0.399 0 N-CA-C 114.654 0.622 . . . . 0.0 114.654 -170.356 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 58.0 mttp 62.19 -71.45 0.05 OUTLIER 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 123.734 0.814 . . . . 0.0 112.626 175.205 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 21.7 tptm -58.49 -36.76 74.26 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.898 0.38 . . . . 0.0 110.337 178.141 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.425 ' O ' HG13 ' A' ' 80' ' ' ILE . 16.0 tp10 -60.93 -42.9 99.06 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.012 -0.54 . . . . 0.0 109.967 176.725 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.416 ' O ' HG12 ' A' ' 81' ' ' ILE . . . -62.82 -38.53 91.11 Favored 'General case' 0 C--O 1.223 -0.31 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.404 178.91 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 65.1 mtt -58.89 -39.91 82.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.163 0.506 . . . . 0.0 110.246 177.893 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 18.2 mm-40 -71.31 -45.73 62.36 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.424 -0.807 . . . . 0.0 111.08 178.743 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.425 HG13 ' O ' ' A' ' 76' ' ' GLU . 89.2 mt -60.8 -50.02 82.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.793 178.587 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.416 HG12 ' O ' ' A' ' 77' ' ' ALA . 36.2 mm -64.31 -35.5 74.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.353 -178.153 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 23.3 tptm -63.0 -44.67 95.38 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.912 0.387 . . . . 0.0 110.1 177.774 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 63.9 tttm -70.6 -32.39 69.74 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.042 178.417 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' PHE . . . . . 0.545 ' HA ' ' CZ ' ' B' ' 56' ' ' PHE . 5.2 t80 -62.33 -53.73 50.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.619 -0.718 . . . . 0.0 109.748 177.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -59.15 -36.59 75.53 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.927 177.207 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 53.5 tptt -66.64 -40.55 88.74 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.766 -179.36 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -68.58 -38.07 80.39 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 109.595 -0.52 . . . . 0.0 109.595 178.749 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.541 ' HG ' ' O ' ' A' ' 84' ' ' PHE . 92.7 mt -62.16 -37.02 83.63 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.559 175.644 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.51 ' O ' ' HG3' ' A' ' 93' ' ' ARG . . . -62.72 -48.83 77.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.724 179.356 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 90' ' ' ALA . . . . . 0.563 ' O ' HG13 ' A' ' 94' ' ' ILE . . . -61.7 -45.61 93.22 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.236 177.602 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 91' ' ' MET . . . . . 0.628 ' SD ' HD23 ' B' ' 51' ' ' LEU . 49.8 ttp -56.2 -44.49 79.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.44 -0.8 . . . . 0.0 110.716 178.181 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 67.2 tp -57.82 -41.83 83.06 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.613 -0.721 . . . . 0.0 111.16 179.157 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 93' ' ' ARG . . . . . 0.51 ' HG3' ' O ' ' A' ' 89' ' ' ALA . 30.6 mtm180 -64.37 -34.16 77.53 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.533 -179.63 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 0.563 HG13 ' O ' ' A' ' 90' ' ' ALA . 11.5 mt -74.46 -26.32 20.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.509 179.076 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.582 HD11 ' NE1' ' B' ' 69' ' ' TRP . 21.9 mm -60.88 -44.87 98.7 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.196 0 CA-C-O 121.756 0.789 . . . . 0.0 109.124 171.613 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 45.3 t30 -65.14 -29.27 70.1 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.168 -0.924 . . . . 0.0 109.849 176.345 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -82.36 2.29 33.03 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.681 -0.691 . . . . 0.0 111.566 178.755 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 98' ' ' ARG . . . . . 0.428 ' HG3' ' HA2' ' B' ' 70' ' ' GLY . 6.4 mmp_? -77.33 60.77 2.06 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-O 121.387 0.613 . . . . 0.0 109.781 175.837 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 50.8 tttm 174.62 -49.44 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 107.481 -1.303 . . . . 0.0 107.481 -177.241 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 100' ' ' GLU . . . . . 0.524 ' O ' ' HB2' ' A' ' 101' ' ' LYS . 39.5 tt0 177.37 -66.16 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 113.382 -1.735 . . . . 0.0 108.029 -179.853 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 101' ' ' LYS . . . . . 0.524 ' HB2' ' O ' ' A' ' 100' ' ' GLU . 4.8 tppp? 161.33 -38.05 0.0 OUTLIER 'General case' 0 C--O 1.234 0.266 0 CA-C-N 114.425 -1.261 . . . . 0.0 108.319 -178.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 55.1 mtmt -93.14 142.13 27.65 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 114.835 -1.075 . . . . 0.0 110.094 178.097 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 6.5 ppt_? -78.26 -4.94 50.37 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.542 -176.838 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 80.7 mtp180 . . . . . 0 C--O 1.246 0.912 0 CA-C-O 118.642 -0.694 . . . . 0.0 110.037 175.579 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 0.972 0 CA-C-O 121.05 0.452 . . . . 0.0 110.522 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 36' ' ' GLY . . . . . . . . . . . . . . . -62.68 -28.99 72.45 Favored Glycine 0 N--CA 1.45 -0.376 0 CA-C-N 115.873 -0.603 . . . . 0.0 113.239 -175.824 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -74.71 -19.8 60.1 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 120.614 0.245 . . . . 0.0 111.032 -179.338 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 82.0 mt -99.8 -42.06 6.99 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.912 0.386 . . . . 0.0 110.643 -177.376 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -83.3 -16.73 45.08 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.096 -178.623 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . 81.36 4.35 90.46 Favored Glycine 0 N--CA 1.449 -0.447 0 C-N-CA 120.85 -0.69 . . . . 0.0 112.304 178.918 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 41' ' ' HIS . . . . . . . . . . . . . 65.9 t60 -102.92 107.3 18.07 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.704 0.287 . . . . 0.0 110.294 -179.492 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 42' ' ' GLY . . . . . . . . . . . . . . . -98.65 119.79 6.6 Favored Glycine 0 N--CA 1.444 -0.783 0 C-N-CA 120.466 -0.873 . . . . 0.0 112.24 177.492 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 43' ' ' PRO . . . . . 0.495 ' HD2' ' SD ' ' B' ' 46' ' ' MET . 39.1 Cg_exo -61.95 174.79 2.19 Favored 'Trans proline' 0 C--N 1.346 0.42 0 C-N-CA 122.841 2.361 . . . . 0.0 111.579 173.558 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 22.3 pt -52.64 -41.47 37.77 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.423 0 N-CA-C 112.669 0.618 . . . . 0.0 112.669 -173.405 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 -56.96 -46.94 81.81 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-O 121.356 0.598 . . . . 0.0 110.595 176.715 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 46' ' ' MET . . . . . 0.556 ' HG2' ' HA ' ' A' ' 57' ' ' THR . 70.7 mtp -69.89 -24.39 63.39 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.364 -0.834 . . . . 0.0 111.253 -178.829 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 47' ' ' VAL . . . . . 0.479 HG23 ' O ' ' B' ' 43' ' ' PRO . 84.6 t -65.63 -48.98 80.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-O 120.63 0.252 . . . . 0.0 110.493 177.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -62.19 -39.66 93.46 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.988 0.423 . . . . 0.0 110.338 177.047 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -67.72 -48.17 67.26 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.893 -0.594 . . . . 0.0 111.688 -178.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 50' ' ' ILE . . . . . 0.445 ' O ' ' HG ' ' B' ' 54' ' ' LEU . 15.0 tt -69.71 -28.71 38.3 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 CA-C-O 120.596 0.236 . . . . 0.0 110.599 -177.578 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 51' ' ' LEU . . . . . 0.628 HD23 ' SD ' ' A' ' 91' ' ' MET . 7.5 tp -68.56 -49.97 55.42 Favored 'General case' 0 N--CA 1.448 -0.541 0 C-N-CA 120.483 -0.487 . . . . 0.0 109.819 179.172 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -57.37 -39.09 75.29 Favored 'General case' 0 CA--C 1.518 -0.267 0 CA-C-O 121.109 0.48 . . . . 0.0 110.193 176.503 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 53' ' ' PHE . . . . . 0.415 ' HB3' ' O ' ' B' ' 50' ' ' ILE . 88.9 t80 -54.91 -58.54 7.21 Favored 'General case' 0 N--CA 1.448 -0.534 0 CA-C-N 115.302 -0.863 . . . . 0.0 109.581 173.048 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 54' ' ' LEU . . . . . 0.445 ' HG ' ' O ' ' B' ' 50' ' ' ILE . 88.7 mt -62.45 -18.21 61.23 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.85 -179.622 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 55' ' ' ARG . . . . . 0.522 ' HG2' ' O ' ' B' ' 51' ' ' LEU . 26.2 mmm180 -77.61 -51.06 11.26 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.921 0.391 . . . . 0.0 111.291 178.366 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 56' ' ' PHE . . . . . 0.545 ' CZ ' ' HA ' ' A' ' 84' ' ' PHE . 54.3 m-85 -95.76 -7.76 36.3 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 112.395 0.517 . . . . 0.0 112.395 -173.888 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 57' ' ' THR . . . . . 0.558 ' HA ' ' HG2' ' A' ' 46' ' ' MET . 31.1 p -107.61 -30.67 8.47 Favored 'General case' 0 C--N 1.323 -0.56 0 C-N-CA 120.031 -0.668 . . . . 0.0 111.366 176.893 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -128.77 -177.15 4.08 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.18 -171.938 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 59' ' ' ILE . . . . . . . . . . . . . 75.6 mt -120.49 118.25 56.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.109 176.948 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 57.2 tptt 68.62 98.44 0.04 OUTLIER Pre-proline 0 C--O 1.234 0.269 0 O-C-N 123.99 0.806 . . . . 0.0 111.193 179.53 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 61' ' ' PRO . . . . . . . . . . . . . 34.9 Cg_exo -61.32 149.45 89.39 Favored 'Trans proline' 0 C--O 1.233 0.25 0 C-N-CA 123.059 2.506 . . . . 0.0 112.269 177.155 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 62' ' ' SER . . . . . 0.469 ' HB2' HD23 ' B' ' 65' ' ' LEU . 3.7 m -65.05 138.95 58.66 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.085 -177.848 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -63.5 -20.97 66.05 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.347 -0.842 . . . . 0.0 112.237 -172.942 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -66.06 -44.67 90.91 Favored Glycine 0 C--O 1.239 0.437 0 C-N-CA 120.681 -0.771 . . . . 0.0 111.543 176.313 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 65' ' ' LEU . . . . . 0.469 HD23 ' HB2' ' B' ' 62' ' ' SER . 3.3 mm? -66.53 -35.48 80.35 Favored 'General case' 0 C--O 1.222 -0.363 0 N-CA-C 109.488 -0.56 . . . . 0.0 109.488 175.571 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 66' ' ' ILE . . . . . 0.474 ' O ' ' HB3' ' B' ' 69' ' ' TRP . 35.7 mm -63.32 -35.2 71.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.691 176.792 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 67' ' ' ASN . . . . . . . . . . . . . 28.0 t-20 -65.46 -43.21 91.03 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.685 178.405 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 68' ' ' ARG . . . . . . . . . . . . . 33.3 ttm180 -82.38 -18.4 42.16 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.391 0.615 . . . . 0.0 110.246 -179.224 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 69' ' ' TRP . . . . . 0.582 ' NE1' HD11 ' A' ' 95' ' ' ILE . 22.7 t90 -55.58 -47.85 75.76 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.089 -0.96 . . . . 0.0 110.464 175.914 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 70' ' ' GLY . . . . . 0.428 ' HA2' ' HG3' ' A' ' 98' ' ' ARG . . . -82.8 8.68 61.9 Favored Glycine 0 N--CA 1.448 -0.557 0 C-N-CA 120.91 -0.662 . . . . 0.0 112.773 178.014 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 71' ' ' SER . . . . . . . . . . . . . 13.8 t -92.4 -11.16 35.63 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 109.518 -0.549 . . . . 0.0 109.518 177.046 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 72' ' ' VAL . . . . . . . . . . . . . 17.6 t -74.8 136.49 25.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 N-CA-C 108.77 -0.826 . . . . 0.0 108.77 174.855 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 73' ' ' GLY . . . . . . . . . . . . . . . -76.97 35.53 1.46 Allowed Glycine 0 CA--C 1.522 0.492 0 N-CA-C 114.705 0.642 . . . . 0.0 114.705 -170.298 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 74' ' ' LYS . . . . . 0.4 ' HA ' HG22 ' A' ' 95' ' ' ILE . 58.0 mttp 62.4 -71.3 0.05 OUTLIER 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 123.762 0.825 . . . . 0.0 112.566 175.411 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 75' ' ' LYS . . . . . . . . . . . . . 21.8 tptm -58.77 -36.66 74.77 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.918 0.39 . . . . 0.0 110.262 178.372 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 76' ' ' GLU . . . . . 0.4 ' O ' HG13 ' B' ' 80' ' ' ILE . 15.8 tp10 -60.9 -43.15 98.91 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.003 -0.544 . . . . 0.0 109.884 176.652 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 77' ' ' ALA . . . . . 0.411 ' O ' HG12 ' B' ' 81' ' ' ILE . . . -62.58 -38.53 90.47 Favored 'General case' 0 C--O 1.224 -0.259 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.435 178.945 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 78' ' ' MET . . . . . . . . . . . . . 65.1 mtt -59.04 -39.55 82.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.123 0.487 . . . . 0.0 110.262 177.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 79' ' ' GLU . . . . . . . . . . . . . 19.8 mm-40 -71.75 -45.64 61.07 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.503 -0.771 . . . . 0.0 111.134 178.664 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 80' ' ' ILE . . . . . 0.4 HG13 ' O ' ' B' ' 76' ' ' GLU . 89.2 mt -60.67 -50.14 81.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.778 178.362 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 81' ' ' ILE . . . . . 0.411 HG12 ' O ' ' B' ' 77' ' ' ALA . 36.2 mm -64.35 -35.34 73.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.282 -178.074 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 82' ' ' LYS . . . . . . . . . . . . . 23.2 tptm -63.17 -44.47 95.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.975 0.417 . . . . 0.0 110.121 177.902 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 83' ' ' LYS . . . . . . . . . . . . . 63.7 tttm -70.77 -32.32 69.42 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.124 178.251 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 84' ' ' PHE . . . . . 0.544 ' HA ' ' CZ ' ' A' ' 56' ' ' PHE . 5.3 t80 -62.34 -53.68 51.57 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.649 -0.705 . . . . 0.0 109.798 177.94 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 85' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -59.03 -36.77 75.55 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.852 177.106 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 86' ' ' LYS . . . . . . . . . . . . . 53.7 tptt -66.75 -40.13 88.18 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.855 -179.234 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 87' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -68.61 -38.41 80.56 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 109.52 -0.548 . . . . 0.0 109.52 178.505 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 88' ' ' LEU . . . . . 0.541 ' HG ' ' O ' ' B' ' 84' ' ' PHE . 92.7 mt -62.01 -37.16 83.84 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.552 175.888 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 89' ' ' ALA . . . . . 0.532 ' O ' ' HG3' ' B' ' 93' ' ' ARG . . . -62.59 -48.66 78.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.78 179.336 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 90' ' ' ALA . . . . . 0.555 ' O ' HG13 ' B' ' 94' ' ' ILE . . . -61.96 -45.61 92.89 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.276 177.573 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 91' ' ' MET . . . . . 0.641 ' SD ' HD23 ' A' ' 51' ' ' LEU . 49.5 ttp -56.1 -44.62 79.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.489 -0.778 . . . . 0.0 110.744 178.004 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 92' ' ' LEU . . . . . . . . . . . . . 67.4 tp -57.64 -41.92 82.38 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.599 -0.728 . . . . 0.0 111.255 179.116 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 93' ' ' ARG . . . . . 0.532 ' HG3' ' O ' ' B' ' 89' ' ' ALA . 30.7 mtm180 -64.35 -34.12 77.42 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.514 -179.645 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 94' ' ' ILE . . . . . 0.555 HG13 ' O ' ' B' ' 90' ' ' ALA . 11.9 mt -74.45 -26.4 20.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.421 179.096 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 95' ' ' ILE . . . . . 0.577 HD11 ' NE1' ' A' ' 69' ' ' TRP . 22.1 mm -60.9 -44.76 98.54 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.151 0 CA-C-O 121.705 0.764 . . . . 0.0 109.107 171.812 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 96' ' ' ASN . . . . . . . . . . . . . 45.6 t30 -65.12 -29.34 70.19 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.167 -0.924 . . . . 0.0 109.82 176.316 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 97' ' ' ALA . . . . . . . . . . . . . . . -82.36 2.39 32.55 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.67 -0.696 . . . . 0.0 111.702 178.791 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 98' ' ' ARG . . . . . 0.417 ' HG2' ' O ' ' B' ' 94' ' ' ILE . 6.4 mmp_? -77.47 61.07 2.19 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-O 121.534 0.683 . . . . 0.0 109.646 175.745 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 99' ' ' LYS . . . . . . . . . . . . . 50.9 tttm 174.53 -49.9 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 107.333 -1.358 . . . . 0.0 107.333 -177.446 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 100' ' ' GLU . . . . . 0.515 ' O ' ' HB2' ' B' ' 101' ' ' LYS . 39.2 tt0 177.68 -66.37 0.01 OUTLIER 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 113.352 -1.749 . . . . 0.0 108.024 -179.737 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 101' ' ' LYS . . . . . 0.515 ' HB2' ' O ' ' B' ' 100' ' ' GLU . 4.7 tppp? 161.81 -38.7 0.0 OUTLIER 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 114.437 -1.256 . . . . 0.0 108.133 -179.047 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 102' ' ' LYS . . . . . . . . . . . . . 54.9 mtmt -92.49 142.87 26.94 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 114.937 -1.029 . . . . 0.0 110.095 178.152 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 103' ' ' ARG . . . . . . . . . . . . . 6.5 ppt_? -78.98 -4.7 51.26 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.488 -176.678 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 104' ' ' ARG . . . . . . . . . . . . . 80.6 mtp180 . . . . . 0 C--O 1.246 0.917 0 CA-C-O 118.662 -0.685 . . . . 0.0 110.02 175.602 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.057 0 CA-C-O 120.826 0.346 . . . . 0.0 110.797 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -60.14 -28.61 66.85 Favored Glycine 0 N--CA 1.451 -0.341 0 CA-C-N 115.952 -0.567 . . . . 0.0 112.589 -179.299 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 92.7 mt -64.16 -22.95 67.14 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 120.875 0.369 . . . . 0.0 111.057 178.328 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 86.9 mt -94.65 -32.86 13.2 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.877 0.37 . . . . 0.0 110.639 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -83.58 -11.84 56.85 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.464 -178.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 88.1 31.37 14.65 Favored Glycine 0 N--CA 1.448 -0.515 0 C-N-CA 120.669 -0.776 . . . . 0.0 111.888 179.812 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 55.6 t-80 -133.53 70.49 1.46 Allowed 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 109.574 -0.528 . . . . 0.0 109.574 -179.528 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -97.92 175.87 30.29 Favored Glycine 0 N--CA 1.447 -0.587 0 C-N-CA 120.706 -0.759 . . . . 0.0 111.694 179.195 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.454 ' O ' HG23 ' A' ' 47' ' ' VAL . 32.4 Cg_exo -59.77 170.56 3.46 Favored 'Trans proline' 0 C--N 1.344 0.336 0 C-N-CA 123.028 2.485 . . . . 0.0 112.252 177.325 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.604 ' HB ' HG13 ' A' ' 72' ' ' VAL . 35.4 pt -52.63 -43.28 43.2 Favored 'Isoleucine or valine' 0 C--O 1.24 0.604 0 N-CA-C 112.664 0.616 . . . . 0.0 112.664 -172.162 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 88.8 mtt180 -65.1 -40.48 94.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.124 0.488 . . . . 0.0 110.729 178.749 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' MET . . . . . 0.622 ' O ' HG13 ' A' ' 50' ' ' ILE . 1.8 mpt? -69.47 -25.88 64.3 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.855 176.399 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.507 ' HB ' ' O ' ' A' ' 44' ' ' ILE . 74.9 t -56.73 -48.73 80.45 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.152 0 N-CA-C 109.541 -0.54 . . . . 0.0 109.541 174.009 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -62.19 -38.0 87.43 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.969 -0.56 . . . . 0.0 111.086 176.005 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -63.11 -50.99 68.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.465 178.471 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.622 HG13 ' O ' ' A' ' 46' ' ' MET . 44.9 mt -65.75 -32.84 59.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.063 179.866 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 12.8 tp -60.05 -53.93 52.02 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.119 176.111 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.66 -38.96 82.88 Favored 'General case' 0 CA--C 1.518 -0.26 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.847 179.83 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 82.5 t80 -53.18 -64.2 0.9 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.17 175.263 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.542 HD13 ' HA ' ' A' ' 61' ' ' PRO . 74.6 mt -58.03 -40.21 80.32 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.944 -178.195 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 21.5 mmm180 -64.11 -53.61 46.94 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 112.357 0.502 . . . . 0.0 112.357 -178.811 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' PHE . . . . . 0.524 ' CZ ' HG23 ' B' ' 80' ' ' ILE . 5.6 t80 -79.17 -8.11 58.74 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 120.862 0.363 . . . . 0.0 110.892 -173.897 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' THR . . . . . 0.478 ' HA ' ' HG3' ' B' ' 46' ' ' MET . 49.4 p -97.9 -1.86 42.0 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.141 0.496 . . . . 0.0 110.144 173.378 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . 64.91 33.97 9.5 Favored 'General case' 0 N--CA 1.465 0.275 0 CA-C-N 114.906 -1.043 . . . . 0.0 111.896 179.29 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 65.7 mt -101.57 145.3 11.81 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.684 0 N-CA-C 108.758 -0.83 . . . . 0.0 108.758 174.414 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 60.5 tttp -63.99 119.83 58.62 Favored Pre-proline 0 C--N 1.328 -0.33 0 N-CA-C 110.447 -0.205 . . . . 0.0 110.447 178.153 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' PRO . . . . . 0.542 ' HA ' HD13 ' A' ' 54' ' ' LEU . 31.7 Cg_exo -59.23 115.21 2.41 Favored 'Trans proline' 0 N--CA 1.46 -0.497 0 C-N-CA 122.463 2.109 . . . . 0.0 111.265 175.748 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.413 ' HB2' HD23 ' A' ' 65' ' ' LEU . 8.6 m -57.03 147.61 23.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.853 -179.376 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 98.3 mt -61.89 -23.45 66.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.269 -0.878 . . . . 0.0 112.081 -173.743 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -62.5 -43.85 98.43 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.5 -0.857 . . . . 0.0 111.538 174.503 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.537 ' O ' ' HB2' ' A' ' 69' ' ' TRP . 3.5 mm? -66.71 -43.88 83.13 Favored 'General case' 0 C--O 1.221 -0.406 0 N-CA-C 109.94 -0.393 . . . . 0.0 109.94 177.775 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.463 HD11 ' HB2' ' A' ' 61' ' ' PRO . 40.9 mm -66.48 -34.8 72.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.399 -177.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 65.4 t30 -70.5 -42.87 70.76 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.785 -179.158 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 67.7 ttt180 -86.74 -12.88 46.91 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.217 0.532 . . . . 0.0 110.171 -177.473 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' TRP . . . . . 0.537 ' HB2' ' O ' ' A' ' 65' ' ' LEU . 16.0 t90 -51.31 -53.26 37.62 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.005 -0.998 . . . . 0.0 110.897 178.526 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -86.75 20.57 23.28 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.547 -0.835 . . . . 0.0 112.17 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 23.1 t -123.34 10.06 9.2 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.365 0.602 . . . . 0.0 109.718 178.547 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.604 HG13 ' HB ' ' A' ' 44' ' ' ILE . 78.8 t -81.31 -16.84 12.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-O 122.502 1.144 . . . . 0.0 110.635 179.525 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 80.79 119.82 0.43 Allowed Glycine 0 C--N 1.304 -1.211 0 CA-C-N 113.628 -1.623 . . . . 0.0 110.114 -169.647 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.505 ' O ' ' HG3' ' A' ' 78' ' ' MET . 9.6 ptpp? -63.98 -22.14 66.8 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 117.356 0.578 . . . . 0.0 109.915 -176.782 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 52.8 tptt -63.96 -54.28 36.99 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.432 -0.804 . . . . 0.0 110.174 173.802 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 20.2 tp10 -67.21 -35.99 80.77 Favored 'General case' 0 N--CA 1.451 -0.383 0 CA-C-N 115.565 -0.743 . . . . 0.0 109.954 179.296 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.611 ' O ' HG12 ' A' ' 81' ' ' ILE . . . -57.32 -43.53 83.38 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.585 -0.28 . . . . 0.0 110.706 177.724 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 78' ' ' MET . . . . . 0.622 ' O ' ' HG2' ' A' ' 82' ' ' LYS . 68.6 mtt -59.52 -48.69 80.66 Favored 'General case' 0 CA--C 1.52 -0.191 0 N-CA-C 109.885 -0.413 . . . . 0.0 109.885 176.115 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 51.4 mm-40 -57.87 -42.12 83.89 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.579 -0.737 . . . . 0.0 111.144 178.678 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.537 HG23 ' CZ ' ' B' ' 56' ' ' PHE . 93.0 mt -60.57 -56.04 20.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-N 115.555 -0.748 . . . . 0.0 110.958 176.758 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.611 HG12 ' O ' ' A' ' 77' ' ' ALA . 48.4 mm -56.4 -41.83 72.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.205 -176.583 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 82' ' ' LYS . . . . . 0.622 ' HG2' ' O ' ' A' ' 78' ' ' MET . 34.3 mmtp -60.0 -54.03 50.8 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.481 -0.327 . . . . 0.0 110.995 179.367 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 57.9 mttp -71.69 -24.98 61.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.896 -176.628 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' PHE . . . . . 0.427 ' O ' ' HG ' ' A' ' 88' ' ' LEU . 1.7 t80 -64.91 -48.7 73.2 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 109.04 -0.726 . . . . 0.0 109.04 175.349 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 85' ' ' LYS . . . . . 0.466 ' HG3' ' O ' ' A' ' 81' ' ' ILE . 97.9 mttt -61.72 -34.94 76.68 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.473 -0.785 . . . . 0.0 111.035 178.676 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 86' ' ' LYS . . . . . 0.598 ' HG2' ' O ' ' A' ' 82' ' ' LYS . 32.0 mmmt -64.87 -43.52 92.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.295 -0.412 . . . . 0.0 111.046 -179.762 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -70.12 -36.11 74.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.297 -0.41 . . . . 0.0 109.962 -179.305 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.434 ' HB3' HD12 ' B' ' 81' ' ' ILE . 90.2 mt -61.95 -47.96 82.53 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.517 177.005 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -63.22 -36.21 82.9 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.78 -0.645 . . . . 0.0 110.957 -179.871 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 90' ' ' ALA . . . . . 0.558 ' O ' HG13 ' A' ' 94' ' ' ILE . . . -64.29 -49.66 70.94 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.527 177.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 91' ' ' MET . . . . . 0.582 ' O ' HG12 ' A' ' 95' ' ' ILE . 23.3 mmt -61.55 -36.91 81.95 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.926 -179.933 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.432 ' HB2' HG13 ' B' ' 81' ' ' ILE . 68.5 tp -56.19 -49.57 73.68 Favored 'General case' 0 C--O 1.239 0.539 0 CA-C-O 121.33 0.586 . . . . 0.0 110.854 176.389 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 72.7 ttt180 -61.6 -34.61 75.93 Favored 'General case' 0 N--CA 1.442 -0.86 0 CA-C-N 115.561 -0.745 . . . . 0.0 110.549 -179.762 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 0.558 HG13 ' O ' ' A' ' 90' ' ' ALA . 36.9 mt -72.32 -31.32 38.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.451 -0.34 . . . . 0.0 110.709 179.057 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.582 HG12 ' O ' ' A' ' 91' ' ' MET . 23.1 mm -55.13 -47.85 76.83 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.227 0 N-CA-C 109.37 -0.604 . . . . 0.0 109.37 173.736 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 41.3 t30 -69.08 -41.25 77.79 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.474 -0.784 . . . . 0.0 110.566 176.818 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 97' ' ' ALA . . . . . 0.448 ' HB3' ' HA ' ' A' ' 94' ' ' ILE . . . -62.75 -17.5 61.03 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 112.548 0.573 . . . . 0.0 112.548 -174.3 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 98' ' ' ARG . . . . . 0.546 ' HG3' ' O ' ' A' ' 94' ' ' ILE . 19.6 mtp180 -67.43 -16.54 64.29 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.967 0.413 . . . . 0.0 110.797 177.27 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 2.0 ptpp? -138.14 -62.87 0.57 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.968 177.824 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 56.34 43.17 26.74 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-O 120.993 0.425 . . . . 0.0 111.328 179.181 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 29.4 mtpp 56.68 38.35 29.48 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.355 -0.839 . . . . 0.0 111.864 177.464 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 18.7 ptpt -75.21 128.84 36.37 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.887 0.375 . . . . 0.0 110.331 177.342 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 32.5 ptt180 -155.03 113.74 3.56 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 121.2 0.524 . . . . 0.0 110.316 178.099 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 82.2 mtp180 . . . . . 0 C--O 1.247 0.934 0 CA-C-O 118.421 -0.8 . . . . 0.0 110.046 -179.635 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.015 0 CA-C-O 120.855 0.36 . . . . 0.0 110.618 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 36' ' ' GLY . . . . . . . . . . . . . . . -60.38 -28.26 66.92 Favored Glycine 0 N--CA 1.45 -0.369 0 CA-C-N 115.986 -0.552 . . . . 0.0 112.565 -179.195 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 92.6 mt -64.79 -22.38 66.97 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 120.851 0.357 . . . . 0.0 111.054 178.541 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 86.6 mt -94.96 -33.01 12.92 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.462 -0.335 . . . . 0.0 110.646 179.802 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -83.72 -11.42 57.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.551 -179.007 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . 88.11 30.65 16.48 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.699 -0.762 . . . . 0.0 111.928 179.576 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 41' ' ' HIS . . . . . . . . . . . . . 55.5 t-80 -132.95 70.78 1.47 Allowed 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 109.596 -0.52 . . . . 0.0 109.596 -179.489 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 42' ' ' GLY . . . . . . . . . . . . . . . -98.48 175.15 28.99 Favored Glycine 0 N--CA 1.448 -0.528 0 C-N-CA 120.63 -0.795 . . . . 0.0 111.712 179.156 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 43' ' ' PRO . . . . . 0.455 ' O ' HG23 ' B' ' 47' ' ' VAL . 33.2 Cg_exo -59.15 170.62 2.8 Favored 'Trans proline' 0 C--N 1.343 0.259 0 C-N-CA 123.056 2.504 . . . . 0.0 112.331 177.597 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 44' ' ' ILE . . . . . 0.59 ' HB ' HG13 ' B' ' 72' ' ' VAL . 35.6 pt -52.74 -43.19 44.12 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.598 0 N-CA-C 112.54 0.57 . . . . 0.0 112.54 -171.944 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 89.1 mtt180 -65.28 -40.27 93.65 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.107 0.48 . . . . 0.0 110.721 178.902 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 46' ' ' MET . . . . . 0.607 ' O ' HG13 ' B' ' 50' ' ' ILE . 1.8 mpt? -69.77 -25.76 63.96 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.731 176.358 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 47' ' ' VAL . . . . . 0.508 ' HB ' ' O ' ' B' ' 44' ' ' ILE . 74.5 t -56.74 -48.69 80.51 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.178 0 N-CA-C 109.59 -0.522 . . . . 0.0 109.59 173.953 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -62.15 -38.02 87.43 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.091 175.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -63.1 -51.01 68.26 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.884 0.373 . . . . 0.0 111.437 178.53 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 50' ' ' ILE . . . . . 0.607 HG13 ' O ' ' B' ' 46' ' ' MET . 45.3 mt -65.75 -32.76 59.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.021 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 12.8 tp -60.19 -53.86 52.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.747 -0.66 . . . . 0.0 110.061 176.199 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.62 -38.95 82.71 Favored 'General case' 0 CA--C 1.517 -0.294 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.846 179.809 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 53' ' ' PHE . . . . . . . . . . . . . 82.6 t80 -53.28 -64.28 0.87 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.161 175.326 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 54' ' ' LEU . . . . . 0.549 HD13 ' HA ' ' B' ' 61' ' ' PRO . 74.9 mt -57.82 -40.35 79.8 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.888 -178.262 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 55' ' ' ARG . . . . . . . . . . . . . 21.5 mmm180 -64.21 -52.91 56.53 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 112.496 0.554 . . . . 0.0 112.496 -178.648 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 56' ' ' PHE . . . . . 0.537 ' CZ ' HG23 ' A' ' 80' ' ' ILE . 5.6 t80 -80.03 -7.54 58.89 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 120.913 0.387 . . . . 0.0 110.854 -174.074 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 57' ' ' THR . . . . . 0.487 ' HA ' ' HG3' ' A' ' 46' ' ' MET . 49.9 p -98.43 -1.2 41.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.056 0.455 . . . . 0.0 110.112 173.14 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . 64.1 34.33 11.25 Favored 'General case' 0 C--O 1.233 0.189 0 CA-C-N 115.019 -0.991 . . . . 0.0 111.942 179.337 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 59' ' ' ILE . . . . . . . . . . . . . 66.1 mt -102.08 144.79 12.86 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.674 0 N-CA-C 108.877 -0.786 . . . . 0.0 108.877 174.396 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 60.9 tttp -63.45 119.79 56.59 Favored Pre-proline 0 C--N 1.329 -0.313 0 N-CA-C 110.423 -0.214 . . . . 0.0 110.423 178.457 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 61' ' ' PRO . . . . . 0.549 ' HA ' HD13 ' B' ' 54' ' ' LEU . 32.2 Cg_exo -59.27 115.4 2.55 Favored 'Trans proline' 0 N--CA 1.46 -0.457 0 C-N-CA 122.366 2.044 . . . . 0.0 111.331 175.853 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 62' ' ' SER . . . . . 0.414 ' HB2' HD23 ' B' ' 65' ' ' LEU . 9.7 m -57.22 147.45 25.17 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.321 0.581 . . . . 0.0 110.886 -179.275 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 97.5 mt -61.82 -23.45 66.25 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.179 -0.919 . . . . 0.0 112.039 -173.625 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -62.77 -43.66 98.61 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.55 -0.834 . . . . 0.0 111.519 174.487 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 65' ' ' LEU . . . . . 0.523 ' O ' ' HB2' ' B' ' 69' ' ' TRP . 3.5 mm? -66.59 -44.14 82.99 Favored 'General case' 0 C--O 1.22 -0.47 0 N-CA-C 109.932 -0.395 . . . . 0.0 109.932 177.457 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 66' ' ' ILE . . . . . 0.479 HD11 ' HB2' ' B' ' 61' ' ' PRO . 41.3 mm -66.2 -34.75 72.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.393 -177.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 67' ' ' ASN . . . . . . . . . . . . . 65.4 t30 -70.58 -42.94 70.4 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.685 -178.938 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 68' ' ' ARG . . . . . . . . . . . . . 67.9 ttt180 -86.81 -12.73 47.14 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.248 0.547 . . . . 0.0 110.138 -177.399 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 69' ' ' TRP . . . . . 0.523 ' HB2' ' O ' ' B' ' 65' ' ' LEU . 15.9 t90 -51.41 -53.1 40.12 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.009 -0.996 . . . . 0.0 110.955 178.499 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . -86.59 20.19 24.58 Favored Glycine 0 N--CA 1.45 -0.432 0 C-N-CA 120.529 -0.843 . . . . 0.0 112.187 -179.877 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 71' ' ' SER . . . . . . . . . . . . . 18.1 t -123.1 9.72 9.32 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.349 0.595 . . . . 0.0 109.642 178.683 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 72' ' ' VAL . . . . . 0.59 HG13 ' HB ' ' B' ' 44' ' ' ILE . 79.3 t -80.51 -17.23 12.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 122.348 1.071 . . . . 0.0 110.592 179.552 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 73' ' ' GLY . . . . . . . . . . . . . . . 81.23 120.05 0.48 Allowed Glycine 0 C--N 1.304 -1.217 0 CA-C-N 113.648 -1.614 . . . . 0.0 110.091 -169.575 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 74' ' ' LYS . . . . . 0.504 ' O ' ' HG3' ' B' ' 78' ' ' MET . 9.6 ptpp? -64.4 -21.79 66.75 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 117.427 0.614 . . . . 0.0 109.946 -176.631 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 75' ' ' LYS . . . . . . . . . . . . . 52.7 tptt -64.36 -54.44 32.96 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.423 -0.808 . . . . 0.0 110.031 173.724 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 20.8 tp10 -66.85 -35.94 81.19 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.083 179.271 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 77' ' ' ALA . . . . . 0.621 ' O ' HG12 ' B' ' 81' ' ' ILE . . . -57.45 -43.68 84.16 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.674 177.818 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 78' ' ' MET . . . . . 0.609 ' O ' ' HG2' ' B' ' 82' ' ' LYS . 68.5 mtt -59.15 -49.1 79.14 Favored 'General case' 0 CA--C 1.52 -0.199 0 N-CA-C 109.782 -0.451 . . . . 0.0 109.782 176.137 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 79' ' ' GLU . . . . . . . . . . . . . 45.8 mm-40 -57.71 -42.04 82.96 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.514 -0.767 . . . . 0.0 111.255 178.737 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 80' ' ' ILE . . . . . 0.524 HG23 ' CZ ' ' A' ' 56' ' ' PHE . 93.2 mt -60.5 -56.23 19.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-N 115.582 -0.735 . . . . 0.0 110.935 176.613 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 81' ' ' ILE . . . . . 0.621 HG12 ' O ' ' B' ' 77' ' ' ALA . 48.4 mm -56.17 -41.95 71.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.172 -176.625 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 82' ' ' LYS . . . . . 0.609 ' HG2' ' O ' ' B' ' 78' ' ' MET . 34.3 mmtp -59.96 -53.9 52.37 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.112 179.427 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 83' ' ' LYS . . . . . . . . . . . . . 57.9 mttp -71.79 -24.95 61.83 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.915 -176.891 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 84' ' ' PHE . . . . . 0.429 ' O ' ' HG ' ' B' ' 88' ' ' LEU . 1.7 t80 -64.9 -48.64 73.47 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 109.093 -0.706 . . . . 0.0 109.093 175.413 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 85' ' ' LYS . . . . . 0.457 ' HG3' ' O ' ' B' ' 81' ' ' ILE . 97.7 mttt -61.81 -35.07 77.14 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.372 -0.831 . . . . 0.0 111.108 178.722 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 86' ' ' LYS . . . . . 0.602 ' HG2' ' O ' ' B' ' 82' ' ' LYS . 32.0 mmmt -64.36 -44.19 92.17 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.917 179.915 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 87' ' ' ASP . . . . . 0.4 ' O ' ' HG2' ' B' ' 91' ' ' MET . 14.3 t70 -69.82 -36.03 75.28 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.035 0.445 . . . . 0.0 110.001 -178.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 88' ' ' LEU . . . . . 0.445 ' HB3' HD12 ' A' ' 81' ' ' ILE . 89.9 mt -61.86 -47.92 82.85 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.563 176.892 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -63.55 -35.9 82.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.897 -179.816 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 90' ' ' ALA . . . . . 0.537 ' O ' HG13 ' B' ' 94' ' ' ILE . . . -64.31 -49.73 70.6 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.396 177.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 91' ' ' MET . . . . . 0.579 ' O ' HG12 ' B' ' 95' ' ' ILE . 23.3 mmt -61.56 -36.73 81.45 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.03 -179.894 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 92' ' ' LEU . . . . . 0.439 ' HB2' HG13 ' A' ' 81' ' ' ILE . 68.6 tp -56.4 -49.52 74.27 Favored 'General case' 0 C--O 1.24 0.56 0 CA-C-O 121.348 0.594 . . . . 0.0 110.833 176.379 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 93' ' ' ARG . . . . . . . . . . . . . 72.8 ttt180 -61.48 -34.8 76.08 Favored 'General case' 0 N--CA 1.442 -0.848 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.484 -179.88 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 94' ' ' ILE . . . . . 0.548 ' O ' ' HG3' ' B' ' 98' ' ' ARG . 36.3 mt -72.17 -31.37 39.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.46 -0.336 . . . . 0.0 110.714 179.111 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 95' ' ' ILE . . . . . 0.579 HG12 ' O ' ' B' ' 91' ' ' MET . 23.2 mm -55.15 -47.75 77.0 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.282 0 N-CA-C 109.401 -0.592 . . . . 0.0 109.401 173.73 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 96' ' ' ASN . . . . . . . . . . . . . 41.5 t30 -69.22 -41.2 77.34 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.544 -0.753 . . . . 0.0 110.567 176.882 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 97' ' ' ALA . . . . . 0.44 ' HB3' ' HA ' ' B' ' 94' ' ' ILE . . . -62.56 -17.99 61.13 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 112.604 0.594 . . . . 0.0 112.604 -174.405 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 98' ' ' ARG . . . . . 0.548 ' HG3' ' O ' ' B' ' 94' ' ' ILE . 19.7 mtp180 -67.14 -16.27 64.22 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.906 0.384 . . . . 0.0 110.834 177.313 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 99' ' ' LYS . . . . . . . . . . . . . 2.0 ptpp? -138.53 -62.37 0.57 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.077 177.856 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 100' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER 55.85 43.37 27.69 Favored 'General case' 0 C--O 1.237 0.415 0 CA-C-O 120.927 0.394 . . . . 0.0 111.296 178.921 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 101' ' ' LYS . . . . . . . . . . . . . 29.4 mtpp 56.55 38.36 29.55 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-N 115.325 -0.852 . . . . 0.0 111.801 177.381 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 102' ' ' LYS . . . . . . . . . . . . . 18.7 ptpt -75.08 128.38 35.4 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.887 0.375 . . . . 0.0 110.335 177.515 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 103' ' ' ARG . . . . . . . . . . . . . 32.7 ptt180 -154.67 113.97 3.7 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.395 0.617 . . . . 0.0 110.531 177.788 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 104' ' ' ARG . . . . . . . . . . . . . 82.1 mtp180 . . . . . 0 C--O 1.248 0.982 0 CA-C-O 118.43 -0.795 . . . . 0.0 109.597 -179.948 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.071 0 CA-C-O 120.936 0.398 . . . . 0.0 110.399 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -63.91 -22.92 67.05 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 121.112 -0.565 . . . . 0.0 113.257 -175.2 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.428 ' O ' HD23 ' A' ' 37' ' ' LEU . 5.2 tt -69.55 -36.26 76.17 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 120.968 0.413 . . . . 0.0 110.061 -179.284 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -92.05 -32.45 15.18 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.458 -175.909 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -93.8 -9.92 35.87 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.536 -0.302 . . . . 0.0 111.572 -176.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 84.99 -3.32 87.43 Favored Glycine 0 N--CA 1.453 -0.215 0 C-N-CA 120.622 -0.799 . . . . 0.0 112.068 -179.385 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 29.8 t60 -81.94 61.42 5.24 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.438 0.637 . . . . 0.0 109.829 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.439 ' HA2' ' HD3' ' A' ' 43' ' ' PRO . . . -93.33 135.15 12.47 Favored Glycine 0 N--CA 1.442 -0.908 0 CA-C-N 115.547 -0.751 . . . . 0.0 111.85 178.722 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.51 ' O ' HG23 ' A' ' 47' ' ' VAL . 23.5 Cg_exo -64.65 176.59 2.75 Favored 'Trans proline' 0 C--N 1.343 0.254 0 C-N-CA 122.811 2.341 . . . . 0.0 112.112 176.28 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 22.0 pt -51.14 -39.26 19.99 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.395 0 N-CA-C 112.627 0.603 . . . . 0.0 112.627 -173.823 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 97.7 mtt180 -61.54 -45.58 93.56 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.284 0.564 . . . . 0.0 110.634 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' MET . . . . . 0.587 ' HG2' ' HA ' ' B' ' 57' ' ' THR . 72.5 mtp -70.48 -28.04 64.68 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.63 -0.714 . . . . 0.0 111.154 -179.631 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.51 HG23 ' O ' ' A' ' 43' ' ' PRO . 83.3 t -61.86 -48.18 89.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 120.777 0.323 . . . . 0.0 110.419 177.251 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 87.4 mt -64.52 -37.9 89.14 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.622 178.338 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -66.15 -48.99 68.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.563 179.16 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.404 ' O ' ' HB3' ' A' ' 53' ' ' PHE . 15.9 tt -71.36 -26.83 27.37 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-O 120.733 0.301 . . . . 0.0 110.667 -177.953 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.661 ' O ' ' HG2' ' A' ' 55' ' ' ARG . 11.7 tp -65.33 -54.3 30.94 Favored 'General case' 0 N--CA 1.451 -0.415 0 N-CA-C 109.7 -0.481 . . . . 0.0 109.7 177.097 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -56.93 -40.12 75.76 Favored 'General case' 0 CA--C 1.516 -0.33 0 O-C-N 123.35 0.407 . . . . 0.0 110.303 178.345 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.434 ' CE1' HG21 ' A' ' 57' ' ' THR . 71.1 t80 -51.13 -60.82 2.69 Favored 'General case' 0 N--CA 1.451 -0.399 0 CA-C-N 115.406 -0.815 . . . . 0.0 109.871 173.136 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 96.1 mt -63.08 -23.32 67.39 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.304 -0.407 . . . . 0.0 112.087 -178.466 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.661 ' HG2' ' O ' ' A' ' 51' ' ' LEU . 15.9 mmm180 -72.22 -43.78 63.92 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-O 120.773 0.321 . . . . 0.0 111.073 178.58 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' PHE . . . . . 0.517 ' CZ ' ' HA ' ' B' ' 84' ' ' PHE . 57.9 m-85 -96.56 -14.99 21.85 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 112.172 0.434 . . . . 0.0 112.172 -175.213 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' THR . . . . . 0.57 ' HA ' ' HG2' ' B' ' 46' ' ' MET . 73.2 p -100.8 -23.96 14.49 Favored 'General case' 0 C--N 1.325 -0.488 0 C-N-CA 120.284 -0.566 . . . . 0.0 111.602 178.753 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -131.5 -164.7 1.48 Allowed 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.691 -175.92 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 50.0 mm -93.38 -67.64 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-O 121.589 0.709 . . . . 0.0 110.701 179.568 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.422 ' HA ' ' HD3' ' A' ' 61' ' ' PRO . 88.6 tttt -131.33 127.01 21.61 Favored Pre-proline 0 C--N 1.301 -1.541 0 CA-C-N 114.523 -1.217 . . . . 0.0 110.936 -178.438 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' PRO . . . . . 0.422 ' HD3' ' HA ' ' A' ' 60' ' ' LYS . 28.6 Cg_exo -63.32 151.36 85.25 Favored 'Trans proline' 0 C--N 1.344 0.304 0 C-N-CA 123.093 2.528 . . . . 0.0 112.324 176.113 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 14.7 m -65.79 147.56 53.18 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.663 -0.699 . . . . 0.0 111.123 179.909 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 88.8 mt -63.53 -19.96 65.22 Favored 'General case' 0 C--N 1.334 -0.105 0 CA-C-N 115.268 -0.878 . . . . 0.0 112.066 -173.851 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -62.96 -46.18 94.1 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.895 -0.669 . . . . 0.0 111.503 174.808 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -67.62 -38.49 83.99 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 109.636 -0.505 . . . . 0.0 109.636 177.206 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 47.2 mm -61.91 -35.15 66.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.89 178.191 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 27.5 t-20 -69.42 -41.44 76.34 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.901 179.028 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 27.9 ttm180 -79.56 -18.53 51.54 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.349 0.595 . . . . 0.0 110.084 -178.776 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' TRP . . . . . 0.572 ' NE1' HD11 ' B' ' 95' ' ' ILE . 16.9 t90 -58.61 -47.73 83.37 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 114.918 -1.037 . . . . 0.0 110.997 179.328 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -78.21 0.49 73.86 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.814 -0.708 . . . . 0.0 112.681 -179.807 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 19.4 m -92.02 -3.98 55.1 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.09 0.471 . . . . 0.0 110.512 179.701 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 45.6 t -77.64 140.58 16.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-N 115.89 -0.595 . . . . 0.0 109.996 178.004 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -64.71 135.8 38.46 Favored Glycine 0 N--CA 1.439 -1.106 0 N-CA-C 110.512 -1.035 . . . . 0.0 110.512 174.467 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.465 ' O ' ' HG3' ' A' ' 78' ' ' MET . 30.5 mmtm -68.04 -33.36 74.43 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-O 121.162 0.506 . . . . 0.0 109.721 -173.032 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 20.7 tptm -69.21 -47.43 64.83 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.363 -0.835 . . . . 0.0 110.023 174.95 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.43 ' O ' HG13 ' A' ' 80' ' ' ILE . 5.1 tp10 -59.72 -43.83 93.98 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.358 -0.837 . . . . 0.0 109.936 -179.471 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.401 ' O ' HG12 ' A' ' 81' ' ' ILE . . . -58.36 -42.53 87.12 Favored 'General case' 0 N--CA 1.453 -0.292 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.908 179.038 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 78' ' ' MET . . . . . 0.465 ' HG3' ' O ' ' A' ' 74' ' ' LYS . 61.1 mtt -58.16 -43.96 87.7 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-O 120.932 0.396 . . . . 0.0 110.646 179.43 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.448 ' O ' ' HG3' ' A' ' 83' ' ' LYS . 36.5 mt-10 -72.39 -40.42 67.24 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.773 -0.649 . . . . 0.0 111.209 -178.788 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.43 HG13 ' O ' ' A' ' 76' ' ' GLU . 96.4 mt -62.04 -47.98 90.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.683 0.278 . . . . 0.0 110.598 178.39 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.401 HG12 ' O ' ' A' ' 77' ' ' ALA . 39.1 mm -61.02 -37.05 76.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.716 178.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 82' ' ' LYS . . . . . 0.407 ' HB2' ' NZ ' ' A' ' 82' ' ' LYS . 0.0 OUTLIER -62.08 -46.97 86.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.337 176.766 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.448 ' HG3' ' O ' ' A' ' 79' ' ' GLU . 90.9 mttt -67.2 -35.95 80.7 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.538 179.54 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 84' ' ' PHE . . . . . 0.529 ' HA ' ' CZ ' ' B' ' 56' ' ' PHE . 2.2 t80 -62.41 -49.72 74.37 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.066 179.629 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -63.14 -31.59 72.77 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.735 178.489 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 16.8 tppt? -65.21 -47.3 77.35 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.409 179.147 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -68.4 -32.26 72.2 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.771 -179.605 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.462 ' HG ' ' O ' ' A' ' 84' ' ' PHE . 91.8 mt -66.03 -38.66 88.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.476 175.6 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.447 ' O ' ' HG3' ' A' ' 93' ' ' ARG . . . -62.18 -47.97 82.13 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.321 177.783 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 90' ' ' ALA . . . . . 0.613 ' O ' HG13 ' A' ' 94' ' ' ILE . . . -60.45 -48.35 82.15 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.159 176.656 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 91' ' ' MET . . . . . 0.449 ' O ' HG12 ' A' ' 95' ' ' ILE . 39.4 ttm -51.9 -49.23 63.44 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.414 -0.812 . . . . 0.0 111.013 178.613 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 48.8 tp -56.74 -46.17 81.53 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.546 -0.752 . . . . 0.0 111.545 -179.236 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 93' ' ' ARG . . . . . 0.447 ' HG3' ' O ' ' A' ' 89' ' ' ALA . 27.0 mtm180 -64.95 -33.9 77.14 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.328 -0.397 . . . . 0.0 110.788 -177.829 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 0.613 HG13 ' O ' ' A' ' 90' ' ' ALA . 25.9 mt -73.05 -31.2 34.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.599 -0.273 . . . . 0.0 110.556 179.462 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.57 HD11 ' NE1' ' B' ' 69' ' ' TRP . 24.4 mm -55.99 -50.14 71.24 Favored 'Isoleucine or valine' 0 C--O 1.232 0.151 0 CA-C-O 121.6 0.714 . . . . 0.0 109.164 171.821 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 96' ' ' ASN . . . . . 0.581 ' O ' ' HG2' ' A' ' 99' ' ' LYS . 43.4 m-80 -67.46 -21.6 65.53 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.026 -0.988 . . . . 0.0 110.741 178.722 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -82.58 10.79 6.67 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 120.913 0.387 . . . . 0.0 110.662 178.036 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 98' ' ' ARG . . . . . 0.483 ' HA ' ' NE ' ' A' ' 98' ' ' ARG . 4.0 mmp_? -125.45 29.61 5.98 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.685 178.164 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 99' ' ' LYS . . . . . 0.581 ' HG2' ' O ' ' A' ' 96' ' ' ASN . 22.0 pttp -102.37 -34.48 9.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.458 -0.337 . . . . 0.0 111.31 -179.513 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 100' ' ' GLU . . . . . 0.414 ' HB2' ' O ' ' A' ' 99' ' ' LYS . 2.3 mp0 70.15 -48.8 0.64 Allowed 'General case' 0 N--CA 1.469 0.494 0 C-N-CA 123.465 0.706 . . . . 0.0 112.021 -177.14 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 59.0 pttt -118.37 155.55 30.5 Favored 'General case' 0 N--CA 1.447 -0.597 0 CA-C-O 120.957 0.408 . . . . 0.0 111.238 -178.313 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 102' ' ' LYS . . . . . 0.441 ' HG3' ' H ' ' A' ' 103' ' ' ARG . 50.7 tptt -165.61 174.71 9.57 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 108.137 -1.06 . . . . 0.0 108.137 179.651 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 103' ' ' ARG . . . . . 0.441 ' H ' ' HG3' ' A' ' 102' ' ' LYS . 80.5 mtp180 -60.51 -48.99 79.32 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 109.42 -0.585 . . . . 0.0 109.42 174.096 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 2.9 tmt_? . . . . . 0 C--O 1.245 0.819 0 N-CA-C 108.771 -0.825 . . . . 0.0 108.771 175.469 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 35' ' ' ALA . . . . . 0.403 ' HB1' HD23 ' B' ' 38' ' ' LEU . . . . . . . . 0 N--CA 1.479 0.996 0 CA-C-O 121.067 0.461 . . . . 0.0 110.496 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 36' ' ' GLY . . . . . . . . . . . . . . . -63.63 -23.03 66.64 Favored Glycine 0 N--CA 1.451 -0.36 0 CA-C-N 115.892 -0.594 . . . . 0.0 113.175 -175.3 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 37' ' ' LEU . . . . . 0.446 ' O ' HD23 ' B' ' 37' ' ' LEU . 5.2 tt -69.55 -36.21 76.13 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 120.998 0.427 . . . . 0.0 110.072 -179.211 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 38' ' ' LEU . . . . . 0.403 HD23 ' HB1' ' B' ' 35' ' ' ALA . 3.1 mm? -91.86 -33.07 15.08 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.35 -0.387 . . . . 0.0 111.383 -176.08 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -93.39 -9.48 38.53 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.657 -176.675 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . 84.92 -3.67 86.68 Favored Glycine 0 N--CA 1.453 -0.222 0 C-N-CA 120.651 -0.785 . . . . 0.0 112.054 -179.653 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 41' ' ' HIS . . . . . . . . . . . . . 30.1 t60 -81.84 61.34 5.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.502 0.668 . . . . 0.0 109.88 -179.837 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 42' ' ' GLY . . . . . 0.4 ' HA2' ' HD3' ' B' ' 43' ' ' PRO . . . -93.06 135.47 12.66 Favored Glycine 0 N--CA 1.44 -1.036 0 CA-C-N 115.474 -0.785 . . . . 0.0 111.844 178.477 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 43' ' ' PRO . . . . . 0.495 ' O ' HG23 ' B' ' 47' ' ' VAL . 23.5 Cg_exo -64.94 176.68 2.85 Favored 'Trans proline' 0 C--N 1.342 0.235 0 C-N-CA 122.759 2.306 . . . . 0.0 112.072 176.036 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 21.9 pt -51.05 -39.28 19.46 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.382 0 N-CA-C 112.695 0.628 . . . . 0.0 112.695 -173.944 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 97.7 mtt180 -61.73 -45.61 93.22 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.189 0.519 . . . . 0.0 110.566 -179.892 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 46' ' ' MET . . . . . 0.57 ' HG2' ' HA ' ' A' ' 57' ' ' THR . 72.5 mtp -70.33 -28.0 64.81 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.626 -0.716 . . . . 0.0 111.225 -179.773 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 47' ' ' VAL . . . . . 0.495 HG23 ' O ' ' B' ' 43' ' ' PRO . 83.4 t -61.84 -48.19 89.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 120.852 0.358 . . . . 0.0 110.466 177.221 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 86.5 mt -64.54 -37.8 88.8 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.586 178.378 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -66.24 -48.93 68.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.544 179.178 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 50' ' ' ILE . . . . . 0.403 ' O ' ' HB3' ' B' ' 53' ' ' PHE . 15.8 tt -71.43 -26.82 27.19 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 CA-C-O 120.704 0.287 . . . . 0.0 110.668 -178.003 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 51' ' ' LEU . . . . . 0.669 ' O ' ' HG2' ' B' ' 55' ' ' ARG . 11.6 tp -65.39 -54.2 32.15 Favored 'General case' 0 N--CA 1.45 -0.454 0 N-CA-C 109.744 -0.465 . . . . 0.0 109.744 177.077 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -56.96 -40.1 75.82 Favored 'General case' 0 CA--C 1.517 -0.307 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.327 178.384 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 53' ' ' PHE . . . . . 0.437 ' CE1' HG21 ' B' ' 57' ' ' THR . 71.1 t80 -51.19 -60.79 2.73 Favored 'General case' 0 N--CA 1.451 -0.397 0 CA-C-N 115.318 -0.856 . . . . 0.0 109.889 173.161 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 54' ' ' LEU . . . . . . . . . . . . . 96.3 mt -63.07 -23.35 67.41 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 112.088 0.403 . . . . 0.0 112.088 -178.505 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 55' ' ' ARG . . . . . 0.669 ' HG2' ' O ' ' B' ' 51' ' ' LEU . 15.8 mmm180 -72.07 -43.99 64.0 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.845 0.355 . . . . 0.0 111.093 178.613 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 56' ' ' PHE . . . . . 0.529 ' CZ ' ' HA ' ' A' ' 84' ' ' PHE . 58.1 m-85 -96.54 -14.81 22.01 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 112.203 0.446 . . . . 0.0 112.203 -175.198 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 57' ' ' THR . . . . . 0.587 ' HA ' ' HG2' ' A' ' 46' ' ' MET . 73.2 p -101.0 -23.65 14.48 Favored 'General case' 0 C--N 1.326 -0.451 0 C-N-CA 120.3 -0.56 . . . . 0.0 111.662 178.6 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -131.69 -164.68 1.48 Allowed 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.729 -176.041 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 59' ' ' ILE . . . . . . . . . . . . . 49.8 mm -93.31 -67.62 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 CA-C-O 121.656 0.741 . . . . 0.0 110.661 179.42 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 60' ' ' LYS . . . . . 0.434 ' HA ' ' HD3' ' B' ' 61' ' ' PRO . 88.5 tttt -131.48 127.18 21.52 Favored Pre-proline 0 C--N 1.3 -1.559 0 CA-C-N 114.54 -1.209 . . . . 0.0 110.999 -178.316 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 61' ' ' PRO . . . . . 0.434 ' HD3' ' HA ' ' B' ' 60' ' ' LYS . 29.3 Cg_exo -63.28 151.36 85.23 Favored 'Trans proline' 0 C--O 1.235 0.359 0 C-N-CA 123.064 2.509 . . . . 0.0 112.394 176.315 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 14.1 m -65.59 147.68 53.01 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.753 -0.658 . . . . 0.0 111.062 179.758 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 89.3 mt -63.91 -19.39 65.06 Favored 'General case' 0 C--N 1.333 -0.118 0 CA-C-N 115.31 -0.859 . . . . 0.0 111.96 -173.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -63.51 -45.8 93.92 Favored Glycine 0 N--CA 1.45 -0.415 0 C-N-CA 120.709 -0.758 . . . . 0.0 111.534 174.739 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -67.69 -38.71 84.06 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 109.611 -0.514 . . . . 0.0 109.611 177.156 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 66' ' ' ILE . . . . . . . . . . . . . 47.2 mm -61.71 -35.29 66.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.882 178.205 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 67' ' ' ASN . . . . . . . . . . . . . 27.4 t-20 -69.11 -42.26 76.32 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.707 179.084 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 68' ' ' ARG . . . . . . . . . . . . . 27.8 ttm180 -79.04 -18.46 53.48 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.387 0.613 . . . . 0.0 110.086 -178.543 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 69' ' ' TRP . . . . . 0.57 ' NE1' HD11 ' A' ' 95' ' ' ILE . 16.9 t90 -58.63 -47.77 83.27 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.001 -1.0 . . . . 0.0 111.019 179.259 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . -77.77 -0.2 73.67 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.695 -179.76 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 71' ' ' SER . . . . . . . . . . . . . 21.0 m -91.53 -4.28 55.6 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.115 0.483 . . . . 0.0 110.622 -179.901 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 72' ' ' VAL . . . . . . . . . . . . . 44.9 t -77.42 140.21 17.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.055 177.929 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 73' ' ' GLY . . . . . . . . . . . . . . . -64.42 135.9 39.34 Favored Glycine 0 N--CA 1.44 -1.097 0 N-CA-C 110.411 -1.076 . . . . 0.0 110.411 174.563 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 74' ' ' LYS . . . . . 0.475 ' O ' ' HG3' ' B' ' 78' ' ' MET . 30.7 mmtm -68.37 -33.2 73.84 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-O 121.136 0.493 . . . . 0.0 109.712 -172.896 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 75' ' ' LYS . . . . . . . . . . . . . 20.8 tptm -69.17 -47.7 64.24 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.448 -0.796 . . . . 0.0 110.056 174.715 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 76' ' ' GLU . . . . . 0.427 ' O ' HG13 ' B' ' 80' ' ' ILE . 5.2 tp10 -59.43 -43.79 93.02 Favored 'General case' 0 N--CA 1.451 -0.38 0 CA-C-N 115.448 -0.796 . . . . 0.0 109.987 -179.442 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 77' ' ' ALA . . . . . . . . . . . . . . . -58.41 -42.63 87.61 Favored 'General case' 0 N--CA 1.454 -0.269 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.88 179.098 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 78' ' ' MET . . . . . 0.475 ' HG3' ' O ' ' B' ' 74' ' ' LYS . 61.2 mtt -57.96 -43.75 86.64 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.722 179.358 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 79' ' ' GLU . . . . . 0.443 ' O ' ' HG3' ' B' ' 83' ' ' LYS . 37.0 mt-10 -72.86 -40.07 65.98 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.79 -0.641 . . . . 0.0 111.123 -178.637 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 80' ' ' ILE . . . . . 0.427 HG13 ' O ' ' B' ' 76' ' ' GLU . 96.6 mt -62.2 -47.89 90.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.674 0.273 . . . . 0.0 110.62 178.293 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 81' ' ' ILE . . . . . . . . . . . . . 39.1 mm -61.14 -37.11 76.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.735 179.025 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 82' ' ' LYS . . . . . 0.413 ' HB2' ' NZ ' ' B' ' 82' ' ' LYS . 0.0 OUTLIER -62.1 -46.93 86.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.35 176.726 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 83' ' ' LYS . . . . . 0.443 ' HG3' ' O ' ' B' ' 79' ' ' GLU . 90.8 mttt -67.1 -36.09 81.2 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.53 179.427 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 84' ' ' PHE . . . . . 0.517 ' HA ' ' CZ ' ' A' ' 56' ' ' PHE . 2.2 t80 -62.28 -49.83 74.09 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.046 179.725 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 85' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -62.98 -31.44 72.56 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.74 178.479 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 86' ' ' LYS . . . . . . . . . . . . . 16.8 tppt? -65.63 -46.75 78.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.449 179.47 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 87' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -68.73 -32.29 71.96 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.727 -179.678 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 88' ' ' LEU . . . . . 0.459 ' HG ' ' O ' ' B' ' 84' ' ' PHE . 92.0 mt -66.12 -38.68 88.76 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.46 175.677 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 89' ' ' ALA . . . . . 0.455 ' O ' ' HG3' ' B' ' 93' ' ' ARG . . . -62.13 -47.71 83.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.359 177.649 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 90' ' ' ALA . . . . . 0.618 ' O ' HG13 ' B' ' 94' ' ' ILE . . . -60.73 -48.1 83.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.176 176.749 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 91' ' ' MET . . . . . 0.451 ' O ' HG12 ' B' ' 95' ' ' ILE . 40.0 ttm -52.19 -49.22 64.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.404 -0.816 . . . . 0.0 110.891 178.678 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 92' ' ' LEU . . . . . . . . . . . . . 48.9 tp -56.63 -46.31 81.05 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.588 -0.733 . . . . 0.0 111.485 -179.236 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 93' ' ' ARG . . . . . 0.455 ' HG3' ' O ' ' B' ' 89' ' ' ALA . 26.6 mtm180 -64.8 -34.12 77.6 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.83 -177.836 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 94' ' ' ILE . . . . . 0.618 HG13 ' O ' ' B' ' 90' ' ' ALA . 24.5 mt -72.78 -31.38 36.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.662 -0.245 . . . . 0.0 110.544 179.453 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 95' ' ' ILE . . . . . 0.572 HD11 ' NE1' ' A' ' 69' ' ' TRP . 24.4 mm -55.88 -49.88 72.19 Favored 'Isoleucine or valine' 0 C--O 1.232 0.176 0 N-CA-C 109.093 -0.706 . . . . 0.0 109.093 171.805 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 96' ' ' ASN . . . . . 0.584 ' O ' ' HG2' ' B' ' 99' ' ' LYS . 44.4 m-80 -67.69 -21.62 65.32 Favored 'General case' 0 CA--C 1.517 -0.302 0 CA-C-N 115.142 -0.935 . . . . 0.0 110.817 178.785 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 97' ' ' ALA . . . . . . . . . . . . . . . -82.59 10.64 6.98 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 120.892 0.377 . . . . 0.0 110.789 178.143 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 98' ' ' ARG . . . . . 0.489 ' NE ' ' HA ' ' B' ' 98' ' ' ARG . 4.1 mmp_? -125.38 30.03 5.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.6 178.186 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 99' ' ' LYS . . . . . 0.584 ' HG2' ' O ' ' B' ' 96' ' ' ASN . 22.1 pttp -102.65 -34.32 9.11 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.503 -0.317 . . . . 0.0 111.351 -179.453 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 100' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 70.24 -49.05 0.64 Allowed 'General case' 0 N--CA 1.469 0.506 0 C-N-CA 123.75 0.82 . . . . 0.0 111.948 -177.141 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 101' ' ' LYS . . . . . . . . . . . . . 59.2 pttt -118.39 155.28 30.98 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 120.977 0.417 . . . . 0.0 111.134 -178.039 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 102' ' ' LYS . . . . . 0.447 ' HG3' ' H ' ' B' ' 103' ' ' ARG . 50.6 tptt -165.11 174.84 9.93 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 108.218 -1.03 . . . . 0.0 108.218 179.755 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 103' ' ' ARG . . . . . 0.447 ' H ' ' HG3' ' B' ' 102' ' ' LYS . 80.7 mtp180 -60.59 -48.81 80.11 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 109.553 -0.536 . . . . 0.0 109.553 173.88 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 104' ' ' ARG . . . . . . . . . . . . . 2.8 tmt_? . . . . . 0 C--O 1.247 0.952 0 CA-C-O 118.424 -0.798 . . . . 0.0 109.058 175.102 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.113 0 CA-C-O 120.963 0.411 . . . . 0.0 110.325 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -58.9 -41.22 96.1 Favored Glycine 0 CA--C 1.506 -0.492 0 CA-C-N 115.976 -0.556 . . . . 0.0 113.353 -175.431 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 6.5 mp -68.37 -6.63 25.48 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.914 0.357 . . . . 0.0 111.617 -175.899 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 88.5 mt -114.18 -40.56 3.66 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.658 -0.247 . . . . 0.0 111.104 179.341 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -97.96 -54.85 2.96 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.651 0.263 . . . . 0.0 111.617 -177.232 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.69 ' O ' ' HD2' ' A' ' 43' ' ' PRO . . . -73.37 -34.03 58.06 Favored Glycine 0 C--O 1.22 -0.768 0 C-N-CA 120.726 -0.75 . . . . 0.0 111.984 -174.941 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 59.6 t-80 -66.01 87.67 0.1 Allowed 'General case' 0 C--N 1.319 -0.752 0 C-N-CA 123.009 0.524 . . . . 0.0 110.849 177.652 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 166.7 -55.07 0.24 Allowed Glycine 0 CA--C 1.522 0.483 0 C-N-CA 120.373 -0.918 . . . . 0.0 113.824 178.803 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.69 ' HD2' ' O ' ' A' ' 40' ' ' GLY . 71.5 Cg_exo -43.68 157.57 0.13 Allowed 'Trans proline' 0 C--N 1.351 0.707 0 C-N-CA 123.521 2.814 . . . . 0.0 113.804 174.237 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 18.9 pt -53.0 -36.48 24.23 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.457 0 N-CA-C 114.053 1.131 . . . . 0.0 114.053 -168.29 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.449 ' HG2' HG12 ' A' ' 80' ' ' ILE . 95.6 mtt180 -60.03 -44.03 94.92 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-O 121.501 0.667 . . . . 0.0 110.163 176.59 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' MET . . . . . 0.618 ' O ' HG13 ' A' ' 50' ' ' ILE . 1.7 mpt? -69.85 -29.56 66.84 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.147 -0.933 . . . . 0.0 110.527 179.65 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.407 ' CG2' ' HD2' ' A' ' 68' ' ' ARG . 96.2 t -58.28 -46.75 88.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-O 120.659 0.266 . . . . 0.0 110.441 177.167 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 11.1 mp -66.26 -35.67 81.01 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.942 177.476 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -66.86 -46.75 74.05 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.9 0.381 . . . . 0.0 111.23 177.61 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.618 HG13 ' O ' ' A' ' 46' ' ' MET . 66.2 mt -64.95 -33.8 66.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.059 -0.519 . . . . 0.0 109.686 177.755 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.505 ' O ' ' HG2' ' A' ' 55' ' ' ARG . 5.4 tp -59.8 -55.95 27.84 Favored 'General case' 0 N--CA 1.451 -0.422 0 CA-C-N 115.659 -0.701 . . . . 0.0 110.046 175.725 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -55.29 -39.03 69.39 Favored 'General case' 0 C--O 1.233 0.205 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.771 179.458 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.421 ' HB3' ' O ' ' A' ' 50' ' ' ILE . 77.2 t80 -54.84 -57.58 11.0 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.672 -0.694 . . . . 0.0 110.003 173.867 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 94.7 mt -69.32 -11.51 60.87 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.848 -178.191 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.505 ' HG2' ' O ' ' A' ' 51' ' ' LEU . 23.1 mmm180 -81.8 -48.48 11.55 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.092 0.472 . . . . 0.0 110.786 176.196 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' PHE . . . . . 0.407 ' O ' ' HG3' ' B' ' 46' ' ' MET . 77.2 m-85 -96.78 -15.52 21.3 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.052 -0.522 . . . . 0.0 112.292 -173.774 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 12.0 p -110.24 -3.34 16.33 Favored 'General case' 0 C--N 1.325 -0.477 0 C-N-CA 120.274 -0.57 . . . . 0.0 111.225 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -152.18 179.51 8.45 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.722 -175.562 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 50.0 mm -114.72 113.76 44.62 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-N 115.887 -0.597 . . . . 0.0 109.809 176.875 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 20.8 ttpt 68.3 110.2 0.03 OUTLIER Pre-proline 0 N--CA 1.464 0.266 0 O-C-N 123.971 0.795 . . . . 0.0 111.224 -179.335 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 36.9 Cg_exo -61.04 147.66 95.06 Favored 'Trans proline' 0 C--O 1.232 0.215 0 C-N-CA 122.544 2.163 . . . . 0.0 111.61 174.6 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 9.5 m -61.81 141.9 57.64 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.472 -179.091 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 89.7 mt -61.62 -23.41 66.02 Favored 'General case' 0 N--CA 1.462 0.157 0 CA-C-N 115.612 -0.722 . . . . 0.0 112.356 -171.753 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -62.43 -47.05 92.29 Favored Glycine 0 C--O 1.24 0.472 0 C-N-CA 120.478 -0.868 . . . . 0.0 111.338 174.68 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -64.71 -42.42 95.28 Favored 'General case' 0 C--O 1.22 -0.482 0 N-CA-C 109.891 -0.411 . . . . 0.0 109.891 176.678 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 39.6 mm -59.18 -42.09 85.75 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.257 0 CA-C-O 121.135 0.493 . . . . 0.0 110.857 178.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 27.4 t-20 -59.41 -44.92 92.76 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.98 179.006 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.407 ' HD2' ' CG2' ' A' ' 47' ' ' VAL . 29.8 ttm180 -78.05 -28.38 48.95 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.348 0.594 . . . . 0.0 109.546 -177.95 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 69' ' ' TRP . . . . . 0.608 ' NE1' HD11 ' B' ' 95' ' ' ILE . 31.9 t90 -60.51 -46.43 90.19 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 114.842 -1.072 . . . . 0.0 110.61 177.783 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -71.73 -15.01 75.6 Favored Glycine 0 N--CA 1.449 -0.443 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.327 177.534 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 25.2 m -87.82 -14.49 39.4 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.781 0.324 . . . . 0.0 110.955 -178.654 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 55.0 t -63.58 136.41 26.28 Favored 'Isoleucine or valine' 0 C--O 1.239 0.539 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.602 178.131 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -62.91 140.4 45.65 Favored Glycine 0 N--CA 1.443 -0.847 0 N-CA-C 111.127 -0.789 . . . . 0.0 111.127 177.121 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.442 ' HE3' ' HA ' ' B' ' 99' ' ' LYS . 41.4 mmtt -72.3 -32.18 66.35 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-O 120.998 0.427 . . . . 0.0 110.029 -171.648 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 22.8 tptm -65.91 -47.9 73.21 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.648 -0.705 . . . . 0.0 109.446 173.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.606 ' O ' HG13 ' A' ' 80' ' ' ILE . 5.1 tp10 -58.91 -48.26 82.07 Favored 'General case' 0 N--CA 1.448 -0.554 0 CA-C-N 115.077 -0.965 . . . . 0.0 109.89 179.651 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.401 ' O ' HG12 ' A' ' 81' ' ' ILE . . . -56.55 -41.77 77.41 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.46 -178.946 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 78' ' ' MET . . . . . 0.407 ' HG3' ' O ' ' A' ' 74' ' ' LYS . 63.9 mtt -59.42 -43.12 93.1 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-O 120.832 0.348 . . . . 0.0 110.55 178.662 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.528 ' O ' ' HG2' ' A' ' 83' ' ' LYS . 38.9 mt-10 -70.44 -40.78 73.56 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.804 179.2 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.606 HG13 ' O ' ' A' ' 76' ' ' GLU . 84.8 mt -60.56 -49.82 82.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.675 179.231 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.401 HG12 ' O ' ' A' ' 77' ' ' ALA . 42.6 mm -59.96 -37.73 73.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.58 178.848 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 57.9 tttm -62.54 -46.19 89.5 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.362 178.529 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.528 ' HG2' ' O ' ' A' ' 79' ' ' GLU . 11.6 mmpt? -66.68 -38.24 86.39 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.385 178.713 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 84' ' ' PHE . . . . . 0.427 ' O ' ' HG ' ' A' ' 88' ' ' LEU . 2.2 t80 -62.2 -49.71 74.68 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.246 -179.011 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -61.57 -34.39 75.51 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.852 178.933 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 86.9 tttt -65.2 -44.44 88.36 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.662 178.914 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 87' ' ' ASP . . . . . 0.618 ' O ' ' HG3' ' A' ' 91' ' ' MET . 16.8 t70 -68.88 -35.61 77.09 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 110.05 -0.352 . . . . 0.0 110.05 -178.6 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.427 ' HG ' ' O ' ' A' ' 84' ' ' PHE . 93.0 mt -59.74 -39.54 85.11 Favored 'General case' 0 N--CA 1.463 0.175 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.457 175.396 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -62.82 -40.64 98.02 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.459 177.735 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 90' ' ' ALA . . . . . 0.487 ' O ' HG13 ' A' ' 94' ' ' ILE . . . -64.03 -44.86 91.24 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.284 177.082 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 91' ' ' MET . . . . . 0.618 ' HG3' ' O ' ' A' ' 87' ' ' ASP . 54.9 mtt -55.28 -50.17 70.22 Favored 'General case' 0 CA--C 1.52 -0.209 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.162 177.421 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 67.7 tp -53.08 -47.86 68.21 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.333 -0.848 . . . . 0.0 111.77 -178.369 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 77.1 ttt180 -63.29 -38.33 90.74 Favored 'General case' 0 N--CA 1.445 -0.714 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.716 -178.453 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 0.487 HG13 ' O ' ' A' ' 90' ' ' ALA . 55.4 mt -71.14 -32.79 48.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.611 179.402 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.606 HD11 ' NE1' ' B' ' 69' ' ' TRP . 23.3 mm -53.71 -49.4 57.46 Favored 'Isoleucine or valine' 0 C--O 1.234 0.265 0 CA-C-O 121.315 0.579 . . . . 0.0 109.466 173.181 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 63.8 t30 -66.63 -35.98 81.49 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.096 -0.956 . . . . 0.0 110.72 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -68.33 -26.34 65.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.185 0.517 . . . . 0.0 110.45 177.832 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 36.0 mmt180 -91.88 27.26 2.15 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.99 177.443 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 99' ' ' LYS . . . . . 0.451 ' HE2' ' HG3' ' B' ' 74' ' ' LYS . 39.1 ttmt -79.33 -37.37 37.73 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 108.954 -0.758 . . . . 0.0 108.954 173.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 24.6 tt0 65.66 18.36 11.18 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-N 114.623 -1.172 . . . . 0.0 110.738 175.224 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 101' ' ' LYS . . . . . 0.442 ' O ' ' HD2' ' A' ' 99' ' ' LYS . 20.6 ptmt -162.62 169.94 19.34 Favored 'General case' 0 C--N 1.322 -0.587 0 N-CA-C 108.267 -1.012 . . . . 0.0 108.267 -179.729 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 4.7 ttmp? -158.13 141.19 14.96 Favored 'General case' 0 C--N 1.32 -0.697 0 C-N-CA 120.489 -0.484 . . . . 0.0 111.139 -176.36 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 103' ' ' ARG . . . . . 0.427 ' NE ' ' HA ' ' A' ' 103' ' ' ARG . 5.2 mmp_? -111.39 140.38 46.02 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.99 -0.55 . . . . 0.0 109.757 175.747 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 104' ' ' ARG . . . . . 0.426 ' N ' ' HD2' ' A' ' 104' ' ' ARG . 4.4 mpt_? . . . . . 0 C--O 1.249 1.061 0 O-C-N 123.845 0.715 . . . . 0.0 111.005 -178.797 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.084 0 CA-C-O 120.925 0.393 . . . . 0.0 110.435 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 36' ' ' GLY . . . . . . . . . . . . . . . -58.22 -41.43 94.84 Favored Glycine 0 CA--C 1.505 -0.54 0 CA-C-N 116.034 -0.53 . . . . 0.0 113.434 -175.493 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 6.5 mp -68.14 -6.58 23.87 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.881 0.34 . . . . 0.0 111.822 -176.166 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 88.4 mt -114.19 -40.61 3.65 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.606 0.241 . . . . 0.0 111.182 179.189 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -97.91 -55.06 2.9 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.634 -0.257 . . . . 0.0 111.521 -177.246 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 40' ' ' GLY . . . . . 0.697 ' O ' ' HD2' ' B' ' 43' ' ' PRO . . . -73.19 -33.97 58.63 Favored Glycine 0 C--O 1.222 -0.628 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.016 -174.907 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 41' ' ' HIS . . . . . . . . . . . . . 59.6 t-80 -66.14 87.87 0.11 Allowed 'General case' 0 C--N 1.318 -0.785 0 C-N-CA 123.053 0.541 . . . . 0.0 110.777 177.67 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 42' ' ' GLY . . . . . . . . . . . . . . . 166.43 -55.0 0.24 Allowed Glycine 0 CA--C 1.522 0.52 0 C-N-CA 120.375 -0.916 . . . . 0.0 113.819 178.725 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 43' ' ' PRO . . . . . 0.697 ' HD2' ' O ' ' B' ' 40' ' ' GLY . 72.3 Cg_exo -43.92 157.4 0.15 Allowed 'Trans proline' 0 C--N 1.351 0.709 0 C-N-CA 123.473 2.782 . . . . 0.0 113.864 174.269 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 18.5 pt -52.66 -36.63 23.04 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.45 0 N-CA-C 114.032 1.123 . . . . 0.0 114.032 -168.242 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 45' ' ' ARG . . . . . 0.459 ' HG2' HG12 ' B' ' 80' ' ' ILE . 95.6 mtt180 -60.05 -43.85 95.1 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-O 121.48 0.657 . . . . 0.0 110.24 176.682 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 46' ' ' MET . . . . . 0.622 ' O ' HG13 ' B' ' 50' ' ' ILE . 1.7 mpt? -69.88 -29.62 66.88 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.145 -0.934 . . . . 0.0 110.574 179.564 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 47' ' ' VAL . . . . . 0.409 ' CG2' ' HD2' ' B' ' 68' ' ' ARG . 98.1 t -58.23 -46.85 88.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-O 120.636 0.255 . . . . 0.0 110.348 177.226 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 11.1 mp -66.21 -35.71 81.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.915 177.555 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -66.85 -46.68 74.27 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.841 0.353 . . . . 0.0 111.165 177.645 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 50' ' ' ILE . . . . . 0.622 HG13 ' O ' ' B' ' 46' ' ' MET . 66.1 mt -65.03 -33.96 67.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.074 -0.512 . . . . 0.0 109.65 177.811 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 51' ' ' LEU . . . . . 0.509 HD22 ' NE1' ' B' ' 69' ' ' TRP . 5.4 tp -59.64 -55.98 27.59 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.054 175.692 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -55.23 -39.06 69.26 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.859 179.379 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 53' ' ' PHE . . . . . 0.417 ' HB3' ' O ' ' B' ' 50' ' ' ILE . 77.2 t80 -54.77 -57.66 10.65 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.097 173.75 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 54' ' ' LEU . . . . . . . . . . . . . 94.8 mt -69.24 -11.5 60.85 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.922 -178.244 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 55' ' ' ARG . . . . . 0.504 ' HG2' ' O ' ' B' ' 51' ' ' LEU . 23.2 mmm180 -81.83 -48.29 11.76 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.992 0.425 . . . . 0.0 110.909 176.125 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 56' ' ' PHE . . . . . 0.416 ' O ' ' HG3' ' A' ' 46' ' ' MET . 77.2 m-85 -96.98 -15.34 21.15 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.055 -0.521 . . . . 0.0 112.314 -173.945 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 57' ' ' THR . . . . . . . . . . . . . 12.1 p -110.48 -3.16 16.18 Favored 'General case' 0 C--N 1.326 -0.429 0 C-N-CA 120.325 -0.55 . . . . 0.0 111.14 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -152.43 179.34 8.65 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.89 -175.686 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 59' ' ' ILE . . . . . . . . . . . . . 50.1 mm -114.48 113.8 44.79 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 CA-C-N 115.87 -0.605 . . . . 0.0 109.765 176.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 20.9 ttpt 68.05 110.06 0.03 OUTLIER Pre-proline 0 N--CA 1.464 0.265 0 O-C-N 123.864 0.727 . . . . 0.0 111.286 -179.441 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 61' ' ' PRO . . . . . . . . . . . . . 36.2 Cg_exo -60.98 147.48 95.58 Favored 'Trans proline' 0 C--O 1.234 0.294 0 C-N-CA 122.587 2.191 . . . . 0.0 111.559 174.708 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 10.5 m -61.64 141.88 57.52 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.564 -179.076 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 89.3 mt -61.36 -23.39 65.73 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-N 115.616 -0.72 . . . . 0.0 112.386 -171.792 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -62.68 -47.22 90.81 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.5 -0.857 . . . . 0.0 111.238 174.895 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -64.47 -42.24 96.03 Favored 'General case' 0 C--O 1.22 -0.482 0 N-CA-C 109.844 -0.428 . . . . 0.0 109.844 176.744 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 66' ' ' ILE . . . . . . . . . . . . . 39.4 mm -59.48 -41.75 85.65 Favored 'Isoleucine or valine' 0 C--O 1.234 0.238 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.87 179.034 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 67' ' ' ASN . . . . . . . . . . . . . 27.5 t-20 -59.71 -44.9 93.51 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.923 178.959 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 68' ' ' ARG . . . . . 0.409 ' HD2' ' CG2' ' B' ' 47' ' ' VAL . 29.7 ttm180 -77.91 -28.52 49.79 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.383 0.611 . . . . 0.0 109.622 -178.067 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 69' ' ' TRP . . . . . 0.606 ' NE1' HD11 ' A' ' 95' ' ' ILE . 31.9 t90 -60.41 -46.5 89.78 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 114.825 -1.08 . . . . 0.0 110.629 177.888 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . -71.74 -15.42 75.78 Favored Glycine 0 N--CA 1.449 -0.447 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.254 177.786 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 71' ' ' SER . . . . . . . . . . . . . 29.5 m -87.11 -15.11 39.43 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.744 0.307 . . . . 0.0 110.98 -178.646 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 72' ' ' VAL . . . . . . . . . . . . . 54.4 t -63.04 136.45 26.05 Favored 'Isoleucine or valine' 0 C--O 1.239 0.52 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.661 178.314 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 73' ' ' GLY . . . . . . . . . . . . . . . -62.72 139.96 45.57 Favored Glycine 0 N--CA 1.444 -0.788 0 N-CA-C 111.22 -0.752 . . . . 0.0 111.22 176.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 74' ' ' LYS . . . . . 0.451 ' HG3' ' HE2' ' A' ' 99' ' ' LYS . 41.5 mmtt -72.06 -31.8 66.47 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-O 120.956 0.408 . . . . 0.0 110.099 -171.763 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 75' ' ' LYS . . . . . . . . . . . . . 22.8 tptm -66.28 -47.68 72.87 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.694 -0.685 . . . . 0.0 109.471 174.117 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 76' ' ' GLU . . . . . 0.61 ' O ' HG13 ' B' ' 80' ' ' ILE . 5.1 tp10 -59.18 -48.2 82.51 Favored 'General case' 0 N--CA 1.449 -0.508 0 CA-C-N 114.855 -1.066 . . . . 0.0 109.76 179.739 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 77' ' ' ALA . . . . . . . . . . . . . . . -56.56 -41.76 77.44 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.844 -0.616 . . . . 0.0 111.456 -179.024 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 78' ' ' MET . . . . . . . . . . . . . 63.4 mtt -59.47 -43.03 93.32 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.94 0.4 . . . . 0.0 110.595 178.729 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 79' ' ' GLU . . . . . 0.522 ' O ' ' HG2' ' B' ' 83' ' ' LYS . 38.3 mt-10 -70.51 -40.84 73.28 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.831 179.18 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 80' ' ' ILE . . . . . 0.61 HG13 ' O ' ' B' ' 76' ' ' GLU . 84.3 mt -60.36 -49.72 83.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.8 179.137 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 81' ' ' ILE . . . . . . . . . . . . . 42.5 mm -60.25 -37.56 74.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.59 178.806 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 82' ' ' LYS . . . . . . . . . . . . . 57.9 tttm -62.64 -46.13 89.64 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.432 178.496 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 83' ' ' LYS . . . . . 0.522 ' HG2' ' O ' ' B' ' 79' ' ' GLU . 11.6 mmpt? -66.65 -38.39 86.78 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.418 178.581 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 84' ' ' PHE . . . . . 0.421 ' O ' ' HG ' ' B' ' 88' ' ' LEU . 2.2 t80 -62.22 -49.71 74.67 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.252 -179.014 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 85' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -61.44 -34.27 75.13 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.885 178.868 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 86' ' ' LYS . . . . . . . . . . . . . 86.9 tttt -65.34 -44.29 88.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.718 178.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 87' ' ' ASP . . . . . 0.645 ' O ' ' HG3' ' B' ' 91' ' ' MET . 17.0 t70 -69.19 -35.35 76.14 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 109.973 -0.38 . . . . 0.0 109.973 -178.406 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 88' ' ' LEU . . . . . 0.421 ' HG ' ' O ' ' B' ' 84' ' ' PHE . 93.1 mt -59.94 -39.51 85.78 Favored 'General case' 0 N--CA 1.462 0.148 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.381 175.412 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -62.98 -40.65 98.36 Favored 'General case' 0 C--O 1.235 0.33 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.396 177.801 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 90' ' ' ALA . . . . . 0.5 ' O ' HG13 ' B' ' 94' ' ' ILE . . . -63.74 -45.0 91.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.481 176.773 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 91' ' ' MET . . . . . 0.645 ' HG3' ' O ' ' B' ' 87' ' ' ASP . 54.9 mtt -55.33 -50.2 70.24 Favored 'General case' 0 CA--C 1.52 -0.185 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.192 177.373 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 92' ' ' LEU . . . . . . . . . . . . . 67.0 tp -53.17 -48.16 68.24 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-N 115.292 -0.867 . . . . 0.0 111.606 -178.181 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 93' ' ' ARG . . . . . . . . . . . . . 77.1 ttt180 -62.94 -38.18 90.01 Favored 'General case' 0 N--CA 1.444 -0.751 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.75 -178.433 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 94' ' ' ILE . . . . . 0.5 HG13 ' O ' ' B' ' 90' ' ' ALA . 56.2 mt -71.41 -32.69 47.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.56 179.567 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 95' ' ' ILE . . . . . 0.608 HD11 ' NE1' ' A' ' 69' ' ' TRP . 23.2 mm -53.66 -49.55 55.91 Favored 'Isoleucine or valine' 0 C--O 1.235 0.325 0 N-CA-C 109.442 -0.577 . . . . 0.0 109.442 173.08 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 96' ' ' ASN . . . . . . . . . . . . . 62.7 t30 -66.59 -35.98 81.51 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.081 -0.963 . . . . 0.0 110.655 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 97' ' ' ALA . . . . . . . . . . . . . . . -68.14 -26.88 66.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.258 0.552 . . . . 0.0 110.44 177.889 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 98' ' ' ARG . . . . . . . . . . . . . 36.0 mmt180 -91.29 26.95 2.05 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.601 -0.727 . . . . 0.0 111.093 177.632 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 99' ' ' LYS . . . . . 0.442 ' HA ' ' HE3' ' A' ' 74' ' ' LYS . 39.1 ttmt -79.12 -37.22 39.13 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 109.106 -0.702 . . . . 0.0 109.106 174.039 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 100' ' ' GLU . . . . . . . . . . . . . 24.4 tt0 65.59 18.12 11.13 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-N 114.512 -1.222 . . . . 0.0 110.818 175.105 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 101' ' ' LYS . . . . . 0.421 ' O ' ' HD2' ' B' ' 99' ' ' LYS . 20.5 ptmt -162.27 170.56 18.75 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 108.308 -0.997 . . . . 0.0 108.308 -179.707 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 102' ' ' LYS . . . . . . . . . . . . . 4.7 ttmp? -158.84 140.92 13.82 Favored 'General case' 0 C--N 1.322 -0.628 0 C-N-CA 120.563 -0.455 . . . . 0.0 111.105 -176.419 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 103' ' ' ARG . . . . . 0.426 ' HA ' ' NE ' ' B' ' 103' ' ' ARG . 5.2 mmp_? -111.13 140.35 45.75 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.986 -0.552 . . . . 0.0 109.807 175.74 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 104' ' ' ARG . . . . . 0.432 ' HD2' ' N ' ' B' ' 104' ' ' ARG . 4.4 mpt_? . . . . . 0 C--O 1.248 0.98 0 O-C-N 123.815 0.697 . . . . 0.0 111.129 -178.83 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 0.972 0 CA-C-O 120.973 0.416 . . . . 0.0 110.47 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -59.48 -28.6 65.15 Favored Glycine 0 N--CA 1.451 -0.322 0 CA-C-N 115.801 -0.636 . . . . 0.0 112.971 -177.241 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 57.2 tp -66.34 -29.08 69.2 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 120.791 0.329 . . . . 0.0 111.002 -179.801 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -93.52 -24.1 18.1 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.813 0.34 . . . . 0.0 111.034 -177.225 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -93.44 -13.1 28.35 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.517 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 84.14 40.03 8.87 Favored Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.871 -0.681 . . . . 0.0 111.874 -179.798 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 9.8 t60 -130.48 110.37 11.41 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 109.942 -0.392 . . . . 0.0 109.942 -177.086 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.589 ' HA3' ' SD ' ' A' ' 46' ' ' MET . . . -156.29 -177.59 29.61 Favored Glycine 0 N--CA 1.446 -0.653 0 C-N-CA 120.497 -0.859 . . . . 0.0 112.313 -179.55 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.578 ' O ' HG23 ' A' ' 47' ' ' VAL . 31.4 Cg_exo -61.94 168.62 8.6 Favored 'Trans proline' 0 CA--C 1.528 0.224 0 C-N-CA 123.4 2.733 . . . . 0.0 112.709 178.274 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 13.4 pt -57.35 -35.5 49.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 N-CA-C 112.126 0.417 . . . . 0.0 112.126 -175.963 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.41 HH11 ' HD3' ' A' ' 45' ' ' ARG . 44.4 mtp-105 -59.96 -45.63 92.04 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 121.307 0.575 . . . . 0.0 110.288 175.201 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' MET . . . . . 0.589 ' SD ' ' HA3' ' A' ' 42' ' ' GLY . 56.4 ttm -68.04 -31.09 70.51 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.42 -0.809 . . . . 0.0 110.362 -179.802 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.578 HG23 ' O ' ' A' ' 43' ' ' PRO . 59.1 t -58.59 -48.99 84.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.55 177.068 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 88.4 mt -69.52 -29.83 67.53 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.807 179.571 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -69.69 -48.93 57.92 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.21 178.879 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 30.3 pt -70.28 -24.94 26.38 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-O 121.106 0.479 . . . . 0.0 110.343 179.49 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.432 HD22 ' CD1' ' A' ' 69' ' ' TRP . 10.7 tp -66.53 -49.01 67.92 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.741 -0.663 . . . . 0.0 109.782 173.913 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -57.88 -37.75 74.52 Favored 'General case' 0 C--O 1.233 0.192 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.423 178.349 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 82.3 t80 -55.79 -63.49 1.16 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.77 -0.65 . . . . 0.0 109.881 174.313 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 95.8 mt -66.09 -5.91 11.42 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.062 0.458 . . . . 0.0 112.018 -178.198 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 28.6 tpt180 -89.95 -51.36 5.52 Favored 'General case' 0 N--CA 1.425 -1.714 0 CA-C-O 120.919 0.39 . . . . 0.0 110.441 177.955 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 92.4 m-85 -89.0 -24.18 22.44 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.936 -175.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 30.7 p -90.85 2.91 55.74 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 109.851 -0.426 . . . . 0.0 109.851 177.063 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.411 ' O ' ' HB ' ' A' ' 59' ' ' ILE . . . 72.56 -172.34 0.15 Allowed 'General case' 0 C--O 1.231 0.089 0 CA-C-N 114.773 -1.103 . . . . 0.0 111.305 -179.225 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.411 ' HB ' ' O ' ' A' ' 58' ' ' ALA . 47.8 mm 71.84 105.21 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.464 0.238 0 O-C-N 123.728 0.642 . . . . 0.0 110.141 -172.458 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 58.1 tttp -62.2 126.73 88.35 Favored Pre-proline 0 C--N 1.326 -0.429 0 CA-C-N 115.496 -0.774 . . . . 0.0 111.259 -175.082 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 45.0 Cg_exo -56.43 138.1 82.84 Favored 'Trans proline' 0 C--N 1.345 0.367 0 C-N-CA 122.919 2.412 . . . . 0.0 111.826 176.58 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 16.4 m -69.27 165.13 21.24 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.101 -179.144 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -61.07 -28.82 69.35 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.712 -0.222 . . . . 0.0 111.302 -176.101 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -60.14 -43.18 98.6 Favored Glycine 0 N--CA 1.453 -0.212 0 C-N-CA 120.576 -0.821 . . . . 0.0 111.448 176.034 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -64.15 -47.65 79.07 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 109.682 -0.488 . . . . 0.0 109.682 177.511 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 50.4 mm -62.63 -36.58 75.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 115.475 -0.784 . . . . 0.0 111.274 -177.58 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 10.1 t30 -64.68 -43.61 93.01 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.88 178.621 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 51.0 ttp180 -76.59 -30.4 56.97 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.527 0.68 . . . . 0.0 109.683 -178.49 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' TRP . . . . . 0.466 ' CD1' HD11 ' B' ' 95' ' ' ILE . 39.0 t90 -57.96 -49.56 76.38 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 114.822 -1.081 . . . . 0.0 110.638 175.104 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -74.77 1.07 55.17 Favored Glycine 0 CA--C 1.521 0.454 0 C-N-CA 120.889 -0.672 . . . . 0.0 112.853 177.812 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 58.2 m -94.35 -13.52 26.3 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.775 0.322 . . . . 0.0 110.73 178.838 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 47.8 t -68.32 136.32 26.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 0.0 109.803 176.819 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -62.71 139.74 45.41 Favored Glycine 0 N--CA 1.443 -0.856 0 C-N-CA 120.782 -0.723 . . . . 0.0 111.414 178.109 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.515 ' O ' ' HG3' ' A' ' 78' ' ' MET . 25.5 mmtp -65.13 -39.93 93.73 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 109.388 -0.597 . . . . 0.0 109.388 -175.058 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 22.6 tptm -62.71 -47.33 84.07 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.234 -0.894 . . . . 0.0 110.248 176.144 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.469 ' O ' HG13 ' A' ' 80' ' ' ILE . 9.5 tp10 -64.7 -41.33 96.09 Favored 'General case' 0 N--CA 1.45 -0.471 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.296 -178.381 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -57.15 -41.22 78.75 Favored 'General case' 0 N--CA 1.454 -0.232 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.525 178.394 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' MET . . . . . 0.515 ' HG3' ' O ' ' A' ' 74' ' ' LYS . 66.3 mtt -60.91 -43.39 98.61 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.388 178.071 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -69.66 -39.66 76.92 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.927 -0.579 . . . . 0.0 111.254 -179.432 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.469 HG13 ' O ' ' A' ' 76' ' ' GLU . 88.7 mt -65.43 -50.42 72.71 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.68 178.699 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 43.5 mm -61.75 -34.31 61.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.512 179.362 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 24.0 tptm -60.32 -49.5 77.37 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.486 177.033 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 57.3 mttp -71.55 -28.72 64.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.532 179.877 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 84' ' ' PHE . . . . . 0.523 ' O ' ' HG ' ' A' ' 88' ' ' LEU . 2.0 t80 -62.38 -53.8 49.63 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.914 -0.585 . . . . 0.0 109.436 177.47 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -62.27 -35.11 77.97 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.844 -0.617 . . . . 0.0 110.779 178.131 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 6.7 tmtm? -62.71 -49.47 74.96 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.223 -179.591 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -69.64 -32.26 70.85 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.27 -178.009 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.523 ' HG ' ' O ' ' A' ' 84' ' ' PHE . 86.8 mt -63.0 -42.17 99.78 Favored 'General case' 0 N--CA 1.463 0.188 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.63 174.744 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -60.76 -44.54 96.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.459 179.071 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 90' ' ' ALA . . . . . 0.661 ' O ' HG13 ' A' ' 94' ' ' ILE . . . -61.89 -46.42 89.47 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.39 176.487 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 60.9 tpp -59.51 -40.76 88.13 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.695 -179.829 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 58.0 tp -58.77 -43.62 90.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.789 177.877 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 80.0 mtp180 -66.14 -29.44 69.74 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.098 179.86 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 0.661 HG13 ' O ' ' A' ' 90' ' ' ALA . 12.7 mt -74.04 -34.96 40.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 C-N-CA 120.818 -0.353 . . . . 0.0 110.555 178.666 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.479 HD11 ' CD1' ' B' ' 69' ' ' TRP . 20.3 mm -55.54 -49.26 74.81 Favored 'Isoleucine or valine' 0 C--O 1.232 0.179 0 N-CA-C 109.16 -0.682 . . . . 0.0 109.16 173.08 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 96' ' ' ASN . . . . . 0.495 ' OD1' ' HB3' ' B' ' 74' ' ' LYS . 86.9 m-20 -59.42 -45.79 90.56 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.019 175.355 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -65.49 -6.5 10.78 Favored 'General case' 0 CA--C 1.53 0.204 0 CA-C-N 115.639 -0.71 . . . . 0.0 112.822 -175.262 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 98' ' ' ARG . . . . . 0.47 ' HD2' ' CZ3' ' B' ' 69' ' ' TRP . 5.6 mmp_? -64.36 -20.43 66.12 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 121.311 0.576 . . . . 0.0 109.712 172.397 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 30.2 mmmt -138.24 -58.93 0.64 Allowed 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.321 -0.854 . . . . 0.0 109.834 179.413 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 100' ' ' GLU . . . . . 0.402 ' HG3' ' HB3' ' A' ' 103' ' ' ARG . 7.4 tp10 58.08 55.44 5.21 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.154 -0.93 . . . . 0.0 110.237 -176.182 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 62.5 pttt -75.71 -12.82 60.27 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.356 177.734 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 37.1 mmtm -92.2 22.86 4.14 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.0 177.527 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 103' ' ' ARG . . . . . 0.402 ' HB3' ' HG3' ' A' ' 100' ' ' GLU . 39.2 ptt180 -69.17 -26.67 64.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.081 0.467 . . . . 0.0 110.186 175.66 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 8.0 tpm_? . . . . . 0 C--O 1.247 0.954 0 CA-C-O 118.55 -0.738 . . . . 0.0 109.755 178.152 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.0 0 CA-C-O 121.009 0.433 . . . . 0.0 110.54 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 36' ' ' GLY . . . . . . . . . . . . . . . -59.38 -28.68 65.0 Favored Glycine 0 N--CA 1.452 -0.258 0 CA-C-N 115.754 -0.657 . . . . 0.0 112.914 -177.167 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 57.1 tp -65.98 -29.53 69.93 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 120.955 0.407 . . . . 0.0 110.997 -179.789 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -92.94 -24.68 18.32 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.919 -176.963 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -92.83 -13.93 28.45 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.827 0.346 . . . . 0.0 111.451 -179.777 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . 84.79 39.87 8.5 Favored Glycine 0 N--CA 1.45 -0.43 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.031 -179.437 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 41' ' ' HIS . . . . . . . . . . . . . 10.0 t60 -130.45 109.94 11.09 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 110.071 -0.344 . . . . 0.0 110.071 -176.95 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 42' ' ' GLY . . . . . 0.585 ' HA3' ' SD ' ' B' ' 46' ' ' MET . . . -155.58 -177.49 28.87 Favored Glycine 0 N--CA 1.446 -0.645 0 C-N-CA 120.475 -0.869 . . . . 0.0 112.329 -179.489 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 43' ' ' PRO . . . . . 0.576 ' O ' HG23 ' B' ' 47' ' ' VAL . 31.3 Cg_exo -62.24 168.85 8.71 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 123.386 2.724 . . . . 0.0 112.741 178.059 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 13.2 pt -57.48 -35.47 49.89 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.412 0 N-CA-C 112.12 0.415 . . . . 0.0 112.12 -175.756 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 45' ' ' ARG . . . . . 0.401 HH11 ' HD3' ' B' ' 45' ' ' ARG . 44.9 mtp180 -60.06 -45.53 92.57 Favored 'General case' 0 N--CA 1.462 0.157 0 CA-C-O 121.235 0.54 . . . . 0.0 110.288 175.301 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 46' ' ' MET . . . . . 0.585 ' SD ' ' HA3' ' B' ' 42' ' ' GLY . 55.9 ttm -68.02 -31.15 70.63 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.496 -0.775 . . . . 0.0 110.411 -179.903 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 47' ' ' VAL . . . . . 0.576 HG23 ' O ' ' B' ' 43' ' ' PRO . 58.0 t -58.42 -49.15 83.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.568 176.96 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 87.9 mt -69.42 -30.0 67.85 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.724 179.665 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -69.57 -48.95 58.53 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.235 178.875 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 50' ' ' ILE . . . . . . . . . . . . . 30.3 pt -70.3 -24.8 26.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.902 0.382 . . . . 0.0 110.293 179.464 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 51' ' ' LEU . . . . . 0.44 HD22 ' CD1' ' B' ' 69' ' ' TRP . 10.6 tp -66.65 -49.04 67.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.874 -0.603 . . . . 0.0 109.711 173.941 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -57.83 -37.67 74.24 Favored 'General case' 0 C--O 1.233 0.213 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.427 178.34 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 53' ' ' PHE . . . . . . . . . . . . . 82.4 t80 -55.94 -63.31 1.22 Allowed 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.797 -0.638 . . . . 0.0 109.909 174.327 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 54' ' ' LEU . . . . . . . . . . . . . 95.8 mt -66.17 -5.84 11.47 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-O 121.039 0.447 . . . . 0.0 112.1 -178.272 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 55' ' ' ARG . . . . . . . . . . . . . 28.6 tpt180 -89.91 -51.46 5.47 Favored 'General case' 0 N--CA 1.425 -1.711 0 CA-C-O 120.949 0.404 . . . . 0.0 110.481 177.931 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 56' ' ' PHE . . . . . 0.42 ' CZ ' ' HA ' ' A' ' 84' ' ' PHE . 92.3 m-85 -88.95 -24.1 22.51 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.112 -0.494 . . . . 0.0 112.059 -175.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 57' ' ' THR . . . . . . . . . . . . . 31.0 p -90.81 2.56 55.98 Favored 'General case' 0 C--O 1.236 0.366 0 CA-C-O 121.053 0.454 . . . . 0.0 109.913 176.924 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 58' ' ' ALA . . . . . 0.422 ' O ' ' HB ' ' B' ' 59' ' ' ILE . . . 72.73 -172.46 0.14 Allowed 'General case' 0 N--CA 1.462 0.127 0 CA-C-N 114.737 -1.12 . . . . 0.0 111.173 -179.154 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 59' ' ' ILE . . . . . 0.422 ' HB ' ' O ' ' B' ' 58' ' ' ALA . 47.5 mm 72.03 105.39 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.462 0.173 0 O-C-N 123.723 0.64 . . . . 0.0 110.169 -172.459 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 58.4 tttp -62.38 126.91 89.02 Favored Pre-proline 0 C--N 1.327 -0.405 0 CA-C-N 115.438 -0.801 . . . . 0.0 111.094 -174.916 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 61' ' ' PRO . . . . . . . . . . . . . 45.1 Cg_exo -56.44 138.49 84.31 Favored 'Trans proline' 0 C--N 1.345 0.392 0 C-N-CA 122.892 2.395 . . . . 0.0 111.878 176.362 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 16.0 m -69.65 164.9 22.36 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.056 -179.111 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 63' ' ' LEU . . . . . 0.403 HD13 ' HA ' ' B' ' 63' ' ' LEU . 4.2 mm? -60.68 -29.11 69.1 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.702 -0.226 . . . . 0.0 111.241 -176.348 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -60.34 -42.64 98.93 Favored Glycine 0 C--O 1.237 0.289 0 C-N-CA 120.542 -0.837 . . . . 0.0 111.558 176.372 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -64.43 -47.7 78.12 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 109.737 -0.468 . . . . 0.0 109.737 177.187 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 66' ' ' ILE . . . . . . . . . . . . . 50.3 mm -62.71 -36.56 75.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 115.462 -0.79 . . . . 0.0 111.334 -177.567 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 67' ' ' ASN . . . . . . . . . . . . . 10.2 t30 -64.63 -43.52 93.43 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.797 178.436 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 68' ' ' ARG . . . . . . . . . . . . . 51.0 ttp180 -76.55 -30.5 57.11 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.508 0.67 . . . . 0.0 109.767 -178.53 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 69' ' ' TRP . . . . . 0.479 ' CD1' HD11 ' A' ' 95' ' ' ILE . 39.3 t90 -57.86 -49.36 76.95 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 114.772 -1.104 . . . . 0.0 110.738 175.112 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . -75.13 1.56 55.28 Favored Glycine 0 CA--C 1.521 0.439 0 C-N-CA 120.943 -0.646 . . . . 0.0 112.829 177.684 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 71' ' ' SER . . . . . . . . . . . . . 55.8 m -94.61 -13.74 25.63 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 122.62 -0.341 . . . . 0.0 110.657 178.724 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 72' ' ' VAL . . . . . . . . . . . . . 47.3 t -68.06 136.43 26.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.227 -0.442 . . . . 0.0 109.851 176.835 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 73' ' ' GLY . . . . . . . . . . . . . . . -62.98 139.84 45.1 Favored Glycine 0 N--CA 1.446 -0.69 0 C-N-CA 120.691 -0.766 . . . . 0.0 111.32 178.087 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 74' ' ' LYS . . . . . 0.535 ' O ' ' HG3' ' B' ' 78' ' ' MET . 25.4 mmtp -65.28 -39.6 92.8 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 109.418 -0.586 . . . . 0.0 109.418 -175.0 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 75' ' ' LYS . . . . . . . . . . . . . 22.6 tptm -62.77 -47.07 85.13 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.251 -0.886 . . . . 0.0 110.239 176.022 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 76' ' ' GLU . . . . . 0.487 ' O ' HG13 ' B' ' 80' ' ' ILE . 9.9 tp10 -65.23 -41.32 94.51 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.163 -178.238 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 77' ' ' ALA . . . . . . . . . . . . . . . -57.08 -41.2 78.41 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.483 -0.326 . . . . 0.0 110.465 178.374 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 78' ' ' MET . . . . . 0.535 ' HG3' ' O ' ' B' ' 74' ' ' LYS . 66.3 mtt -60.84 -43.21 98.6 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.553 178.003 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 79' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -69.92 -39.52 76.09 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.892 -0.595 . . . . 0.0 111.256 -179.525 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 80' ' ' ILE . . . . . 0.487 HG13 ' O ' ' B' ' 76' ' ' GLU . 88.8 mt -65.44 -50.32 73.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.694 178.811 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 81' ' ' ILE . . . . . . . . . . . . . 44.3 mm -61.71 -34.32 61.65 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.609 179.212 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 82' ' ' LYS . . . . . . . . . . . . . 24.0 tptm -60.37 -49.46 77.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.381 177.13 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 83' ' ' LYS . . . . . . . . . . . . . 57.5 mttp -71.76 -28.51 63.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.506 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 84' ' ' PHE . . . . . 0.54 ' O ' ' HG ' ' B' ' 88' ' ' LEU . 2.0 t80 -62.55 -53.9 47.75 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.874 -0.603 . . . . 0.0 109.449 177.444 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 85' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -62.01 -35.09 77.53 Favored 'General case' 0 C--O 1.233 0.19 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.754 178.039 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 86' ' ' LYS . . . . . . . . . . . . . 6.7 tmtm? -62.77 -49.54 74.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.268 -179.5 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 87' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -69.38 -32.54 71.64 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.18 -178.112 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 88' ' ' LEU . . . . . 0.54 ' HG ' ' O ' ' B' ' 84' ' ' PHE . 87.1 mt -62.89 -42.16 99.67 Favored 'General case' 0 N--CA 1.463 0.194 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.631 174.949 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -60.7 -44.6 96.36 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.412 179.118 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 90' ' ' ALA . . . . . 0.656 ' O ' HG13 ' B' ' 94' ' ' ILE . . . -61.93 -46.13 90.69 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.387 176.623 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 91' ' ' MET . . . . . . . . . . . . . 61.0 tpp -59.88 -40.82 89.99 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.622 -179.767 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 92' ' ' LEU . . . . . . . . . . . . . 58.1 tp -58.71 -43.61 90.14 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.769 -0.651 . . . . 0.0 110.794 177.798 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 93' ' ' ARG . . . . . . . . . . . . . 80.0 mtp180 -65.88 -29.92 70.44 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.007 179.792 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 94' ' ' ILE . . . . . 0.656 HG13 ' O ' ' B' ' 90' ' ' ALA . 12.9 mt -73.63 -34.85 42.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 C-N-CA 120.791 -0.364 . . . . 0.0 110.582 179.056 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 95' ' ' ILE . . . . . 0.466 HD11 ' CD1' ' A' ' 69' ' ' TRP . 20.3 mm -55.86 -49.07 77.16 Favored 'Isoleucine or valine' 0 C--O 1.232 0.171 0 N-CA-C 109.178 -0.675 . . . . 0.0 109.178 173.151 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 96' ' ' ASN . . . . . 0.507 ' OD1' ' HB3' ' A' ' 74' ' ' LYS . 86.8 m-20 -59.47 -45.78 90.66 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.034 175.272 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 97' ' ' ALA . . . . . . . . . . . . . . . -65.69 -6.22 10.83 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.57 -0.741 . . . . 0.0 112.758 -175.321 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 98' ' ' ARG . . . . . 0.461 ' HD2' ' CZ3' ' A' ' 69' ' ' TRP . 5.6 mmp_? -64.37 -20.42 66.11 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 121.24 0.543 . . . . 0.0 109.736 172.301 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 99' ' ' LYS . . . . . . . . . . . . . 30.2 mmmt -138.6 -58.39 0.63 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.352 -0.84 . . . . 0.0 109.911 179.701 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 100' ' ' GLU . . . . . . . . . . . . . 7.0 tp10 57.47 55.6 5.6 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.12 -0.945 . . . . 0.0 110.224 -176.231 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 101' ' ' LYS . . . . . . . . . . . . . 62.5 pttt -75.47 -12.75 60.3 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.522 -0.763 . . . . 0.0 110.395 177.535 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 102' ' ' LYS . . . . . . . . . . . . . 36.7 mmtm -92.36 21.8 5.01 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.033 178.142 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 103' ' ' ARG . . . . . . . . . . . . . 39.2 ptt180 -68.18 -26.9 65.98 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.174 176.069 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 104' ' ' ARG . . . . . . . . . . . . . 8.0 tpm_? . . . . . 0 C--O 1.247 0.956 0 CA-C-O 118.668 -0.682 . . . . 0.0 109.856 178.237 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 0.988 0 CA-C-O 120.807 0.337 . . . . 0.0 110.597 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -60.12 -27.22 64.66 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 121.178 -0.534 . . . . 0.0 112.527 -179.23 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 59.1 tp -62.91 -32.78 74.13 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.088 0.47 . . . . 0.0 111.146 178.261 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 91.0 mt -95.76 -29.38 14.29 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.889 0.376 . . . . 0.0 111.316 -176.069 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -91.89 -27.27 18.03 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.701 -176.815 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 98.38 -3.47 59.69 Favored Glycine 0 N--CA 1.449 -0.471 0 N-CA-C 111.168 -0.773 . . . . 0.0 111.168 -174.913 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 35.2 t60 -84.43 67.02 9.73 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.197 0.522 . . . . 0.0 109.936 179.653 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -96.28 156.51 21.25 Favored Glycine 0 N--CA 1.445 -0.731 0 C-N-CA 120.537 -0.84 . . . . 0.0 111.607 177.738 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.562 ' HD2' ' SD ' ' A' ' 46' ' ' MET . 50.1 Cg_endo -68.58 176.69 5.52 Favored 'Trans proline' 0 N--CA 1.464 -0.215 0 C-N-CA 122.592 2.195 . . . . 0.0 111.746 176.638 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.415 ' HB ' HG22 ' A' ' 72' ' ' VAL . 19.3 pt -47.71 -44.67 10.61 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.528 0 N-CA-C 113.772 1.027 . . . . 0.0 113.772 -171.461 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.46 ' HA ' HD13 ' A' ' 80' ' ' ILE . 99.8 mtt180 -67.23 -41.99 84.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.048 0.452 . . . . 0.0 110.804 -178.722 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' MET . . . . . 0.576 ' O ' HG13 ' A' ' 50' ' ' ILE . 56.3 mtt -68.02 -27.33 66.45 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.788 176.59 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.524 HG23 ' O ' ' A' ' 43' ' ' PRO . 90.3 t -59.38 -49.73 82.45 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.177 0 N-CA-C 110.148 -0.316 . . . . 0.0 110.148 175.859 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 11.2 mp -64.04 -32.5 74.07 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.035 177.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -67.79 -48.97 64.82 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.133 176.932 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.576 HG13 ' O ' ' A' ' 46' ' ' MET . 57.0 mt -65.9 -31.53 54.11 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-O 121.309 0.576 . . . . 0.0 109.83 177.792 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 15.8 tp -59.25 -53.8 54.17 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.474 -0.784 . . . . 0.0 110.255 175.019 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.55 -38.05 80.06 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-O 121.008 0.432 . . . . 0.0 110.577 178.733 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.411 ' HB3' ' O ' ' A' ' 50' ' ' ILE . 87.2 t80 -55.39 -60.7 3.04 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.53 -0.759 . . . . 0.0 109.412 174.58 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.524 HD13 ' H ' ' A' ' 62' ' ' SER . 64.4 mt -72.41 -0.43 12.48 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.777 -178.579 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 20.6 tpt180 -90.33 -35.28 15.33 Favored 'General case' 0 N--CA 1.427 -1.581 0 CA-C-O 121.044 0.45 . . . . 0.0 110.118 177.154 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 57.9 m-85 -110.79 -22.9 11.33 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 112.439 0.533 . . . . 0.0 112.439 -176.572 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' THR . . . . . 0.514 ' HA ' ' HG2' ' B' ' 46' ' ' MET . 35.0 p -96.27 -5.88 39.21 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.376 0.608 . . . . 0.0 110.707 -179.817 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -140.97 167.75 21.43 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.514 -0.766 . . . . 0.0 110.442 -174.738 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.453 ' N ' HD12 ' A' ' 59' ' ' ILE . 4.2 mp -90.67 -25.38 5.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-O 121.932 0.873 . . . . 0.0 110.201 -176.48 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -148.26 124.06 5.24 Favored Pre-proline 0 C--N 1.306 -1.317 0 CA-C-N 114.509 -1.223 . . . . 0.0 110.55 -179.719 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' PRO . . . . . 0.425 ' HB2' HD11 ' A' ' 66' ' ' ILE . 30.2 Cg_exo -62.22 139.66 79.05 Favored 'Trans proline' 0 C--O 1.233 0.249 0 C-N-CA 122.674 2.249 . . . . 0.0 111.921 175.623 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.524 ' H ' HD13 ' A' ' 54' ' ' LEU . 46.7 t -61.79 137.68 58.27 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.966 -179.102 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 95.1 mt -65.62 -20.73 66.42 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.456 -0.793 . . . . 0.0 111.596 -175.51 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -63.09 -45.33 95.7 Favored Glycine 0 N--CA 1.449 -0.462 0 C-N-CA 120.422 -0.894 . . . . 0.0 111.116 174.432 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.537 ' O ' ' HB2' ' A' ' 69' ' ' TRP . 4.0 mm? -70.75 -30.03 66.44 Favored 'General case' 0 C--O 1.22 -0.465 0 N-CA-C 110.129 -0.322 . . . . 0.0 110.129 177.297 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.425 HD11 ' HB2' ' A' ' 61' ' ' PRO . 47.3 mm -70.19 -30.95 45.59 Favored 'Isoleucine or valine' 0 C--O 1.235 0.342 0 CA-C-O 121.249 0.547 . . . . 0.0 110.542 177.561 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 44.5 t30 -70.76 -43.06 69.58 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.4 177.456 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 39.2 ttm180 -86.44 -7.08 58.71 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.697 0.761 . . . . 0.0 109.917 -178.328 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' TRP . . . . . 0.581 ' NE1' HD11 ' B' ' 95' ' ' ILE . 7.2 t90 -59.8 -44.56 93.92 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 114.601 -1.182 . . . . 0.0 110.048 177.279 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -80.7 -10.83 84.69 Favored Glycine 0 N--CA 1.449 -0.492 0 CA-C-N 115.575 -0.738 . . . . 0.0 112.315 178.419 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 47.7 t -69.49 -16.96 63.56 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.101 0.477 . . . . 0.0 109.995 178.928 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.416 ' C ' ' H ' ' A' ' 74' ' ' LYS . 12.1 t -74.54 135.23 27.84 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.538 0 N-CA-C 108.923 -0.769 . . . . 0.0 108.923 174.231 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 73' ' ' GLY . . . . . 0.581 ' O ' ' HG2' ' A' ' 74' ' ' LYS . . . -72.43 19.27 1.13 Allowed Glycine 0 CA--C 1.524 0.598 0 C-N-CA 121.321 -0.466 . . . . 0.0 114.234 -173.493 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.581 ' HG2' ' O ' ' A' ' 73' ' ' GLY . 9.4 ptpp? 61.29 -44.28 0.13 Allowed 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 125.734 1.614 . . . . 0.0 113.81 178.548 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 21.3 tptm -67.75 -42.89 81.07 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 118.669 0.668 . . . . 0.0 109.483 175.537 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.582 ' O ' HG13 ' A' ' 80' ' ' ILE . 20.5 tp10 -59.1 -40.08 84.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.711 -0.677 . . . . 0.0 109.522 174.234 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.532 ' O ' HG12 ' A' ' 81' ' ' ILE . . . -60.85 -39.98 91.16 Favored 'General case' 0 N--CA 1.454 -0.241 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.636 179.762 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 78' ' ' MET . . . . . 0.515 ' HG3' ' O ' ' A' ' 74' ' ' LYS . 90.6 mtp -59.62 -42.24 92.22 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-O 121.023 0.439 . . . . 0.0 110.096 177.932 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 24.7 mt-10 -67.72 -43.15 80.69 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.749 177.843 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.582 HG13 ' O ' ' A' ' 76' ' ' GLU . 78.2 mt -59.42 -46.52 92.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.682 178.257 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.532 HG12 ' O ' ' A' ' 77' ' ' ALA . 41.3 mm -62.29 -40.14 86.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.107 -179.87 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 8.2 ttpm? -64.05 -41.77 97.26 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-O 121.051 0.453 . . . . 0.0 110.102 177.672 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 27.3 mtpp -62.11 -46.8 87.43 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.515 175.25 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 84' ' ' PHE . . . . . 0.493 ' O ' ' HG ' ' A' ' 88' ' ' LEU . 0.8 OUTLIER -56.55 -51.46 68.49 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.216 -0.902 . . . . 0.0 110.8 -178.611 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -61.59 -36.65 81.3 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.244 -179.109 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 86' ' ' LYS . . . . . 0.423 ' NZ ' ' HB3' ' A' ' 86' ' ' LYS . 5.1 ttpm? -63.31 -48.38 78.3 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.338 179.025 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -64.26 -37.82 88.84 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.568 -179.805 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.493 ' HG ' ' O ' ' A' ' 84' ' ' PHE . 91.1 mt -60.46 -45.58 93.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.394 176.356 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -62.12 -43.91 97.8 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.864 179.199 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 90' ' ' ALA . . . . . 0.5 ' O ' HG13 ' A' ' 94' ' ' ILE . . . -63.76 -47.23 81.82 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.176 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 72.7 mtm -66.59 -33.79 76.46 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.011 -178.451 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.464 ' HB2' HG13 ' B' ' 81' ' ' ILE . 55.4 tp -60.73 -45.73 93.14 Favored 'General case' 0 C--O 1.238 0.479 0 CA-C-O 121.505 0.669 . . . . 0.0 110.411 174.882 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 98.2 mtt180 -61.4 -32.22 72.15 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.358 -0.837 . . . . 0.0 110.61 179.101 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 0.5 HG13 ' O ' ' A' ' 90' ' ' ALA . 64.5 mt -68.73 -36.24 73.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.516 -0.311 . . . . 0.0 110.966 177.463 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.598 HD11 ' NE1' ' B' ' 69' ' ' TRP . 19.1 mm -56.37 -48.54 79.7 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.266 0 CA-C-O 121.62 0.724 . . . . 0.0 109.654 175.617 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 9.8 t30 -76.29 -21.31 56.42 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.307 -0.861 . . . . 0.0 111.132 -178.698 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -70.92 -41.85 70.67 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 120.938 0.399 . . . . 0.0 111.015 179.193 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 98' ' ' ARG . . . . . 0.412 ' C ' ' H ' ' A' ' 100' ' ' GLU . 13.6 ptm180 -76.1 -34.83 59.51 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.575 -173.024 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 36.7 mtmm 63.57 -2.95 0.45 Allowed 'General case' 0 N--CA 1.47 0.565 0 CA-C-N 115.858 -0.61 . . . . 0.0 112.293 174.574 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 100' ' ' GLU . . . . . 0.412 ' H ' ' C ' ' A' ' 98' ' ' ARG . 5.7 mm-40 55.9 38.02 29.53 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.66 -0.7 . . . . 0.0 111.895 -176.052 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 4.2 mptp? 56.53 54.2 7.72 Favored 'General case' 0 C--O 1.236 0.393 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.535 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 102' ' ' LYS . . . . . 0.405 ' HD2' ' HA ' ' A' ' 102' ' ' LYS . 21.6 tptm -78.87 57.69 2.19 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.796 0.808 . . . . 0.0 109.873 -178.757 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 19.8 ptt180 -123.17 8.2 9.17 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.064 -0.971 . . . . 0.0 109.348 178.75 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 93.9 mtt180 . . . . . 0 C--O 1.249 1.07 0 CA-C-N 114.842 -1.072 . . . . 0.0 110.854 -179.332 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 0.903 0 CA-C-O 120.806 0.336 . . . . 0.0 110.538 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 36' ' ' GLY . . . . . . . . . . . . . . . -59.95 -27.46 64.63 Favored Glycine 0 C--O 1.226 -0.372 0 C-N-CA 121.304 -0.474 . . . . 0.0 112.608 -179.476 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 59.1 tp -62.84 -32.37 73.58 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 120.932 0.396 . . . . 0.0 111.241 178.096 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 91.5 mt -96.01 -29.55 14.07 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.534 -0.303 . . . . 0.0 111.313 -176.222 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -91.58 -27.35 18.23 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.774 -176.757 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . 98.53 -3.76 59.57 Favored Glycine 0 N--CA 1.45 -0.385 0 N-CA-C 111.234 -0.746 . . . . 0.0 111.234 -174.756 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 41' ' ' HIS . . . . . . . . . . . . . 35.1 t60 -84.5 67.3 9.88 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.198 0.523 . . . . 0.0 109.877 179.714 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 42' ' ' GLY . . . . . . . . . . . . . . . -96.7 155.83 20.92 Favored Glycine 0 N--CA 1.445 -0.763 0 C-N-CA 120.69 -0.767 . . . . 0.0 111.612 177.642 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 43' ' ' PRO . . . . . 0.559 ' HD2' ' SD ' ' B' ' 46' ' ' MET . 48.5 Cg_endo -68.12 176.77 5.06 Favored 'Trans proline' 0 CA--C 1.529 0.258 0 C-N-CA 122.584 2.189 . . . . 0.0 111.663 177.131 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 44' ' ' ILE . . . . . 0.42 ' HB ' HG22 ' B' ' 72' ' ' VAL . 19.6 pt -47.68 -44.67 10.48 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.51 0 N-CA-C 113.908 1.077 . . . . 0.0 113.908 -171.559 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 45' ' ' ARG . . . . . 0.46 ' HA ' HD13 ' B' ' 80' ' ' ILE . 99.8 mtt180 -67.21 -42.1 84.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.083 0.468 . . . . 0.0 110.854 -178.825 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 46' ' ' MET . . . . . 0.572 ' O ' HG13 ' B' ' 50' ' ' ILE . 56.6 mtt -67.92 -27.21 66.43 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.847 176.484 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 47' ' ' VAL . . . . . 0.522 HG23 ' O ' ' B' ' 43' ' ' PRO . 89.5 t -59.57 -49.59 83.12 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.191 0 N-CA-C 110.189 -0.3 . . . . 0.0 110.189 175.83 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 11.2 mp -64.16 -32.35 73.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.085 177.908 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -67.87 -49.04 64.32 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.8 0.333 . . . . 0.0 111.124 176.854 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 50' ' ' ILE . . . . . 0.572 HG13 ' O ' ' B' ' 46' ' ' MET . 57.1 mt -65.88 -31.45 53.79 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-O 121.254 0.549 . . . . 0.0 109.815 177.778 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 15.8 tp -59.26 -53.68 55.46 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.481 -0.781 . . . . 0.0 110.286 174.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.69 -38.02 80.4 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-O 121.046 0.451 . . . . 0.0 110.591 178.705 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 53' ' ' PHE . . . . . 0.409 ' HB3' ' O ' ' B' ' 50' ' ' ILE . 86.5 t80 -55.34 -60.85 2.84 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.521 -0.763 . . . . 0.0 109.43 174.514 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 54' ' ' LEU . . . . . 0.519 HD13 ' H ' ' B' ' 62' ' ' SER . 64.5 mt -72.37 -0.33 12.12 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.823 -178.613 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 55' ' ' ARG . . . . . . . . . . . . . 20.7 tpt180 -90.33 -35.55 15.17 Favored 'General case' 0 N--CA 1.426 -1.632 0 CA-C-O 121.121 0.486 . . . . 0.0 110.085 177.013 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 56' ' ' PHE . . . . . . . . . . . . . 57.9 m-85 -110.38 -23.11 11.36 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 112.402 0.519 . . . . 0.0 112.402 -176.554 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 57' ' ' THR . . . . . 0.522 ' HA ' ' HG2' ' A' ' 46' ' ' MET . 34.6 p -96.19 -5.84 39.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.35 0.595 . . . . 0.0 110.679 -179.746 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -141.02 167.35 22.41 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.617 -0.72 . . . . 0.0 110.43 -174.727 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 59' ' ' ILE . . . . . 0.449 HD12 ' N ' ' B' ' 59' ' ' ILE . 4.2 mp -90.39 -25.47 5.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-O 121.781 0.801 . . . . 0.0 110.153 -176.465 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -148.26 124.05 5.23 Favored Pre-proline 0 C--N 1.306 -1.3 0 CA-C-N 114.63 -1.168 . . . . 0.0 110.54 -179.765 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 61' ' ' PRO . . . . . 0.427 ' HB2' HD11 ' B' ' 66' ' ' ILE . 29.7 Cg_exo -62.53 139.38 75.82 Favored 'Trans proline' 0 C--O 1.236 0.395 0 C-N-CA 122.685 2.257 . . . . 0.0 111.799 175.749 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 62' ' ' SER . . . . . 0.519 ' H ' HD13 ' B' ' 54' ' ' LEU . 48.2 t -61.48 138.06 58.26 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.662 -0.699 . . . . 0.0 111.024 -179.024 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 95.7 mt -66.26 -20.13 66.02 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 115.526 -0.761 . . . . 0.0 111.505 -175.232 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -63.6 -45.22 95.14 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.414 -0.898 . . . . 0.0 111.119 174.311 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 65' ' ' LEU . . . . . 0.53 ' O ' ' HB2' ' B' ' 69' ' ' TRP . 4.0 mm? -70.64 -30.15 66.7 Favored 'General case' 0 C--O 1.22 -0.45 0 N-CA-C 110.149 -0.315 . . . . 0.0 110.149 177.166 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 66' ' ' ILE . . . . . 0.427 HD11 ' HB2' ' B' ' 61' ' ' PRO . 47.3 mm -69.82 -31.24 47.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 121.309 0.576 . . . . 0.0 110.57 177.559 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 67' ' ' ASN . . . . . . . . . . . . . 43.4 t30 -70.5 -43.42 69.72 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.281 177.738 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 68' ' ' ARG . . . . . . . . . . . . . 39.3 ttm180 -86.21 -7.1 58.79 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.651 0.739 . . . . 0.0 109.961 -178.233 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 69' ' ' TRP . . . . . 0.598 ' NE1' HD11 ' A' ' 95' ' ' ILE . 7.2 t90 -59.79 -44.62 93.86 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 114.657 -1.156 . . . . 0.0 110.065 177.233 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . -80.62 -10.85 84.72 Favored Glycine 0 N--CA 1.448 -0.501 0 CA-C-N 115.613 -0.721 . . . . 0.0 112.258 178.419 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 71' ' ' SER . . . . . . . . . . . . . 48.0 t -69.53 -17.18 63.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.113 0.482 . . . . 0.0 109.868 179.0 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 72' ' ' VAL . . . . . 0.42 HG22 ' HB ' ' B' ' 44' ' ' ILE . 12.1 t -74.23 135.62 27.05 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.593 0 N-CA-C 108.926 -0.768 . . . . 0.0 108.926 174.27 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 73' ' ' GLY . . . . . 0.573 ' O ' ' HG2' ' B' ' 74' ' ' LYS . . . -72.86 19.49 1.21 Allowed Glycine 0 CA--C 1.523 0.55 0 CA-C-O 119.643 -0.532 . . . . 0.0 114.135 -173.411 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 74' ' ' LYS . . . . . 0.573 ' HG2' ' O ' ' B' ' 73' ' ' GLY . 9.4 ptpp? 61.24 -44.46 0.13 Allowed 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 125.74 1.616 . . . . 0.0 113.8 178.46 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 75' ' ' LYS . . . . . . . . . . . . . 21.4 tptm -67.7 -42.85 81.38 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 118.612 0.642 . . . . 0.0 109.51 175.56 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 76' ' ' GLU . . . . . 0.566 ' O ' HG13 ' B' ' 80' ' ' ILE . 20.9 tp10 -59.18 -40.06 84.48 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.629 -0.714 . . . . 0.0 109.609 174.211 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 77' ' ' ALA . . . . . 0.533 ' O ' HG12 ' B' ' 81' ' ' ILE . . . -60.76 -40.03 90.99 Favored 'General case' 0 N--CA 1.454 -0.226 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.668 179.693 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 78' ' ' MET . . . . . 0.519 ' HG3' ' O ' ' B' ' 74' ' ' LYS . 90.4 mtp -59.57 -42.18 91.87 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-O 121.102 0.477 . . . . 0.0 110.08 178.065 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 79' ' ' GLU . . . . . . . . . . . . . 23.9 mt-10 -67.55 -43.76 79.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.639 -0.71 . . . . 0.0 110.744 177.839 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 80' ' ' ILE . . . . . 0.566 HG13 ' O ' ' B' ' 76' ' ' GLU . 78.6 mt -59.08 -46.55 91.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.679 178.286 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 81' ' ' ILE . . . . . 0.533 HG12 ' O ' ' B' ' 77' ' ' ALA . 41.6 mm -62.19 -40.09 86.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.113 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 82' ' ' LYS . . . . . . . . . . . . . 8.2 ttpm? -64.13 -41.87 97.04 Favored 'General case' 0 C--O 1.235 0.333 0 CA-C-O 120.981 0.42 . . . . 0.0 110.021 177.918 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 83' ' ' LYS . . . . . . . . . . . . . 27.3 mtpp -61.98 -46.93 87.09 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.556 175.187 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 84' ' ' PHE . . . . . 0.498 ' O ' ' HG ' ' B' ' 88' ' ' LEU . 0.8 OUTLIER -56.5 -51.41 68.62 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.252 -0.886 . . . . 0.0 110.807 -178.663 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 85' ' ' LYS . . . . . 0.406 ' HE3' ' CG2' ' B' ' 81' ' ' ILE . 98.9 mttt -61.61 -36.72 81.54 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.223 -179.117 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 86' ' ' LYS . . . . . 0.43 ' NZ ' ' HB3' ' B' ' 86' ' ' LYS . 5.1 ttpm? -63.2 -48.63 77.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.051 0.453 . . . . 0.0 110.385 178.872 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 87' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -63.99 -38.0 89.46 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.705 -0.68 . . . . 0.0 110.577 -179.871 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 88' ' ' LEU . . . . . 0.498 ' HG ' ' O ' ' B' ' 84' ' ' PHE . 91.2 mt -60.47 -45.35 94.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.487 176.389 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 89' ' ' ALA . . . . . 0.4 ' O ' ' HG3' ' B' ' 93' ' ' ARG . . . -62.13 -44.09 97.39 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.868 179.212 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 90' ' ' ALA . . . . . 0.497 ' O ' HG13 ' B' ' 94' ' ' ILE . . . -63.87 -47.17 81.72 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.15 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 91' ' ' MET . . . . . . . . . . . . . 72.8 mtm -66.41 -33.88 76.7 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.12 -178.627 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 92' ' ' LEU . . . . . 0.469 ' HB2' HG13 ' A' ' 81' ' ' ILE . 55.6 tp -60.67 -45.76 92.92 Favored 'General case' 0 C--O 1.238 0.474 0 CA-C-O 121.464 0.65 . . . . 0.0 110.444 174.807 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 93' ' ' ARG . . . . . 0.4 ' HG3' ' O ' ' B' ' 89' ' ' ALA . 98.1 mtt180 -61.34 -32.28 72.17 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.398 -0.819 . . . . 0.0 110.503 179.147 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 94' ' ' ILE . . . . . 0.497 HG13 ' O ' ' B' ' 90' ' ' ALA . 64.2 mt -68.71 -36.33 73.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.595 -0.275 . . . . 0.0 110.921 177.515 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 95' ' ' ILE . . . . . 0.581 HD11 ' NE1' ' A' ' 69' ' ' TRP . 19.0 mm -56.43 -48.55 79.84 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.268 0 CA-C-O 121.549 0.69 . . . . 0.0 109.588 175.648 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 96' ' ' ASN . . . . . . . . . . . . . 9.9 t30 -76.36 -21.18 56.42 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.41 -0.814 . . . . 0.0 111.129 -178.673 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 97' ' ' ALA . . . . . . . . . . . . . . . -70.9 -41.84 70.73 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.098 0.475 . . . . 0.0 111.109 179.063 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 98' ' ' ARG . . . . . 0.413 ' C ' ' H ' ' B' ' 100' ' ' GLU . 13.6 ptm180 -75.93 -35.21 59.82 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.604 -173.021 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 99' ' ' LYS . . . . . . . . . . . . . 36.7 mtmm 63.76 -2.35 0.53 Allowed 'General case' 0 N--CA 1.471 0.591 0 CA-C-N 115.658 -0.701 . . . . 0.0 112.195 174.682 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 100' ' ' GLU . . . . . 0.424 ' OE2' ' HA ' ' B' ' 100' ' ' GLU . 5.7 mm-40 55.43 38.21 29.96 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.65 -0.704 . . . . 0.0 111.926 -176.187 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 101' ' ' LYS . . . . . . . . . . . . . 4.2 mptp? 56.44 54.19 7.83 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-N 115.681 -0.691 . . . . 0.0 110.562 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 102' ' ' LYS . . . . . . . . . . . . . 21.7 tptm -78.94 57.46 2.16 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.732 0.777 . . . . 0.0 109.928 -178.585 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 103' ' ' ARG . . . . . . . . . . . . . 19.4 ptt180 -123.15 8.26 9.19 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.044 -0.98 . . . . 0.0 109.339 178.947 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 104' ' ' ARG . . . . . . . . . . . . . 94.2 mtt180 . . . . . 0 C--O 1.25 1.08 0 CA-C-N 114.932 -1.031 . . . . 0.0 110.754 -179.413 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.08 0 CA-C-O 120.968 0.413 . . . . 0.0 110.747 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -59.71 -28.12 65.02 Favored Glycine 0 C--O 1.225 -0.456 0 CA-C-N 115.913 -0.585 . . . . 0.0 112.845 -177.136 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 27.7 tp -65.78 -23.62 66.76 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.019 0.438 . . . . 0.0 110.668 -179.371 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 83.6 mt -90.61 -37.33 13.87 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.498 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -77.54 -30.63 52.86 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.385 -0.37 . . . . 0.0 111.428 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 116.67 -1.85 20.05 Favored Glycine 0 N--CA 1.448 -0.517 0 C-N-CA 120.603 -0.808 . . . . 0.0 112.17 -178.811 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 33.1 p80 54.56 130.78 0.0 OUTLIER 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 125.361 1.464 . . . . 0.0 113.873 178.358 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.48 ' H ' ' HD2' ' A' ' 43' ' ' PRO . . . -177.35 -42.93 0.06 OUTLIER Glycine 0 CA--C 1.523 0.592 0 CA-C-O 119.103 -0.832 . . . . 0.0 113.692 -173.085 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.48 ' HD2' ' H ' ' A' ' 42' ' ' GLY . 95.2 Cg_exo -47.79 157.18 1.06 Allowed 'Trans proline' 0 C--N 1.356 0.948 0 C-N-CA 122.709 2.273 . . . . 0.0 113.014 174.056 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.436 HD11 ' OE1' ' A' ' 76' ' ' GLU . 44.5 pt -54.53 -29.43 20.38 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.441 0 CA-C-N 115.184 -0.917 . . . . 0.0 113.075 -168.037 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 59.8 mtp180 -59.44 -48.56 81.17 Favored 'General case' 0 C--O 1.236 0.367 0 CA-C-O 121.436 0.636 . . . . 0.0 110.116 176.285 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' MET . . . . . 0.61 ' O ' HG13 ' A' ' 50' ' ' ILE . 2.1 mpt? -69.83 -31.15 68.87 Favored 'General case' 0 C--O 1.217 -0.607 0 CA-C-N 115.374 -0.83 . . . . 0.0 110.414 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 62.6 t -59.42 -46.03 93.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-O 120.691 0.282 . . . . 0.0 110.74 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 11.1 mp -68.05 -36.28 79.62 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.769 178.253 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -65.97 -47.36 74.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.181 177.482 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.61 HG13 ' O ' ' A' ' 46' ' ' MET . 61.8 mt -66.34 -33.19 61.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 109.913 178.854 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.642 ' O ' ' HG2' ' A' ' 55' ' ' ARG . 10.3 tp -57.6 -55.98 27.79 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.906 -0.588 . . . . 0.0 109.79 174.852 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -55.74 -42.49 75.46 Favored 'General case' 0 C--O 1.232 0.178 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.468 178.865 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 73.0 t80 -53.2 -56.29 17.57 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.128 174.074 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 95.6 mt -73.14 -3.12 24.52 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 112.443 0.534 . . . . 0.0 112.443 -176.768 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.642 ' HG2' ' O ' ' A' ' 51' ' ' LEU . 37.2 mmt180 -96.02 -35.99 11.19 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.697 0.284 . . . . 0.0 110.991 175.387 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' PHE . . . . . 0.407 ' CZ ' ' HA ' ' B' ' 84' ' ' PHE . 86.4 m-85 -104.36 -13.73 16.01 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 111.968 0.359 . . . . 0.0 111.968 -175.799 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 16.7 p -109.61 -6.02 15.49 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.163 0.506 . . . . 0.0 109.997 175.773 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -147.55 -176.88 5.42 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.559 -0.746 . . . . 0.0 109.471 -178.153 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 46.9 mm -118.86 -21.62 4.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-O 121.762 0.791 . . . . 0.0 110.756 179.475 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 54.0 tptt -136.81 108.7 9.15 Favored Pre-proline 0 C--N 1.305 -1.33 0 CA-C-N 115.265 -0.879 . . . . 0.0 110.803 -178.443 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 16.8 Cg_exo -68.39 148.48 73.67 Favored 'Trans proline' 0 N--CA 1.462 -0.33 0 C-N-CA 122.67 2.247 . . . . 0.0 111.687 176.054 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 5.7 m -66.56 141.38 57.87 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.546 179.444 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 95.3 mt -62.8 -18.98 63.59 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.538 -0.756 . . . . 0.0 112.341 -173.573 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -63.48 -48.35 79.02 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.559 -0.829 . . . . 0.0 111.477 174.457 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -65.47 -40.41 93.13 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 109.811 -0.44 . . . . 0.0 109.811 177.93 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 49.5 mm -64.08 -37.75 80.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.852 179.434 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 48.1 t30 -61.42 -43.05 99.55 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.688 178.671 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 34.2 ttm180 -83.42 -22.43 32.69 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.993 0.425 . . . . 0.0 110.451 -178.936 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' TRP . . . . . 0.726 ' NE1' HD11 ' B' ' 95' ' ' ILE . 17.6 t90 -56.08 -51.92 66.16 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.487 -0.778 . . . . 0.0 110.658 178.221 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -75.13 -0.54 61.27 Favored Glycine 0 CA--C 1.52 0.364 0 C-N-CA 120.813 -0.708 . . . . 0.0 112.489 179.325 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 30.5 t -99.98 -16.49 17.93 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.686 0.279 . . . . 0.0 110.249 179.329 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 60.7 t -60.78 133.35 26.46 Favored 'Isoleucine or valine' 0 C--O 1.235 0.33 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.567 178.087 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -62.36 119.91 19.69 Favored Glycine 0 N--CA 1.443 -0.879 0 N-CA-C 111.336 -0.705 . . . . 0.0 111.336 177.188 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.543 ' HE2' ' HA ' ' B' ' 96' ' ' ASN . 10.9 ptmm? -58.74 -24.75 62.11 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 112.109 0.411 . . . . 0.0 112.109 -175.506 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 50.6 tptt -70.23 -57.4 4.94 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.19 0.519 . . . . 0.0 110.251 175.248 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.475 ' O ' HG13 ' A' ' 80' ' ' ILE . 12.6 tt0 -67.48 -30.89 70.7 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.75 -177.429 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.535 ' O ' HG12 ' A' ' 81' ' ' ILE . . . -54.92 -44.46 74.24 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 109.994 -0.372 . . . . 0.0 109.994 174.945 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 78' ' ' MET . . . . . 0.683 ' O ' ' HG2' ' A' ' 82' ' ' LYS . 62.1 mtt -64.38 -40.61 96.16 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.36 178.654 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -63.73 -42.06 97.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.905 178.721 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.475 HG13 ' O ' ' A' ' 76' ' ' GLU . 89.6 mt -62.44 -46.27 96.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.197 177.221 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.535 HG12 ' O ' ' A' ' 77' ' ' ALA . 42.7 mm -61.16 -36.33 71.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.224 179.843 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 82' ' ' LYS . . . . . 0.683 ' HG2' ' O ' ' A' ' 78' ' ' MET . 46.8 mmtm -58.02 -49.87 75.37 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-O 121.113 0.482 . . . . 0.0 110.067 175.642 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 59.4 mttp -66.01 -41.66 90.72 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.505 -179.527 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 84' ' ' PHE . . . . . 0.474 ' O ' ' HG ' ' A' ' 88' ' ' LEU . 1.3 t80 -56.73 -51.46 68.76 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.569 -178.484 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -63.63 -34.31 77.54 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.376 -179.773 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 86' ' ' LYS . . . . . 0.403 ' HG3' ' O ' ' A' ' 82' ' ' LYS . 62.6 mttp -68.83 -42.91 76.53 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.656 -0.247 . . . . 0.0 111.269 178.76 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 87' ' ' ASP . . . . . 0.593 ' O ' ' HG2' ' A' ' 91' ' ' MET . 1.3 m-20 -64.44 -40.77 96.36 Favored 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 110.253 -0.277 . . . . 0.0 110.253 177.594 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.474 ' HG ' ' O ' ' A' ' 84' ' ' PHE . 93.1 mt -58.45 -43.82 88.96 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.973 0.416 . . . . 0.0 110.327 176.631 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.49 ' O ' ' HG3' ' A' ' 93' ' ' ARG . . . -61.12 -44.54 97.18 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.661 -0.7 . . . . 0.0 110.881 179.552 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 90' ' ' ALA . . . . . 0.434 ' O ' HG13 ' A' ' 94' ' ' ILE . . . -62.37 -46.42 88.71 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.838 179.7 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 91' ' ' MET . . . . . 0.593 ' HG2' ' O ' ' A' ' 87' ' ' ASP . 23.6 mmt -62.81 -40.43 97.33 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.479 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 51.7 tp -59.82 -43.81 94.34 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.768 178.606 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 93' ' ' ARG . . . . . 0.49 ' HG3' ' O ' ' A' ' 89' ' ' ALA . 73.2 mtt180 -61.93 -34.38 75.99 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.987 -0.552 . . . . 0.0 110.43 178.37 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 0.567 ' O ' ' HG2' ' A' ' 98' ' ' ARG . 79.9 mt -69.61 -43.94 79.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.855 177.913 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.724 HD11 ' NE1' ' B' ' 69' ' ' TRP . 30.4 mm -56.84 -41.76 76.6 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.437 0 CA-C-O 121.504 0.669 . . . . 0.0 109.914 176.507 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 96' ' ' ASN . . . . . 0.533 ' HA ' ' HE2' ' B' ' 74' ' ' LYS . 7.2 t30 -65.29 -36.75 85.04 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 114.946 -1.024 . . . . 0.0 110.628 178.719 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -75.24 -24.64 57.69 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.775 -0.648 . . . . 0.0 111.293 -179.262 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 98' ' ' ARG . . . . . 0.584 ' HA ' ' NE ' ' A' ' 98' ' ' ARG . 2.8 mmp_? -71.53 -7.66 49.02 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 112.077 0.399 . . . . 0.0 112.077 -174.923 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 99' ' ' LYS . . . . . 0.427 ' HG3' ' HG2' ' A' ' 100' ' ' GLU . 23.4 tptm -82.62 -75.34 0.31 Allowed 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 109.687 -0.486 . . . . 0.0 109.687 174.108 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 100' ' ' GLU . . . . . 0.427 ' HG2' ' HG3' ' A' ' 99' ' ' LYS . 12.0 pt-20 -166.83 15.31 0.03 OUTLIER 'General case' 0 C--O 1.234 0.239 0 CA-C-O 120.656 0.265 . . . . 0.0 111.692 178.101 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 23.1 tptm -77.11 -61.28 2.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.725 0.297 . . . . 0.0 110.275 -177.855 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -122.19 132.37 54.41 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.158 0.504 . . . . 0.0 110.171 178.636 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 94.8 mtt180 -86.1 160.94 19.12 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.598 -175.83 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 12.1 ptm180 . . . . . 0 C--O 1.248 0.977 0 CA-C-O 118.483 -0.77 . . . . 0.0 110.608 -177.492 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.007 0 CA-C-O 121.054 0.454 . . . . 0.0 110.717 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 36' ' ' GLY . . . . . . . . . . . . . . . -59.69 -27.99 64.78 Favored Glycine 0 C--O 1.225 -0.431 0 CA-C-N 115.935 -0.575 . . . . 0.0 112.902 -177.323 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 27.6 tp -65.68 -23.89 66.88 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.148 0.499 . . . . 0.0 110.705 -179.521 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 83.2 mt -90.64 -36.64 14.27 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.603 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 39' ' ' LEU . . . . . 0.402 HD13 ' HA ' ' B' ' 39' ' ' LEU . 3.7 mm? -78.11 -30.85 49.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.472 179.611 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . 116.87 -1.84 19.71 Favored Glycine 0 N--CA 1.448 -0.554 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.147 -178.82 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 41' ' ' HIS . . . . . . . . . . . . . 33.0 p80 54.76 130.8 0.0 OUTLIER 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 125.322 1.449 . . . . 0.0 113.818 178.329 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 42' ' ' GLY . . . . . 0.475 ' H ' ' HD2' ' B' ' 43' ' ' PRO . . . -177.3 -43.29 0.06 OUTLIER Glycine 0 CA--C 1.524 0.61 0 CA-C-O 119.06 -0.855 . . . . 0.0 113.651 -173.106 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 43' ' ' PRO . . . . . 0.475 ' HD2' ' H ' ' B' ' 42' ' ' GLY . 92.7 Cg_exo -47.74 157.43 0.97 Allowed 'Trans proline' 0 C--N 1.356 0.925 0 C-N-CA 122.816 2.344 . . . . 0.0 112.894 174.275 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 44' ' ' ILE . . . . . 0.466 HD11 ' OE1' ' B' ' 76' ' ' GLU . 44.3 pt -54.72 -29.24 20.78 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.451 0 CA-C-N 115.159 -0.928 . . . . 0.0 113.139 -167.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 59.8 mtp180 -59.59 -48.67 80.74 Favored 'General case' 0 C--O 1.236 0.37 0 CA-C-O 121.406 0.622 . . . . 0.0 110.151 176.324 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 46' ' ' MET . . . . . 0.611 ' O ' HG13 ' B' ' 50' ' ' ILE . 2.0 mpt? -69.58 -31.38 69.5 Favored 'General case' 0 C--O 1.218 -0.586 0 CA-C-N 115.35 -0.841 . . . . 0.0 110.435 179.859 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 47' ' ' VAL . . . . . . . . . . . . . 59.8 t -59.19 -46.18 92.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-O 120.712 0.291 . . . . 0.0 110.875 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 11.1 mp -67.96 -36.29 79.82 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.804 178.266 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -65.88 -47.35 75.13 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.221 177.398 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 50' ' ' ILE . . . . . 0.611 HG13 ' O ' ' B' ' 46' ' ' MET . 61.9 mt -66.5 -33.05 60.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.126 -0.488 . . . . 0.0 109.988 178.761 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 51' ' ' LEU . . . . . 0.657 ' O ' ' HG2' ' B' ' 55' ' ' ARG . 10.3 tp -57.68 -55.83 29.82 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.041 -0.527 . . . . 0.0 109.845 174.761 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -55.76 -42.59 75.7 Favored 'General case' 0 C--O 1.232 0.182 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.485 178.833 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 53' ' ' PHE . . . . . . . . . . . . . 72.2 t80 -53.25 -56.24 18.12 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.564 -0.744 . . . . 0.0 110.056 174.148 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 54' ' ' LEU . . . . . . . . . . . . . 95.6 mt -73.11 -3.27 25.35 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 112.451 0.537 . . . . 0.0 112.451 -176.855 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 55' ' ' ARG . . . . . 0.657 ' HG2' ' O ' ' B' ' 51' ' ' LEU . 37.0 mmt180 -95.93 -36.12 11.2 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.802 0.334 . . . . 0.0 110.957 175.363 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 56' ' ' PHE . . . . . 0.4 ' CZ ' ' HA ' ' A' ' 84' ' ' PHE . 86.1 m-85 -104.06 -13.84 16.13 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 111.943 0.349 . . . . 0.0 111.943 -175.709 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 57' ' ' THR . . . . . . . . . . . . . 16.9 p -109.58 -6.05 15.5 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.094 0.473 . . . . 0.0 110.074 175.845 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -147.56 -176.69 5.35 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.539 -0.755 . . . . 0.0 109.422 -178.131 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 59' ' ' ILE . . . . . . . . . . . . . 46.8 mm -119.06 -21.58 4.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-O 121.862 0.839 . . . . 0.0 110.885 179.661 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 53.9 tptt -137.05 108.68 8.96 Favored Pre-proline 0 C--N 1.306 -1.303 0 CA-C-N 115.056 -0.974 . . . . 0.0 110.797 -178.515 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 61' ' ' PRO . . . . . . . . . . . . . 16.6 Cg_exo -68.58 147.74 70.98 Favored 'Trans proline' 0 N--CA 1.463 -0.297 0 C-N-CA 122.85 2.366 . . . . 0.0 111.803 175.947 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 6.6 m -65.9 141.79 58.12 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.465 179.725 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 95.7 mt -63.34 -18.91 64.15 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.519 -0.764 . . . . 0.0 112.236 -173.548 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -63.31 -48.48 78.63 Favored Glycine 0 C--O 1.237 0.326 0 C-N-CA 120.537 -0.839 . . . . 0.0 111.442 174.281 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -65.37 -40.42 93.51 Favored 'General case' 0 C--O 1.222 -0.347 0 N-CA-C 109.928 -0.397 . . . . 0.0 109.928 177.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 66' ' ' ILE . . . . . . . . . . . . . 49.5 mm -64.11 -37.47 79.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.9 179.391 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 67' ' ' ASN . . . . . . . . . . . . . 48.0 t30 -61.57 -42.97 99.62 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.71 178.748 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 68' ' ' ARG . . . . . . . . . . . . . 34.2 ttm180 -83.58 -22.42 32.33 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.453 -178.836 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 69' ' ' TRP . . . . . 0.724 ' NE1' HD11 ' A' ' 95' ' ' ILE . 17.8 t90 -56.17 -51.78 66.74 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.488 -0.778 . . . . 0.0 110.631 178.19 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . -75.53 0.07 61.55 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.897 -0.668 . . . . 0.0 112.436 179.263 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 71' ' ' SER . . . . . . . . . . . . . 28.0 t -100.7 -16.09 17.49 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 110.247 -0.279 . . . . 0.0 110.247 179.132 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 72' ' ' VAL . . . . . . . . . . . . . 61.5 t -61.15 133.33 26.9 Favored 'Isoleucine or valine' 0 C--O 1.235 0.297 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.586 177.965 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 73' ' ' GLY . . . . . . . . . . . . . . . -62.21 119.55 18.34 Favored Glycine 0 N--CA 1.444 -0.824 0 N-CA-C 111.404 -0.678 . . . . 0.0 111.404 177.112 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 74' ' ' LYS . . . . . 0.533 ' HE2' ' HA ' ' A' ' 96' ' ' ASN . 10.9 ptmm? -58.28 -25.14 61.45 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 112.216 0.45 . . . . 0.0 112.216 -175.531 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 75' ' ' LYS . . . . . . . . . . . . . 50.9 tptt -69.7 -57.6 4.94 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.187 0.517 . . . . 0.0 110.314 175.181 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 76' ' ' GLU . . . . . 0.482 ' O ' HG13 ' B' ' 80' ' ' ILE . 13.3 tt0 -67.69 -30.53 70.07 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.723 -0.671 . . . . 0.0 110.754 -177.202 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 77' ' ' ALA . . . . . 0.526 ' O ' HG12 ' B' ' 81' ' ' ILE . . . -54.98 -44.78 74.74 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.88 0.372 . . . . 0.0 110.0 174.687 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 78' ' ' MET . . . . . 0.667 ' O ' ' HG2' ' B' ' 82' ' ' LYS . 62.5 mtt -64.05 -40.77 97.02 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.33 178.583 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 79' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -63.79 -41.79 97.87 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.953 178.93 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 80' ' ' ILE . . . . . 0.482 HG13 ' O ' ' B' ' 76' ' ' GLU . 89.9 mt -62.64 -45.97 97.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.22 177.259 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 81' ' ' ILE . . . . . 0.526 HG12 ' O ' ' B' ' 77' ' ' ALA . 42.3 mm -61.44 -36.36 72.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 115.907 -0.588 . . . . 0.0 111.145 179.894 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 82' ' ' LYS . . . . . 0.667 ' HG2' ' O ' ' B' ' 78' ' ' MET . 46.7 mmtm -57.92 -49.91 75.15 Favored 'General case' 0 C--O 1.232 0.152 0 CA-C-O 121.095 0.474 . . . . 0.0 110.101 175.567 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 83' ' ' LYS . . . . . . . . . . . . . 59.4 mttp -66.12 -41.44 90.51 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.551 -0.75 . . . . 0.0 110.628 -179.516 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 84' ' ' PHE . . . . . 0.479 ' O ' ' HG ' ' B' ' 88' ' ' LEU . 1.3 t80 -56.93 -51.37 69.42 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.582 -178.656 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 85' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -63.66 -34.45 77.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.291 -179.748 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 86' ' ' LYS . . . . . . . . . . . . . 62.5 mttp -68.78 -43.0 76.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.565 -0.289 . . . . 0.0 111.303 178.902 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 87' ' ' ASP . . . . . 0.592 ' O ' ' HG2' ' B' ' 91' ' ' MET . 1.2 m-20 -64.26 -40.76 96.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.597 0.237 . . . . 0.0 110.452 177.436 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 88' ' ' LEU . . . . . 0.479 ' HG ' ' O ' ' B' ' 84' ' ' PHE . 92.9 mt -58.36 -43.81 88.54 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 121.004 0.43 . . . . 0.0 110.302 176.557 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 89' ' ' ALA . . . . . 0.485 ' O ' ' HG3' ' B' ' 93' ' ' ARG . . . -61.13 -44.84 96.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.907 179.58 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 90' ' ' ALA . . . . . 0.444 ' O ' HG13 ' B' ' 94' ' ' ILE . . . -62.11 -46.32 89.59 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.912 179.611 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 91' ' ' MET . . . . . 0.592 ' HG2' ' O ' ' B' ' 87' ' ' ASP . 23.6 mmt -62.83 -40.43 97.41 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.496 179.894 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 92' ' ' LEU . . . . . . . . . . . . . 51.7 tp -59.83 -43.72 94.44 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.803 178.496 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 93' ' ' ARG . . . . . 0.485 ' HG3' ' O ' ' B' ' 89' ' ' ALA . 73.3 mtt180 -62.1 -34.08 75.65 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.481 178.436 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 94' ' ' ILE . . . . . 0.563 ' O ' ' HG2' ' B' ' 98' ' ' ARG . 80.2 mt -69.96 -43.76 79.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.863 177.96 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 95' ' ' ILE . . . . . 0.726 HD11 ' NE1' ' A' ' 69' ' ' TRP . 30.4 mm -57.01 -41.64 77.76 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.412 0 CA-C-O 121.443 0.639 . . . . 0.0 109.875 176.478 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 96' ' ' ASN . . . . . 0.543 ' HA ' ' HE2' ' A' ' 74' ' ' LYS . 7.6 t30 -65.27 -36.95 85.7 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 114.967 -1.015 . . . . 0.0 110.529 178.736 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 97' ' ' ALA . . . . . . . . . . . . . . . -75.21 -24.46 57.76 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.815 -0.629 . . . . 0.0 111.418 -179.177 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 98' ' ' ARG . . . . . 0.583 ' NE ' ' HA ' ' B' ' 98' ' ' ARG . 2.8 mmp_? -71.73 -7.16 46.39 Favored 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 112.168 0.433 . . . . 0.0 112.168 -175.014 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 99' ' ' LYS . . . . . 0.437 ' HG3' ' HG2' ' B' ' 100' ' ' GLU . 23.4 tptm -83.11 -75.35 0.32 Allowed 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 109.7 -0.481 . . . . 0.0 109.7 174.011 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 100' ' ' GLU . . . . . 0.437 ' HG2' ' HG3' ' B' ' 99' ' ' LYS . 11.9 pt-20 -166.61 15.5 0.03 OUTLIER 'General case' 0 C--O 1.234 0.288 0 N-CA-C 111.728 0.27 . . . . 0.0 111.728 177.784 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 101' ' ' LYS . . . . . . . . . . . . . 23.1 tptm -77.07 -61.26 2.04 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.968 0.413 . . . . 0.0 110.324 -177.887 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 102' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -122.55 132.04 54.12 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.157 0.503 . . . . 0.0 110.258 178.85 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 103' ' ' ARG . . . . . . . . . . . . . 94.4 mtt180 -85.84 161.39 19.12 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 115.615 -0.721 . . . . 0.0 110.423 -175.36 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 104' ' ' ARG . . . . . . . . . . . . . 12.1 ptm180 . . . . . 0 C--O 1.249 1.053 0 CA-C-O 118.451 -0.785 . . . . 0.0 110.574 -177.026 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 0.987 0 N-CA-C 110.611 -0.144 . . . . 0.0 110.611 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -60.58 -27.36 65.99 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.796 -0.716 . . . . 0.0 113.411 -176.848 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 7.8 mp -57.98 -40.59 81.05 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.721 0.296 . . . . 0.0 111.312 -178.371 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 94.3 mt -90.63 -30.8 16.95 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.669 0.271 . . . . 0.0 111.24 -178.64 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -87.44 0.99 54.69 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.776 0.322 . . . . 0.0 111.602 -177.531 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 68.65 34.86 79.32 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 121.185 -0.531 . . . . 0.0 112.298 177.85 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 33.1 m170 -119.18 109.23 15.62 Favored 'General case' 0 C--N 1.322 -0.587 0 N-CA-C 110.181 -0.303 . . . . 0.0 110.181 -177.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -107.39 116.76 5.03 Favored Glycine 0 N--CA 1.444 -0.769 0 C-N-CA 120.559 -0.829 . . . . 0.0 112.23 -179.624 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.472 ' HD2' ' SD ' ' A' ' 46' ' ' MET . 32.5 Cg_exo -59.91 170.36 3.78 Favored 'Trans proline' 0 C--N 1.344 0.341 0 C-N-CA 122.925 2.417 . . . . 0.0 111.467 173.75 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 20.7 pt -49.49 -41.44 15.69 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.511 0 N-CA-C 113.075 0.768 . . . . 0.0 113.075 -172.069 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.539 ' HA ' HD13 ' A' ' 80' ' ' ILE . 97.9 mtt180 -62.26 -42.77 99.63 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 121.193 0.521 . . . . 0.0 110.765 178.375 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' MET . . . . . 0.565 ' O ' HG13 ' A' ' 50' ' ' ILE . 61.6 mtt -76.88 -20.85 55.78 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.012 179.375 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.448 HG23 ' O ' ' A' ' 43' ' ' PRO . 80.0 t -60.01 -48.76 86.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 N-CA-C 109.644 -0.502 . . . . 0.0 109.644 173.531 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 11.0 mp -65.59 -35.81 81.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.632 176.345 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -62.27 -50.77 70.37 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.86 0.362 . . . . 0.0 111.17 177.149 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.565 HG13 ' O ' ' A' ' 46' ' ' MET . 61.5 mt -66.51 -33.16 61.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-O 121.181 0.515 . . . . 0.0 110.151 178.388 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.547 ' O ' ' HG2' ' A' ' 55' ' ' ARG . 10.3 tp -61.9 -52.99 61.84 Favored 'General case' 0 N--CA 1.45 -0.427 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.188 178.678 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -56.41 -40.37 74.59 Favored 'General case' 0 CA--C 1.517 -0.318 0 O-C-N 123.298 0.374 . . . . 0.0 110.761 179.086 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.495 ' HB3' ' O ' ' A' ' 50' ' ' ILE . 55.2 t80 -50.69 -59.57 3.94 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.522 -0.763 . . . . 0.0 109.447 173.359 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.534 HD13 ' H ' ' A' ' 62' ' ' SER . 85.1 mt -65.86 -23.87 66.75 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.002 -0.545 . . . . 0.0 112.03 -178.04 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.547 ' HG2' ' O ' ' A' ' 51' ' ' LEU . 27.3 mmm180 -70.07 -38.39 75.73 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.971 0.415 . . . . 0.0 111.423 179.265 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 56' ' ' PHE . . . . . 0.461 ' CZ ' ' HA ' ' B' ' 84' ' ' PHE . 65.7 m-85 -107.26 -7.66 16.67 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.171 -0.468 . . . . 0.0 112.125 -175.251 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 74.2 p -102.49 -21.06 14.28 Favored 'General case' 0 C--N 1.326 -0.43 0 C-N-CA 120.335 -0.546 . . . . 0.0 110.972 173.888 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -138.3 174.9 10.07 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 116.26 -0.427 . . . . 0.0 109.894 -178.508 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 11.0 tp -106.04 6.76 10.01 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-O 121.779 0.8 . . . . 0.0 110.219 179.326 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 85.4 tttt -155.58 116.2 2.29 Favored Pre-proline 0 C--N 1.323 -0.586 0 CA-C-N 115.163 -0.926 . . . . 0.0 110.905 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 8.0 Cg_exo -72.69 143.31 37.41 Favored 'Trans proline' 0 N--CA 1.46 -0.471 0 C-N-CA 122.682 2.255 . . . . 0.0 111.014 171.87 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.534 ' H ' HD13 ' A' ' 54' ' ' LEU . 4.7 m -64.45 141.31 58.82 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.125 0.488 . . . . 0.0 110.873 -178.05 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 88.2 mt -60.52 -26.67 67.04 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.142 -0.936 . . . . 0.0 112.227 -172.401 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -62.75 -47.89 85.5 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.831 -0.7 . . . . 0.0 111.627 176.531 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -63.13 -42.79 99.57 Favored 'General case' 0 C--O 1.221 -0.423 0 N-CA-C 110.013 -0.366 . . . . 0.0 110.013 177.333 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 37.3 mm -58.41 -41.88 82.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 121.144 0.497 . . . . 0.0 111.132 178.904 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 28.1 t-20 -63.9 -40.27 96.12 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.09 -179.043 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 64.6 ttt180 -83.08 -23.14 33.24 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.237 0.541 . . . . 0.0 110.296 -178.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' TRP . . . . . 0.63 ' NE1' HD11 ' B' ' 95' ' ' ILE . 25.1 t90 -60.83 -47.07 88.02 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.26 -0.882 . . . . 0.0 110.522 178.121 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -72.12 -6.17 63.95 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.879 -0.677 . . . . 0.0 112.344 176.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 40.1 t -95.09 -10.66 30.06 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.794 0.33 . . . . 0.0 110.121 178.707 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 77.0 t -69.84 130.71 34.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.432 179.062 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -64.72 127.79 34.23 Favored Glycine 0 N--CA 1.448 -0.527 0 N-CA-C 110.551 -1.019 . . . . 0.0 110.551 174.136 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.449 ' O ' ' HG3' ' A' ' 78' ' ' MET . 6.9 ptpp? -68.4 -20.85 64.7 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 117.062 0.431 . . . . 0.0 111.154 -172.189 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 56.8 tptt -64.09 -49.99 70.07 Favored 'General case' 0 C--O 1.236 0.373 0 N-CA-C 109.471 -0.566 . . . . 0.0 109.471 173.421 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.491 ' O ' HG13 ' A' ' 80' ' ' ILE . 22.5 tp10 -62.91 -44.08 97.05 Favored 'General case' 0 N--CA 1.453 -0.324 0 CA-C-N 115.55 -0.75 . . . . 0.0 109.537 176.852 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.523 ' O ' HG12 ' A' ' 81' ' ' ILE . . . -53.9 -46.04 71.28 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.793 -0.639 . . . . 0.0 111.096 178.708 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 78' ' ' MET . . . . . 0.449 ' HG3' ' O ' ' A' ' 74' ' ' LYS . 66.5 mtt -59.34 -41.88 90.21 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.799 178.367 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -68.77 -37.05 79.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.753 179.566 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.539 HD13 ' HA ' ' A' ' 45' ' ' ARG . 86.6 mt -64.34 -51.43 68.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.516 177.189 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.523 HG12 ' O ' ' A' ' 77' ' ' ALA . 49.2 mm -59.42 -38.08 73.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.661 -179.76 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 62.5 tttp -59.58 -49.33 78.2 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.379 177.167 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 62.2 mttp -68.49 -36.3 78.73 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.934 179.493 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 84' ' ' PHE . . . . . 0.526 ' O ' ' HG ' ' A' ' 88' ' ' LEU . 0.3 OUTLIER -61.26 -53.66 54.03 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.394 -179.469 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 96.7 mttt -62.84 -33.78 75.97 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.977 -179.913 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 56.2 tttp -66.0 -45.27 82.18 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.483 178.144 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -66.49 -37.38 84.96 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.121 -178.934 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.526 ' HG ' ' O ' ' A' ' 84' ' ' PHE . 96.7 mt -64.63 -37.33 87.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.945 178.094 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -63.43 -44.31 94.94 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.952 0.406 . . . . 0.0 110.457 178.034 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 90' ' ' ALA . . . . . 0.505 ' O ' HG13 ' A' ' 94' ' ' ILE . . . -64.94 -43.23 93.4 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.135 176.505 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 91' ' ' MET . . . . . 0.499 ' O ' HG12 ' A' ' 95' ' ' ILE . 41.7 ttm -54.04 -48.44 70.54 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.257 -0.883 . . . . 0.0 110.53 178.163 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.427 ' HB2' HG13 ' B' ' 81' ' ' ILE . 50.1 tp -59.67 -44.1 93.72 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.38 -0.827 . . . . 0.0 111.281 179.694 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 83.9 mtp180 -61.5 -35.18 76.97 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.147 -179.048 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 0.575 ' O ' ' HG2' ' A' ' 98' ' ' ARG . 48.2 mt -75.9 -33.09 24.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 116.471 -0.331 . . . . 0.0 111.043 -179.308 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.623 HD11 ' NE1' ' B' ' 69' ' ' TRP . 13.6 mm -56.14 -44.4 78.83 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.317 0 CA-C-O 121.482 0.658 . . . . 0.0 109.295 173.788 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 28.3 t30 -63.18 -44.32 95.74 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 114.94 -1.027 . . . . 0.0 110.414 175.853 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -62.76 -24.78 67.88 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.969 -176.888 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 98' ' ' ARG . . . . . 0.575 ' HG2' ' O ' ' A' ' 94' ' ' ILE . 17.1 mmt180 -67.56 -20.07 65.35 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.495 -0.321 . . . . 0.0 111.143 -179.262 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 49.9 mmtm -112.51 -46.05 3.19 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.243 0.544 . . . . 0.0 110.009 174.137 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 5.7 tp10 64.22 9.83 5.09 Favored 'General case' 0 CA--C 1.532 0.28 0 CA-C-N 114.797 -1.092 . . . . 0.0 110.436 -178.723 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 75.7 mmtt -135.44 179.79 6.11 Favored 'General case' 0 N--CA 1.452 -0.353 0 CA-C-N 115.587 -0.733 . . . . 0.0 109.91 -179.63 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 64.8 mttp 63.84 110.29 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.234 0 O-C-N 124.02 0.825 . . . . 0.0 110.792 -176.414 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 22.2 mmt180 -59.64 104.68 0.3 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.673 -0.694 . . . . 0.0 111.23 -177.127 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 65.8 mtp180 . . . . . 0 C--O 1.25 1.129 0 CA-C-N 115.681 -0.691 . . . . 0.0 110.817 -179.725 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 0.899 0 N-CA-C 110.534 -0.172 . . . . 0.0 110.534 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 36' ' ' GLY . . . . . . . . . . . . . . . -61.4 -26.89 66.91 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.694 -0.765 . . . . 0.0 113.358 -176.787 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 7.8 mp -58.19 -40.11 80.67 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.711 0.291 . . . . 0.0 111.331 -178.444 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 94.8 mt -90.5 -31.72 16.65 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.751 0.31 . . . . 0.0 111.283 -178.935 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -86.72 0.84 53.89 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.759 0.314 . . . . 0.0 111.609 -177.309 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . 68.69 34.85 79.1 Favored Glycine 0 N--CA 1.453 -0.183 0 C-N-CA 121.173 -0.537 . . . . 0.0 112.375 177.921 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 41' ' ' HIS . . . . . . . . . . . . . 32.8 m170 -119.15 109.79 16.3 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 110.137 -0.32 . . . . 0.0 110.137 -177.955 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 42' ' ' GLY . . . . . . . . . . . . . . . -108.2 116.33 4.74 Favored Glycine 0 N--CA 1.443 -0.847 0 C-N-CA 120.581 -0.819 . . . . 0.0 112.144 -179.401 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 43' ' ' PRO . . . . . 0.47 ' HD2' ' SD ' ' B' ' 46' ' ' MET . 32.6 Cg_exo -59.88 170.42 3.69 Favored 'Trans proline' 0 C--N 1.344 0.329 0 C-N-CA 122.803 2.335 . . . . 0.0 111.517 173.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 20.7 pt -49.29 -41.44 14.81 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.575 0 N-CA-C 113.181 0.808 . . . . 0.0 113.181 -172.112 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 45' ' ' ARG . . . . . 0.531 ' HA ' HD13 ' B' ' 80' ' ' ILE . 98.1 mtt180 -62.48 -42.65 99.64 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 121.218 0.532 . . . . 0.0 110.684 178.524 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 46' ' ' MET . . . . . 0.567 ' O ' HG13 ' B' ' 50' ' ' ILE . 62.1 mtt -76.97 -20.94 55.49 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.907 -0.588 . . . . 0.0 111.011 179.396 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 47' ' ' VAL . . . . . 0.45 HG23 ' O ' ' B' ' 43' ' ' PRO . 77.8 t -59.9 -48.68 86.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 N-CA-C 109.685 -0.487 . . . . 0.0 109.685 173.527 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 11.0 mp -65.64 -35.81 81.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.676 176.225 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -62.26 -50.74 70.52 Favored 'General case' 0 CA--C 1.532 0.252 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.247 177.043 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 50' ' ' ILE . . . . . 0.567 HG13 ' O ' ' B' ' 46' ' ' MET . 61.5 mt -66.6 -33.26 62.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 121.123 0.487 . . . . 0.0 110.13 178.362 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 51' ' ' LEU . . . . . 0.557 ' O ' ' HG2' ' B' ' 55' ' ' ARG . 10.4 tp -61.68 -53.15 60.04 Favored 'General case' 0 N--CA 1.451 -0.412 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.186 178.53 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -56.46 -40.22 74.47 Favored 'General case' 0 N--CA 1.465 0.316 0 O-C-N 123.318 0.386 . . . . 0.0 110.753 179.151 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 53' ' ' PHE . . . . . 0.491 ' HB3' ' O ' ' B' ' 50' ' ' ILE . 55.7 t80 -50.85 -59.57 3.98 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.562 -0.744 . . . . 0.0 109.476 173.349 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 54' ' ' LEU . . . . . 0.529 HD13 ' H ' ' B' ' 62' ' ' SER . 84.9 mt -65.8 -23.87 66.8 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.029 -0.532 . . . . 0.0 112.059 -178.179 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 55' ' ' ARG . . . . . 0.557 ' HG2' ' O ' ' B' ' 51' ' ' LEU . 27.3 mmm180 -69.86 -38.76 76.55 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.886 0.374 . . . . 0.0 111.31 179.276 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 56' ' ' PHE . . . . . 0.453 ' CZ ' ' HA ' ' A' ' 84' ' ' PHE . 65.2 m-85 -107.05 -7.95 16.72 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 116.278 -0.419 . . . . 0.0 112.093 -175.088 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 57' ' ' THR . . . . . . . . . . . . . 74.1 p -102.21 -20.64 14.6 Favored 'General case' 0 C--N 1.327 -0.378 0 C-N-CA 120.285 -0.566 . . . . 0.0 111.037 173.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -138.75 174.82 10.12 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.052 -178.655 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 59' ' ' ILE . . . . . . . . . . . . . 10.9 tp -106.09 7.2 9.93 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-O 121.941 0.877 . . . . 0.0 110.328 179.332 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 85.6 tttt -155.92 116.43 2.23 Favored Pre-proline 0 C--N 1.321 -0.659 0 CA-C-N 115.024 -0.989 . . . . 0.0 110.939 179.667 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 61' ' ' PRO . . . . . . . . . . . . . 7.9 Cg_exo -72.97 143.2 36.05 Favored 'Trans proline' 0 N--CA 1.458 -0.563 0 C-N-CA 122.647 2.232 . . . . 0.0 110.977 171.73 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 62' ' ' SER . . . . . 0.529 ' H ' HD13 ' B' ' 54' ' ' LEU . 4.9 m -64.45 141.49 58.75 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.165 0.507 . . . . 0.0 110.881 -177.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 88.3 mt -60.53 -26.94 67.26 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.158 -0.928 . . . . 0.0 112.246 -172.458 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -62.39 -48.1 84.72 Favored Glycine 0 C--O 1.237 0.318 0 C-N-CA 120.644 -0.788 . . . . 0.0 111.696 176.451 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -62.89 -43.11 99.69 Favored 'General case' 0 C--O 1.22 -0.486 0 N-CA-C 109.961 -0.385 . . . . 0.0 109.961 177.401 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 66' ' ' ILE . . . . . . . . . . . . . 37.4 mm -58.15 -41.79 81.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.167 178.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 67' ' ' ASN . . . . . . . . . . . . . 28.3 t-20 -64.06 -39.81 94.9 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.176 -178.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 68' ' ' ARG . . . . . . . . . . . . . 64.3 ttt180 -83.52 -23.2 32.19 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.223 0.535 . . . . 0.0 110.287 -179.095 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 69' ' ' TRP . . . . . 0.623 ' NE1' HD11 ' A' ' 95' ' ' ILE . 25.1 t90 -60.74 -47.18 87.44 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.276 -0.875 . . . . 0.0 110.579 178.162 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . -71.9 -6.33 63.49 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.938 -0.649 . . . . 0.0 112.32 176.956 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 71' ' ' SER . . . . . . . . . . . . . 38.1 t -94.95 -10.62 30.52 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.845 0.355 . . . . 0.0 110.108 178.708 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 72' ' ' VAL . . . . . . . . . . . . . 81.0 t -69.94 130.42 34.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.479 179.285 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 73' ' ' GLY . . . . . . . . . . . . . . . -64.33 127.48 34.91 Favored Glycine 0 N--CA 1.448 -0.56 0 N-CA-C 110.52 -1.032 . . . . 0.0 110.52 174.167 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 74' ' ' LYS . . . . . 0.463 ' O ' ' HG3' ' B' ' 78' ' ' MET . 7.0 ptpp? -68.25 -20.68 64.82 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 117.116 0.458 . . . . 0.0 111.253 -172.246 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 75' ' ' LYS . . . . . . . . . . . . . 56.6 tptt -64.42 -50.0 69.3 Favored 'General case' 0 C--O 1.235 0.297 0 N-CA-C 109.381 -0.6 . . . . 0.0 109.381 173.415 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 76' ' ' GLU . . . . . 0.492 ' O ' HG13 ' B' ' 80' ' ' ILE . 22.3 tp10 -62.76 -44.15 96.94 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.524 -0.762 . . . . 0.0 109.532 176.744 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 77' ' ' ALA . . . . . 0.512 ' O ' HG12 ' B' ' 81' ' ' ILE . . . -53.82 -46.06 71.01 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.867 -0.606 . . . . 0.0 111.144 178.646 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 78' ' ' MET . . . . . 0.463 ' HG3' ' O ' ' B' ' 74' ' ' LYS . 66.8 mtt -59.23 -42.15 90.35 Favored 'General case' 0 C--O 1.233 0.205 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.748 178.34 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 79' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -68.62 -37.05 79.43 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.769 179.645 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 80' ' ' ILE . . . . . 0.531 HD13 ' HA ' ' B' ' 45' ' ' ARG . 86.4 mt -64.34 -51.47 67.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.627 177.088 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 81' ' ' ILE . . . . . 0.512 HG12 ' O ' ' B' ' 77' ' ' ALA . 49.3 mm -59.34 -38.18 73.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.751 -179.875 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 82' ' ' LYS . . . . . . . . . . . . . 62.3 tttp -59.44 -49.17 78.82 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.89 -0.596 . . . . 0.0 110.464 177.143 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 83' ' ' LYS . . . . . . . . . . . . . 61.9 mttp -68.66 -36.22 78.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.826 -0.624 . . . . 0.0 110.896 179.57 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 84' ' ' PHE . . . . . 0.533 ' O ' ' HG ' ' B' ' 88' ' ' LEU . 0.3 OUTLIER -61.43 -53.53 55.29 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.782 -0.644 . . . . 0.0 110.357 -179.526 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 85' ' ' LYS . . . . . . . . . . . . . 96.7 mttt -63.17 -33.46 75.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.918 -179.852 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 86' ' ' LYS . . . . . . . . . . . . . 56.1 tttp -66.17 -45.23 81.61 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.532 178.102 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 87' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -66.45 -37.54 85.38 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.122 -179.07 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 88' ' ' LEU . . . . . 0.533 ' HG ' ' O ' ' B' ' 84' ' ' PHE . 96.8 mt -64.51 -37.45 87.59 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.979 178.044 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -63.18 -44.06 96.46 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.999 0.428 . . . . 0.0 110.442 178.057 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 90' ' ' ALA . . . . . 0.512 ' O ' HG13 ' B' ' 94' ' ' ILE . . . -65.31 -43.28 91.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.139 176.665 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 91' ' ' MET . . . . . 0.503 ' O ' HG12 ' B' ' 95' ' ' ILE . 41.6 ttm -54.01 -48.45 70.45 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.179 -0.919 . . . . 0.0 110.496 178.152 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 92' ' ' LEU . . . . . 0.438 ' HB2' HG13 ' A' ' 81' ' ' ILE . 50.7 tp -59.76 -44.07 94.03 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.418 -0.81 . . . . 0.0 111.261 179.75 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 93' ' ' ARG . . . . . . . . . . . . . 83.8 mtp180 -61.87 -34.41 75.96 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.24 -178.941 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 94' ' ' ILE . . . . . 0.583 ' O ' ' HG2' ' B' ' 98' ' ' ARG . 48.6 mt -76.56 -32.8 21.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-N 116.491 -0.322 . . . . 0.0 111.022 -179.538 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 95' ' ' ILE . . . . . 0.63 HD11 ' NE1' ' A' ' 69' ' ' TRP . 13.7 mm -56.28 -44.9 80.82 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.309 0 N-CA-C 109.201 -0.666 . . . . 0.0 109.201 173.652 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 96' ' ' ASN . . . . . 0.423 ' OD1' ' HE2' ' A' ' 74' ' ' LYS . 28.9 t30 -62.7 -44.65 95.69 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.013 -0.994 . . . . 0.0 110.324 175.885 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 97' ' ' ALA . . . . . . . . . . . . . . . -62.18 -25.14 67.6 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.093 -0.503 . . . . 0.0 112.052 -176.954 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 98' ' ' ARG . . . . . 0.583 ' HG2' ' O ' ' B' ' 94' ' ' ILE . 16.7 mmt180 -67.26 -20.34 65.64 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.776 0.322 . . . . 0.0 111.161 -179.125 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 99' ' ' LYS . . . . . . . . . . . . . 50.0 mmtm -112.19 -46.18 3.22 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.126 0.488 . . . . 0.0 110.018 174.316 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 100' ' ' GLU . . . . . . . . . . . . . 5.5 tp10 63.93 10.28 5.17 Favored 'General case' 0 CA--C 1.531 0.217 0 CA-C-N 114.811 -1.086 . . . . 0.0 110.47 -178.591 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 101' ' ' LYS . . . . . . . . . . . . . 75.7 mmtt -135.73 179.94 6.03 Favored 'General case' 0 C--O 1.236 0.38 0 CA-C-N 115.564 -0.744 . . . . 0.0 109.885 -179.877 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 102' ' ' LYS . . . . . . . . . . . . . 64.9 mttp 63.75 110.02 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.199 0 O-C-N 124.074 0.859 . . . . 0.0 110.939 -176.147 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 103' ' ' ARG . . . . . . . . . . . . . 22.3 mmt180 -58.97 104.47 0.24 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.789 -0.641 . . . . 0.0 111.188 -177.387 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 104' ' ' ARG . . . . . . . . . . . . . 66.4 mtp180 . . . . . 0 C--O 1.249 1.039 0 O-C-N 123.658 0.599 . . . . 0.0 110.781 179.684 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.054 0 CA-C-O 120.893 0.378 . . . . 0.0 110.6 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -66.03 -24.79 71.87 Favored Glycine 0 N--CA 1.449 -0.451 0 C-N-CA 120.93 -0.652 . . . . 0.0 112.361 -177.685 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 47.2 tp -69.27 -23.73 63.88 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 120.947 0.403 . . . . 0.0 110.837 179.357 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 81.9 mt -100.81 -37.56 8.64 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.341 -0.391 . . . . 0.0 111.464 -176.389 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -92.02 -22.97 19.68 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 111.869 0.322 . . . . 0.0 111.869 -176.557 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 89.94 -7.13 82.26 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.673 -0.775 . . . . 0.0 111.631 -176.127 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 51.4 t60 -99.03 101.77 13.26 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 109.785 -0.45 . . . . 0.0 109.785 179.457 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -87.8 124.34 7.08 Favored Glycine 0 N--CA 1.443 -0.835 0 C-N-CA 120.642 -0.79 . . . . 0.0 112.025 -178.689 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.467 ' O ' HG23 ' A' ' 47' ' ' VAL . 22.5 Cg_exo -65.0 171.72 8.37 Favored 'Trans proline' 0 N--CA 1.462 -0.338 0 C-N-CA 122.387 2.058 . . . . 0.0 111.429 174.912 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.474 ' HB ' HG13 ' A' ' 72' ' ' VAL . 24.6 pt -53.55 -33.0 21.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-O 120.991 0.424 . . . . 0.0 111.522 -177.197 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.483 ' HA ' HD13 ' A' ' 80' ' ' ILE . 19.8 mtp180 -59.59 -46.43 88.96 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.038 177.782 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' MET . . . . . 0.403 ' HG2' ' HA ' ' B' ' 57' ' ' THR . 84.2 mtp -77.55 -22.41 51.07 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.084 -178.299 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.467 HG23 ' O ' ' A' ' 43' ' ' PRO . 96.8 t -63.9 -41.62 93.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 N-CA-C 110.013 -0.366 . . . . 0.0 110.013 175.734 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 68.5 mt -71.8 -34.04 69.04 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.302 175.214 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -61.65 -50.58 71.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.051 177.75 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 15.4 tt -72.87 -25.63 22.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.587 -179.438 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.491 ' O ' ' HG2' ' A' ' 55' ' ' ARG . 12.9 tp -60.07 -58.24 9.37 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.083 175.778 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.442 ' O ' ' HD1' ' A' ' 56' ' ' PHE . . . -55.27 -42.95 74.24 Favored 'General case' 0 CA--C 1.516 -0.328 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.28 179.431 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.413 ' HB2' ' HB2' ' B' ' 53' ' ' PHE . 72.7 t80 -51.85 -59.65 4.07 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.273 175.248 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 95.1 mt -71.42 -6.68 42.11 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 112.505 0.557 . . . . 0.0 112.505 -175.545 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.499 ' HA ' HH11 ' A' ' 55' ' ' ARG . 10.4 mmm180 -98.24 -32.37 11.6 Favored 'General case' 0 C--N 1.327 -0.406 0 O-C-N 122.225 -0.297 . . . . 0.0 111.564 178.491 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 56' ' ' PHE . . . . . 0.442 ' HD1' ' O ' ' A' ' 52' ' ' ALA . 85.2 m-85 -96.98 -5.88 36.79 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 120.778 0.323 . . . . 0.0 110.958 179.189 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 70.3 p -100.59 -33.03 10.47 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.821 172.427 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -149.24 -179.59 7.16 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.816 -176.292 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.422 ' N ' HD12 ' A' ' 59' ' ' ILE . 4.1 mp -111.5 123.97 67.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.03 -179.644 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 88.8 tttt 63.75 99.52 0.04 OUTLIER Pre-proline 0 N--CA 1.466 0.365 0 O-C-N 123.721 0.638 . . . . 0.0 111.012 -178.473 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 36.1 Cg_exo -61.03 -66.59 0.06 OUTLIER 'Trans proline' 0 C--N 1.345 0.375 0 C-N-CA 123.246 2.631 . . . . 0.0 112.524 -178.274 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.524 ' O ' HG12 ' A' ' 66' ' ' ILE . 61.8 p 178.98 151.27 0.31 Allowed 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 108.867 -0.79 . . . . 0.0 108.867 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 83.6 mt -67.92 -20.51 65.09 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.574 -0.285 . . . . 0.0 110.893 -178.936 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -72.59 -46.35 32.12 Favored Glycine 0 N--CA 1.448 -0.505 0 C-N-CA 121.05 -0.595 . . . . 0.0 112.018 176.654 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -67.03 -40.39 87.2 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.661 0.267 . . . . 0.0 110.487 178.145 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.524 HG12 ' O ' ' A' ' 62' ' ' SER . 49.5 mm -65.72 -32.18 57.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 121.136 0.493 . . . . 0.0 110.599 178.749 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 49.8 t-20 -63.28 -45.68 90.29 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.92 -0.582 . . . . 0.0 109.802 176.2 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.413 HH11 HG21 ' A' ' 47' ' ' VAL . 22.4 ttt-85 -77.09 -22.78 52.24 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.271 0.557 . . . . 0.0 109.716 -178.275 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 69' ' ' TRP . . . . . 0.601 ' NE1' HD11 ' B' ' 95' ' ' ILE . 24.6 t90 -59.36 -44.58 92.67 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.149 -0.932 . . . . 0.0 110.482 176.762 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -74.51 -3.99 68.37 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.464 178.492 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 32.5 t -92.28 -17.32 24.92 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.843 0.354 . . . . 0.0 110.281 179.097 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.474 HG13 ' HB ' ' A' ' 44' ' ' ILE . 98.8 t -60.51 132.0 25.64 Favored 'Isoleucine or valine' 0 C--O 1.234 0.266 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.122 178.366 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -61.29 116.2 9.0 Favored Glycine 0 N--CA 1.442 -0.949 0 N-CA-C 110.471 -1.052 . . . . 0.0 110.471 175.677 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.582 ' O ' ' HG3' ' A' ' 78' ' ' MET . 4.9 ptpp? -62.65 -24.02 67.4 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.677 0.238 . . . . 0.0 111.497 -173.681 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 42.7 tptt -65.83 -50.06 65.97 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 109.719 -0.474 . . . . 0.0 109.719 171.762 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.448 ' O ' HG13 ' A' ' 80' ' ' ILE . 10.1 tp10 -63.4 -38.9 92.92 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.661 -0.699 . . . . 0.0 109.729 178.289 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.418 ' O ' HG12 ' A' ' 81' ' ' ILE . . . -56.94 -43.45 81.54 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.7 177.67 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 78' ' ' MET . . . . . 0.582 ' HG3' ' O ' ' A' ' 74' ' ' LYS . 67.9 mtt -61.41 -40.62 95.08 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.428 177.782 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 67.9 mm-40 -67.25 -45.97 75.11 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.882 178.418 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.515 ' O ' ' HB2' ' A' ' 84' ' ' PHE . 96.8 mt -60.63 -50.62 79.71 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.371 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.953 179.494 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.425 HG23 ' HB3' ' B' ' 88' ' ' LEU . 45.2 mm -62.79 -35.97 73.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-O 120.959 0.409 . . . . 0.0 110.93 -179.555 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 24.3 ttpp -62.59 -50.57 70.74 Favored 'General case' 0 C--O 1.238 0.457 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.933 178.504 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 18.8 ptpt -73.6 -25.44 60.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.52 -0.309 . . . . 0.0 110.546 179.474 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 84' ' ' PHE . . . . . 0.525 ' O ' ' HG ' ' A' ' 88' ' ' LEU . 1.8 t80 -62.46 -53.21 58.21 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.011 -0.54 . . . . 0.0 109.62 177.453 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -61.85 -35.54 78.57 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-N 115.716 -0.674 . . . . 0.0 110.606 178.938 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 26.4 ttpp -58.06 -51.26 70.44 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-N 115.861 -0.608 . . . . 0.0 110.789 176.539 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 87' ' ' ASP . . . . . 0.487 ' O ' ' HG3' ' A' ' 91' ' ' MET . 0.8 OUTLIER -70.01 -32.42 70.58 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.376 -178.691 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.525 ' HG ' ' O ' ' A' ' 84' ' ' PHE . 77.3 mt -61.22 -40.16 92.97 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.877 0.37 . . . . 0.0 110.404 175.729 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -62.58 -41.67 99.09 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.4 177.105 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 90' ' ' ALA . . . . . 0.599 ' O ' HG13 ' A' ' 94' ' ' ILE . . . -63.55 -47.63 80.81 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.546 176.252 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 91' ' ' MET . . . . . 0.555 ' O ' HG12 ' A' ' 95' ' ' ILE . 65.6 mtt -56.46 -51.0 70.07 Favored 'General case' 0 N--CA 1.463 0.199 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.663 179.251 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 7.7 tt -55.09 -45.53 75.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.594 177.635 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 1.5 ttp180 -60.2 -38.08 82.19 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.322 -0.854 . . . . 0.0 111.138 178.571 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 0.603 ' O ' ' HG2' ' A' ' 98' ' ' ARG . 62.1 mt -74.82 -34.0 32.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 116.627 -0.261 . . . . 0.0 111.214 -179.667 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.608 HD11 ' NE1' ' B' ' 69' ' ' TRP . 14.3 mm -54.91 -46.19 75.9 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.336 0 N-CA-C 109.268 -0.641 . . . . 0.0 109.268 175.109 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 93.0 m-20 -60.62 -42.78 97.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.341 -0.845 . . . . 0.0 110.606 175.118 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -70.18 -14.77 62.78 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.347 -0.388 . . . . 0.0 112.028 -176.073 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 98' ' ' ARG . . . . . 0.603 ' HG2' ' O ' ' A' ' 94' ' ' ILE . 12.4 mmm180 -67.79 -26.25 66.0 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.863 0.363 . . . . 0.0 110.925 178.355 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 14.7 mmmm -126.19 -31.08 2.86 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.901 0.381 . . . . 0.0 111.208 -177.764 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 66.22 24.33 10.75 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-N 115.205 -0.907 . . . . 0.0 113.157 174.216 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 38.2 ttmt -70.06 -54.31 13.66 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 109.603 -0.517 . . . . 0.0 109.603 173.066 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 12.6 mmmm 63.65 -173.31 0.16 Allowed 'General case' 0 C--O 1.235 0.312 0 CA-C-N 115.35 -0.841 . . . . 0.0 110.533 -178.606 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 103' ' ' ARG . . . . . 0.509 ' O ' ' HD2' ' A' ' 104' ' ' ARG . 14.0 mmm180 -114.73 -56.89 2.33 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 108.927 -0.768 . . . . 0.0 108.927 173.167 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 104' ' ' ARG . . . . . 0.509 ' HD2' ' O ' ' A' ' 103' ' ' ARG . 13.2 mmm180 . . . . . 0 C--O 1.245 0.824 0 CA-C-N 115.51 -0.768 . . . . 0.0 109.658 173.673 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 0.972 0 CA-C-O 120.798 0.332 . . . . 0.0 110.5 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 36' ' ' GLY . . . . . . . . . . . . . . . -65.94 -24.87 71.8 Favored Glycine 0 N--CA 1.45 -0.41 0 C-N-CA 120.948 -0.644 . . . . 0.0 112.401 -177.77 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 47.5 tp -69.17 -23.72 63.97 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 120.913 0.387 . . . . 0.0 110.881 179.42 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 82.2 mt -100.76 -37.62 8.64 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.432 -176.463 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -92.1 -22.69 19.76 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 111.849 0.314 . . . . 0.0 111.849 -176.487 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . 89.57 -6.82 82.9 Favored Glycine 0 N--CA 1.452 -0.242 0 C-N-CA 120.593 -0.813 . . . . 0.0 111.582 -176.461 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 41' ' ' HIS . . . . . . . . . . . . . 51.8 t60 -99.25 101.85 13.3 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 109.831 -0.433 . . . . 0.0 109.831 179.196 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 42' ' ' GLY . . . . . . . . . . . . . . . -88.1 124.17 7.04 Favored Glycine 0 N--CA 1.443 -0.834 0 C-N-CA 120.586 -0.816 . . . . 0.0 112.064 -178.522 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 43' ' ' PRO . . . . . 0.47 ' O ' HG23 ' B' ' 47' ' ' VAL . 22.5 Cg_exo -64.86 172.01 7.76 Favored 'Trans proline' 0 N--CA 1.462 -0.369 0 C-N-CA 122.44 2.094 . . . . 0.0 111.348 175.135 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 44' ' ' ILE . . . . . 0.483 ' HB ' HG13 ' B' ' 72' ' ' VAL . 24.1 pt -53.89 -33.04 23.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-O 120.888 0.375 . . . . 0.0 111.51 -177.198 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 45' ' ' ARG . . . . . 0.476 ' HA ' HD13 ' B' ' 80' ' ' ILE . 19.9 mtp180 -59.43 -46.45 88.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.879 -0.6 . . . . 0.0 111.073 177.655 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 46' ' ' MET . . . . . . . . . . . . . 84.7 mtp -77.66 -22.23 50.93 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.127 -178.253 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 47' ' ' VAL . . . . . 0.47 HG23 ' O ' ' B' ' 43' ' ' PRO . 96.8 t -63.96 -41.68 93.28 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 N-CA-C 109.937 -0.394 . . . . 0.0 109.937 175.685 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 67.8 mt -71.86 -33.98 68.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.906 0.384 . . . . 0.0 110.341 175.205 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -61.6 -50.6 71.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.026 -0.533 . . . . 0.0 111.131 177.629 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 50' ' ' ILE . . . . . . . . . . . . . 15.5 tt -72.92 -25.7 22.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.558 -179.397 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 51' ' ' LEU . . . . . 0.497 ' O ' ' HG2' ' B' ' 55' ' ' ARG . 12.8 tp -59.99 -58.25 9.34 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.394 -0.367 . . . . 0.0 110.088 175.788 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 52' ' ' ALA . . . . . 0.436 ' O ' ' HD1' ' B' ' 56' ' ' PHE . . . -55.25 -42.86 74.03 Favored 'General case' 0 CA--C 1.517 -0.306 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.307 179.437 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 53' ' ' PHE . . . . . 0.413 ' HB2' ' HB2' ' A' ' 53' ' ' PHE . 72.3 t80 -52.03 -59.62 4.14 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.225 175.293 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 54' ' ' LEU . . . . . . . . . . . . . 95.1 mt -71.42 -6.54 41.05 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 112.519 0.563 . . . . 0.0 112.519 -175.547 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 55' ' ' ARG . . . . . 0.497 ' HG2' ' O ' ' B' ' 51' ' ' LEU . 10.4 mmm180 -98.48 -31.93 11.73 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.692 0.282 . . . . 0.0 111.621 178.411 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 56' ' ' PHE . . . . . 0.436 ' HD1' ' O ' ' B' ' 52' ' ' ALA . 84.8 m-85 -97.32 -5.75 35.88 Favored 'General case' 0 C--N 1.321 -0.667 0 C-N-CA 120.886 -0.326 . . . . 0.0 110.909 179.137 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 57' ' ' THR . . . . . 0.403 ' HA ' ' HG2' ' A' ' 46' ' ' MET . 70.5 p -100.6 -33.06 10.46 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.868 172.581 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -149.39 -179.43 7.06 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.78 -176.204 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 59' ' ' ILE . . . . . 0.416 HD12 ' N ' ' B' ' 59' ' ' ILE . 4.1 mp -111.72 124.29 68.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 N-CA-C 109.895 -0.409 . . . . 0.0 109.895 -179.388 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 88.8 tttt 63.44 99.72 0.04 OUTLIER Pre-proline 0 N--CA 1.466 0.346 0 O-C-N 123.817 0.698 . . . . 0.0 110.856 -178.484 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 61' ' ' PRO . . . . . . . . . . . . . 36.4 Cg_exo -61.17 -67.42 0.05 OUTLIER 'Trans proline' 0 C--N 1.345 0.377 0 C-N-CA 123.226 2.617 . . . . 0.0 112.313 -178.564 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 62' ' ' SER . . . . . 0.526 ' O ' HG12 ' B' ' 66' ' ' ILE . 61.6 p 179.78 151.4 0.39 Allowed 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.792 -0.818 . . . . 0.0 108.792 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 82.7 mt -67.93 -20.97 65.13 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.658 -0.246 . . . . 0.0 110.834 -178.848 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -72.25 -46.35 34.89 Favored Glycine 0 N--CA 1.449 -0.462 0 C-N-CA 121.076 -0.583 . . . . 0.0 112.071 176.634 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -67.01 -40.33 87.26 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.544 0.211 . . . . 0.0 110.545 178.033 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 66' ' ' ILE . . . . . 0.526 HG12 ' O ' ' B' ' 62' ' ' SER . 49.4 mm -65.89 -31.96 56.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-O 121.123 0.487 . . . . 0.0 110.572 178.784 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 67' ' ' ASN . . . . . . . . . . . . . 49.3 t-20 -63.4 -45.62 90.22 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.995 -0.548 . . . . 0.0 109.857 176.031 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 68' ' ' ARG . . . . . 0.418 HH11 HG21 ' B' ' 47' ' ' VAL . 23.7 ttt-85 -77.15 -22.56 52.37 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.306 0.574 . . . . 0.0 109.763 -178.267 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 69' ' ' TRP . . . . . 0.608 ' NE1' HD11 ' A' ' 95' ' ' ILE . 24.7 t90 -59.55 -44.57 93.19 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.086 -0.961 . . . . 0.0 110.435 176.911 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . -74.34 -4.55 69.4 Favored Glycine 0 N--CA 1.45 -0.405 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.499 178.496 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 71' ' ' SER . . . . . . . . . . . . . 31.6 t -91.85 -17.44 25.28 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.885 0.374 . . . . 0.0 110.23 179.262 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 72' ' ' VAL . . . . . 0.483 HG13 ' HB ' ' B' ' 44' ' ' ILE . 98.7 t -60.4 132.07 25.54 Favored 'Isoleucine or valine' 0 C--O 1.234 0.27 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.112 178.354 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 73' ' ' GLY . . . . . . . . . . . . . . . -61.56 116.36 9.24 Favored Glycine 0 N--CA 1.441 -1.016 0 N-CA-C 110.346 -1.102 . . . . 0.0 110.346 175.841 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 74' ' ' LYS . . . . . 0.584 ' O ' ' HG3' ' B' ' 78' ' ' MET . 4.9 ptpp? -62.73 -23.86 67.39 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.746 0.273 . . . . 0.0 111.501 -173.567 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 75' ' ' LYS . . . . . . . . . . . . . 42.5 tptt -65.86 -50.16 65.53 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 109.709 -0.478 . . . . 0.0 109.709 171.823 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 76' ' ' GLU . . . . . 0.445 ' O ' HG13 ' B' ' 80' ' ' ILE . 9.5 tp10 -63.29 -38.83 92.69 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.689 -0.687 . . . . 0.0 109.74 178.241 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 77' ' ' ALA . . . . . 0.405 ' O ' HG12 ' B' ' 81' ' ' ILE . . . -56.84 -43.58 81.26 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.719 177.582 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 78' ' ' MET . . . . . 0.584 ' HG3' ' O ' ' B' ' 74' ' ' LYS . 67.9 mtt -61.16 -40.88 95.52 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.49 177.865 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 79' ' ' GLU . . . . . . . . . . . . . 67.7 mm-40 -67.09 -45.9 75.88 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.924 178.419 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 80' ' ' ILE . . . . . 0.516 ' O ' ' HB2' ' B' ' 84' ' ' PHE . 96.9 mt -60.72 -50.61 79.78 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.334 0 CA-C-N 115.839 -0.618 . . . . 0.0 110.903 179.524 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 81' ' ' ILE . . . . . 0.414 HG23 ' HB3' ' A' ' 88' ' ' LEU . 45.3 mm -62.9 -35.97 73.55 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-O 120.874 0.368 . . . . 0.0 110.885 -179.606 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 82' ' ' LYS . . . . . . . . . . . . . 24.1 ttpp -62.48 -50.8 69.99 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.891 178.426 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 83' ' ' LYS . . . . . . . . . . . . . 18.8 ptpt -73.49 -25.21 60.35 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.801 0.334 . . . . 0.0 110.564 179.583 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 84' ' ' PHE . . . . . 0.525 ' O ' ' HG ' ' B' ' 88' ' ' LEU . 1.8 t80 -62.62 -53.21 57.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.044 -0.526 . . . . 0.0 109.588 177.432 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 85' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -61.88 -35.28 77.86 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.653 178.884 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 86' ' ' LYS . . . . . . . . . . . . . 26.4 ttpp -58.23 -51.65 68.87 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.653 176.428 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 87' ' ' ASP . . . . . 0.478 ' O ' ' HG3' ' B' ' 91' ' ' MET . 0.7 OUTLIER -69.55 -32.32 71.04 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.501 -178.548 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 88' ' ' LEU . . . . . 0.525 ' HG ' ' O ' ' B' ' 84' ' ' PHE . 78.2 mt -61.47 -40.0 92.96 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.896 0.379 . . . . 0.0 110.354 175.91 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -62.67 -41.82 99.29 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.335 177.058 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 90' ' ' ALA . . . . . 0.598 ' O ' HG13 ' B' ' 94' ' ' ILE . . . -63.39 -47.47 81.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.596 176.345 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 91' ' ' MET . . . . . 0.546 ' O ' HG12 ' B' ' 95' ' ' ILE . 65.6 mtt -56.49 -51.12 69.68 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.608 179.187 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 92' ' ' LEU . . . . . . . . . . . . . 7.7 tt -55.07 -45.54 75.35 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.625 177.659 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 93' ' ' ARG . . . . . 0.434 HH11 ' HD2' ' B' ' 93' ' ' ARG . 1.4 ttp180 -60.07 -38.27 82.37 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.297 -0.865 . . . . 0.0 111.173 178.515 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 94' ' ' ILE . . . . . 0.602 ' O ' ' HG2' ' B' ' 98' ' ' ARG . 62.6 mt -74.8 -33.97 32.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.638 -0.255 . . . . 0.0 111.172 -179.584 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 95' ' ' ILE . . . . . 0.601 HD11 ' NE1' ' A' ' 69' ' ' TRP . 14.1 mm -54.72 -46.35 73.86 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.301 0 N-CA-C 109.203 -0.665 . . . . 0.0 109.203 175.016 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 96' ' ' ASN . . . . . . . . . . . . . 92.6 m-20 -60.66 -42.53 97.22 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.339 -0.846 . . . . 0.0 110.725 175.364 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 97' ' ' ALA . . . . . . . . . . . . . . . -70.3 -14.78 62.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.33 -0.396 . . . . 0.0 111.981 -176.199 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 98' ' ' ARG . . . . . 0.602 ' HG2' ' O ' ' B' ' 94' ' ' ILE . 12.4 mmm180 -67.73 -26.27 66.06 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.789 0.328 . . . . 0.0 110.839 178.38 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 99' ' ' LYS . . . . . . . . . . . . . 14.6 mmmm -126.3 -31.02 2.84 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.04 0.448 . . . . 0.0 111.304 -177.799 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 100' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 66.3 24.16 10.65 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-N 115.217 -0.901 . . . . 0.0 113.089 174.046 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 101' ' ' LYS . . . . . . . . . . . . . 38.3 ttmt -69.67 -55.13 10.85 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 109.535 -0.543 . . . . 0.0 109.535 172.758 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 102' ' ' LYS . . . . . . . . . . . . . 12.6 mmmm 64.12 -173.02 0.17 Allowed 'General case' 0 C--O 1.235 0.298 0 CA-C-N 115.358 -0.837 . . . . 0.0 110.513 -178.292 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 103' ' ' ARG . . . . . 0.501 ' O ' ' HD2' ' B' ' 104' ' ' ARG . 14.2 mmm180 -114.96 -57.14 2.3 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 108.721 -0.844 . . . . 0.0 108.721 173.36 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 104' ' ' ARG . . . . . 0.501 ' HD2' ' O ' ' B' ' 103' ' ' ARG . 13.0 mmm180 . . . . . 0 C--O 1.245 0.84 0 CA-C-N 115.487 -0.779 . . . . 0.0 109.77 173.823 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.409 ' HB1' HD23 ' A' ' 38' ' ' LEU . . . . . . . . 0 N--CA 1.479 1.013 0 CA-C-O 120.995 0.426 . . . . 0.0 110.641 . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -64.15 -30.46 77.84 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 121.102 -0.571 . . . . 0.0 113.303 -176.321 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -73.63 -16.06 61.24 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.7 0.286 . . . . 0.0 111.302 -178.326 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.409 HD23 ' HB1' ' A' ' 35' ' ' ALA . 3.8 mm? -105.28 -46.25 4.27 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.596 -0.274 . . . . 0.0 111.362 -178.098 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -90.45 -14.91 31.87 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 111.631 0.234 . . . . 0.0 111.631 -175.772 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 74.78 12.04 83.09 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.624 -0.798 . . . . 0.0 111.391 -175.791 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 35.0 m170 -127.98 99.91 5.69 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 109.573 -0.529 . . . . 0.0 109.573 -178.705 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -113.79 167.26 12.27 Favored Glycine 0 N--CA 1.445 -0.716 0 C-N-CA 120.397 -0.906 . . . . 0.0 112.492 -177.68 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.476 ' O ' HG23 ' A' ' 47' ' ' VAL . 22.8 Cg_exo -65.47 174.71 4.93 Favored 'Trans proline' 0 C--O 1.233 0.235 0 C-N-CA 122.964 2.443 . . . . 0.0 112.294 177.333 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 22.7 pt -53.9 -38.28 36.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 N-CA-C 112.642 0.608 . . . . 0.0 112.642 -173.301 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 19.0 mtp180 -62.5 -45.61 92.2 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-O 120.896 0.379 . . . . 0.0 110.719 179.446 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' MET . . . . . 0.554 ' O ' HG13 ' A' ' 50' ' ' ILE . 24.1 mtt -60.18 -36.25 77.21 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.836 176.2 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.476 HG23 ' O ' ' A' ' 43' ' ' PRO . 64.0 t -60.36 -45.93 95.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.454 -0.339 . . . . 0.0 111.011 -178.75 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 11.1 mp -65.56 -32.46 74.06 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.803 0.335 . . . . 0.0 110.8 178.523 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -69.31 -47.63 63.9 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.875 176.39 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.554 HG13 ' O ' ' A' ' 46' ' ' MET . 61.3 mt -64.46 -33.37 62.45 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.166 0 CA-C-O 121.132 0.492 . . . . 0.0 109.897 177.715 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.639 ' O ' ' HG2' ' A' ' 55' ' ' ARG . 14.6 tp -56.38 -59.03 5.55 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.515 -0.766 . . . . 0.0 110.111 175.323 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.446 ' O ' ' HD1' ' A' ' 56' ' ' PHE . . . -57.47 -41.93 81.61 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.899 -0.592 . . . . 0.0 110.634 -179.818 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 88.2 t80 -52.02 -59.87 3.85 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.266 175.522 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 96.0 mt -65.88 -15.36 62.87 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 112.298 0.481 . . . . 0.0 112.298 -176.895 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.639 ' HG2' ' O ' ' A' ' 51' ' ' LEU . 41.4 mmt180 -82.96 -50.04 8.98 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.1 0.476 . . . . 0.0 111.301 178.145 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 56' ' ' PHE . . . . . 0.575 ' CZ ' ' HA ' ' B' ' 84' ' ' PHE . 87.7 m-85 -89.56 -13.97 36.13 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.759 -172.689 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 44.6 p -99.99 -46.75 5.24 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.257 0.551 . . . . 0.0 110.574 176.589 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -119.11 -178.83 3.66 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.409 -172.46 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 4.2 mp -120.72 124.55 72.63 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-N 115.755 -0.657 . . . . 0.0 109.314 176.8 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 1.6 tmtp? 72.83 96.92 0.04 OUTLIER Pre-proline 0 C--O 1.234 0.277 0 O-C-N 124.017 0.823 . . . . 0.0 110.31 -178.782 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 16.0 Cg_exo -70.16 144.96 53.48 Favored 'Trans proline' 0 C--O 1.236 0.386 0 C-N-CA 123.049 2.499 . . . . 0.0 111.539 174.905 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 39.1 m -57.84 139.33 54.35 Favored 'General case' 0 C--O 1.237 0.404 0 CA-C-O 121.309 0.576 . . . . 0.0 111.138 179.873 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 96.2 mt -66.35 -16.47 64.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.317 -0.856 . . . . 0.0 112.256 -172.283 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -64.81 -48.4 72.46 Favored Glycine 0 C--O 1.238 0.386 0 C-N-CA 120.498 -0.858 . . . . 0.0 111.313 174.526 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -64.09 -40.42 96.2 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 109.657 -0.497 . . . . 0.0 109.657 176.729 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.455 ' O ' ' HB3' ' A' ' 69' ' ' TRP . 49.0 mm -63.3 -34.94 70.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 115.727 -0.67 . . . . 0.0 111.03 178.613 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 61.5 t30 -64.87 -40.84 95.77 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.523 179.369 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 28.2 ttm180 -81.97 -24.2 35.63 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.086 0.47 . . . . 0.0 109.838 179.514 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' TRP . . . . . 0.59 ' NE1' HD11 ' B' ' 95' ' ' ILE . 38.3 t90 -56.91 -50.75 71.59 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.377 -0.829 . . . . 0.0 110.38 175.189 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -75.18 -0.7 61.9 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.846 -0.692 . . . . 0.0 112.592 178.295 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 33.2 t -95.25 -10.1 31.31 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.943 0.402 . . . . 0.0 110.172 178.756 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 40.1 t -75.11 140.05 18.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-N 115.961 -0.563 . . . . 0.0 109.634 177.661 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -68.0 136.85 31.15 Favored Glycine 0 N--CA 1.441 -0.988 0 N-CA-C 111.042 -0.823 . . . . 0.0 111.042 177.243 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.459 ' HE2' ' HB2' ' B' ' 99' ' ' LYS . 44.1 mttp -59.56 -42.83 93.34 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 120.836 0.35 . . . . 0.0 110.311 -175.882 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 55.6 tptt -63.71 -45.21 91.02 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.545 177.357 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.477 ' O ' HG13 ' A' ' 80' ' ' ILE . 15.8 tp10 -61.61 -45.49 93.87 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.854 -0.612 . . . . 0.0 109.993 -179.719 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -60.4 -40.63 91.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.676 178.638 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' MET . . . . . 0.541 ' SD ' HD21 ' B' ' 92' ' ' LEU . 61.2 mmm -55.85 -42.61 76.09 Favored 'General case' 0 C--O 1.233 0.237 0 CA-C-O 120.947 0.403 . . . . 0.0 110.595 177.433 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -73.25 -38.77 65.86 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.775 -0.648 . . . . 0.0 111.002 -179.31 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.477 HG13 ' O ' ' A' ' 76' ' ' GLU . 86.1 mt -65.05 -48.55 83.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.574 178.502 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 41.2 mm -63.61 -34.26 66.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.67 179.458 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 29.2 ttpp -58.87 -49.85 76.23 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.093 0.473 . . . . 0.0 110.108 175.549 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 14.0 tmtt? -67.2 -36.22 81.26 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.815 -0.63 . . . . 0.0 109.623 178.759 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 84' ' ' PHE . . . . . 0.592 ' HA ' ' CZ ' ' B' ' 56' ' ' PHE . 1.4 t80 -59.18 -54.41 47.2 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.5 -0.773 . . . . 0.0 110.589 -179.79 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 99.7 mttt -58.67 -44.97 90.37 Favored 'General case' 0 C--O 1.233 0.19 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.125 -179.59 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 60.8 mtpt -66.05 -36.58 83.63 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.377 -177.491 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 16.9 t0 -68.97 -39.53 79.39 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 109.306 -0.628 . . . . 0.0 109.306 179.363 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.503 ' HG ' ' O ' ' A' ' 84' ' ' PHE . 96.2 mt -59.33 -46.21 89.22 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.533 -0.758 . . . . 0.0 110.087 174.908 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -61.58 -36.36 80.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.741 -0.663 . . . . 0.0 111.361 -179.558 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 90' ' ' ALA . . . . . 0.573 ' O ' HG13 ' A' ' 94' ' ' ILE . . . -67.53 -50.4 58.85 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.567 178.75 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 74.4 mtm -66.07 -34.23 77.59 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.725 179.715 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.552 HD21 ' SD ' ' B' ' 78' ' ' MET . 51.6 tp -56.33 -45.42 80.36 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.564 0.697 . . . . 0.0 110.336 173.855 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 67.4 ttt180 -64.72 -32.72 74.52 Favored 'General case' 0 N--CA 1.439 -1.01 0 CA-C-N 115.472 -0.786 . . . . 0.0 110.672 178.736 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 0.573 HG13 ' O ' ' A' ' 90' ' ' ALA . 19.5 mt -70.71 -28.63 34.87 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 C-N-CA 120.794 -0.363 . . . . 0.0 110.315 177.809 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.569 HD11 ' NE1' ' B' ' 69' ' ' TRP . 29.7 mm -57.39 -48.08 83.4 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.14 0 CA-C-O 121.631 0.729 . . . . 0.0 109.157 171.138 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 96' ' ' ASN . . . . . 0.438 ' HA ' ' HD3' ' B' ' 74' ' ' LYS . 51.1 t30 -66.41 -35.54 80.58 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 114.894 -1.048 . . . . 0.0 110.403 177.245 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 97' ' ' ALA . . . . . 0.488 ' HB3' ' HA ' ' A' ' 94' ' ' ILE . . . -71.14 -7.46 46.82 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.556 -0.747 . . . . 0.0 112.137 -178.71 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 98' ' ' ARG . . . . . 0.401 ' HG2' ' O ' ' A' ' 94' ' ' ILE . 5.2 mmp_? -68.03 -19.59 64.91 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.956 0.407 . . . . 0.0 110.517 178.696 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 99' ' ' LYS . . . . . 0.501 ' HB2' ' HE2' ' B' ' 74' ' ' LYS . 60.4 tttm -82.89 -52.04 7.07 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.908 179.524 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -167.0 -45.74 0.02 OUTLIER 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.538 -0.756 . . . . 0.0 110.886 -169.37 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 37.1 ttmt 65.63 99.07 0.04 OUTLIER 'General case' 0 N--CA 1.463 0.215 0 O-C-N 123.649 0.593 . . . . 0.0 109.67 -172.289 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 102' ' ' LYS . . . . . 0.534 ' HD3' ' N ' ' A' ' 102' ' ' LYS . 0.1 OUTLIER -81.17 43.76 0.73 Allowed 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.382 -177.302 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 15.8 ptm180 47.25 -173.18 0.01 OUTLIER 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 125.165 1.386 . . . . 0.0 113.76 177.762 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 68.7 mtt180 . . . . . 0 C--O 1.25 1.115 0 CA-C-N 115.056 -0.975 . . . . 0.0 111.547 177.056 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 35' ' ' ALA . . . . . 0.404 ' HB1' HD23 ' B' ' 38' ' ' LEU . . . . . . . . 0 N--CA 1.481 1.09 0 CA-C-O 121.022 0.439 . . . . 0.0 110.74 . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 36' ' ' GLY . . . . . . . . . . . . . . . -63.85 -30.25 77.16 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 121.024 -0.608 . . . . 0.0 113.3 -176.169 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -73.96 -15.83 61.1 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 120.839 0.352 . . . . 0.0 111.347 -178.248 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 38' ' ' LEU . . . . . 0.404 HD23 ' HB1' ' B' ' 35' ' ' ALA . 3.8 mm? -105.24 -46.93 4.1 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.477 -0.328 . . . . 0.0 111.265 -178.331 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -90.04 -14.78 33.16 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.667 0.27 . . . . 0.0 111.702 -175.765 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . 74.92 11.78 83.54 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.562 -0.827 . . . . 0.0 111.406 -175.886 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 41' ' ' HIS . . . . . . . . . . . . . 34.9 m170 -127.79 99.64 5.62 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 109.564 -0.532 . . . . 0.0 109.564 -178.427 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 42' ' ' GLY . . . . . . . . . . . . . . . -113.78 167.26 12.27 Favored Glycine 0 N--CA 1.446 -0.692 0 C-N-CA 120.423 -0.894 . . . . 0.0 112.543 -177.48 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 43' ' ' PRO . . . . . 0.476 ' O ' HG23 ' B' ' 47' ' ' VAL . 22.8 Cg_exo -65.63 174.79 5.0 Favored 'Trans proline' 0 C--N 1.343 0.282 0 C-N-CA 122.817 2.344 . . . . 0.0 112.311 177.57 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 22.5 pt -53.92 -38.38 36.55 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 N-CA-C 112.564 0.579 . . . . 0.0 112.564 -173.181 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 19.0 mtp180 -62.19 -45.47 93.23 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-O 120.861 0.362 . . . . 0.0 110.803 179.335 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 46' ' ' MET . . . . . 0.552 ' O ' HG13 ' B' ' 50' ' ' ILE . 24.0 mtt -60.66 -36.11 77.9 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.734 176.518 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 47' ' ' VAL . . . . . 0.476 HG23 ' O ' ' B' ' 43' ' ' PRO . 63.4 t -60.33 -45.95 95.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.11 -178.873 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 11.1 mp -65.37 -32.68 74.45 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.74 0.305 . . . . 0.0 110.924 178.355 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -69.07 -47.71 64.59 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.922 176.258 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 50' ' ' ILE . . . . . 0.552 HG13 ' O ' ' B' ' 46' ' ' MET . 61.2 mt -64.36 -33.57 63.59 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.16 0 CA-C-O 121.146 0.498 . . . . 0.0 109.95 177.729 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 51' ' ' LEU . . . . . 0.637 ' O ' ' HG2' ' B' ' 55' ' ' ARG . 14.7 tp -56.29 -58.98 5.68 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.531 -0.759 . . . . 0.0 110.124 175.287 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 52' ' ' ALA . . . . . 0.468 ' O ' ' HD1' ' B' ' 56' ' ' PHE . . . -57.5 -41.99 81.85 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.676 -179.859 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 53' ' ' PHE . . . . . . . . . . . . . 88.3 t80 -51.97 -59.75 3.98 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.351 175.471 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 54' ' ' LEU . . . . . . . . . . . . . 96.0 mt -66.0 -15.48 63.06 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 112.29 0.478 . . . . 0.0 112.29 -176.879 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 55' ' ' ARG . . . . . 0.637 ' HG2' ' O ' ' B' ' 51' ' ' LEU . 41.6 mmt180 -82.76 -50.47 8.65 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.077 0.465 . . . . 0.0 111.181 178.094 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 56' ' ' PHE . . . . . 0.592 ' CZ ' ' HA ' ' A' ' 84' ' ' PHE . 87.3 m-85 -89.03 -13.86 37.77 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.755 -172.484 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 57' ' ' THR . . . . . . . . . . . . . 44.3 p -100.15 -46.88 5.16 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.304 0.574 . . . . 0.0 110.572 176.47 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -118.83 -178.4 3.54 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.339 -172.508 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 59' ' ' ILE . . . . . . . . . . . . . 4.2 mp -121.02 124.37 72.1 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-N 115.643 -0.708 . . . . 0.0 109.45 176.713 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 1.6 tmtp? 73.08 96.88 0.04 OUTLIER Pre-proline 0 N--CA 1.465 0.292 0 O-C-N 124.017 0.823 . . . . 0.0 110.222 -178.758 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 61' ' ' PRO . . . . . . . . . . . . . 16.0 Cg_exo -70.15 145.03 53.73 Favored 'Trans proline' 0 C--O 1.234 0.299 0 C-N-CA 123.074 2.516 . . . . 0.0 111.561 174.863 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 33.2 m -57.96 139.15 55.02 Favored 'General case' 0 C--O 1.237 0.447 0 CA-C-O 121.201 0.524 . . . . 0.0 111.162 179.891 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 96.0 mt -66.04 -16.56 64.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.367 -0.833 . . . . 0.0 112.279 -172.397 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -64.69 -48.64 70.39 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.522 -0.847 . . . . 0.0 111.333 174.443 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -64.05 -40.38 96.15 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 109.755 -0.461 . . . . 0.0 109.755 176.759 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 66' ' ' ILE . . . . . 0.468 ' O ' ' HB3' ' B' ' 69' ' ' TRP . 48.8 mm -63.05 -35.47 71.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 115.736 -0.665 . . . . 0.0 110.919 178.432 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 67' ' ' ASN . . . . . . . . . . . . . 62.0 t30 -64.54 -41.17 96.52 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.477 179.728 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 68' ' ' ARG . . . . . . . . . . . . . 27.5 ttm180 -81.52 -24.17 36.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.124 0.488 . . . . 0.0 109.93 179.599 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 69' ' ' TRP . . . . . 0.569 ' NE1' HD11 ' A' ' 95' ' ' ILE . 38.5 t90 -56.99 -50.64 72.09 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.37 -0.832 . . . . 0.0 110.372 175.24 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . -74.95 -1.51 62.88 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.93 -0.652 . . . . 0.0 112.564 178.367 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 71' ' ' SER . . . . . . . . . . . . . 34.6 t -94.67 -9.84 33.63 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.05 0.452 . . . . 0.0 110.089 178.938 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 72' ' ' VAL . . . . . . . . . . . . . 39.9 t -75.42 139.91 18.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 115.968 -0.56 . . . . 0.0 109.685 177.619 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 73' ' ' GLY . . . . . . . . . . . . . . . -68.03 136.75 31.02 Favored Glycine 0 N--CA 1.44 -1.085 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 177.402 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 74' ' ' LYS . . . . . 0.501 ' HE2' ' HB2' ' A' ' 99' ' ' LYS . 44.4 mttp -59.56 -42.93 93.53 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 120.849 0.357 . . . . 0.0 110.384 -175.861 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 75' ' ' LYS . . . . . . . . . . . . . 55.6 tptt -63.6 -45.29 91.05 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.592 177.259 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 76' ' ' GLU . . . . . 0.485 ' O ' HG13 ' B' ' 80' ' ' ILE . 15.9 tp10 -61.42 -45.68 93.3 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.762 -0.654 . . . . 0.0 109.998 -179.671 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 77' ' ' ALA . . . . . . . . . . . . . . . -60.29 -40.53 90.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.774 178.628 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 78' ' ' MET . . . . . 0.552 ' SD ' HD21 ' A' ' 92' ' ' LEU . 61.2 mmm -55.92 -42.56 76.29 Favored 'General case' 0 N--CA 1.462 0.175 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.592 177.402 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 79' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -73.5 -38.39 65.37 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.045 -179.125 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 80' ' ' ILE . . . . . 0.485 HG13 ' O ' ' B' ' 76' ' ' GLU . 85.7 mt -65.27 -48.51 83.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.614 178.232 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 81' ' ' ILE . . . . . . . . . . . . . 41.3 mm -63.68 -34.22 66.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.901 0.381 . . . . 0.0 110.734 179.399 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 82' ' ' LYS . . . . . . . . . . . . . 29.2 ttpp -58.78 -49.97 75.67 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.161 175.458 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 83' ' ' LYS . . . . . . . . . . . . . 13.9 tmtt? -67.18 -36.17 81.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.784 -0.644 . . . . 0.0 109.686 178.548 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 84' ' ' PHE . . . . . 0.575 ' HA ' ' CZ ' ' A' ' 56' ' ' PHE . 1.4 t80 -59.28 -54.26 48.91 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.637 -0.711 . . . . 0.0 110.528 -179.786 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 85' ' ' LYS . . . . . . . . . . . . . 99.7 mttt -58.95 -44.55 91.46 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.149 -179.456 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 86' ' ' LYS . . . . . . . . . . . . . 60.2 mtpt -66.17 -36.87 84.23 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.372 -177.506 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 87' ' ' ASP . . . . . . . . . . . . . 16.1 t0 -68.81 -39.27 80.17 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 109.543 -0.54 . . . . 0.0 109.543 179.251 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 88' ' ' LEU . . . . . 0.508 ' HG ' ' O ' ' B' ' 84' ' ' PHE . 96.1 mt -59.62 -45.93 90.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.555 -0.748 . . . . 0.0 110.028 174.913 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -61.71 -36.68 81.64 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.764 -0.653 . . . . 0.0 111.284 -179.488 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 90' ' ' ALA . . . . . 0.575 ' O ' HG13 ' B' ' 94' ' ' ILE . . . -67.42 -50.25 60.21 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.608 178.935 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 91' ' ' MET . . . . . . . . . . . . . 74.1 mtm -66.05 -34.11 77.34 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.812 179.382 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 92' ' ' LEU . . . . . 0.541 HD21 ' SD ' ' A' ' 78' ' ' MET . 51.3 tp -56.48 -45.31 81.0 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.547 0.689 . . . . 0.0 110.304 173.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 93' ' ' ARG . . . . . . . . . . . . . 67.6 ttt180 -64.63 -33.06 75.05 Favored 'General case' 0 N--CA 1.439 -1.016 0 CA-C-N 115.482 -0.781 . . . . 0.0 110.665 178.664 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 94' ' ' ILE . . . . . 0.575 HG13 ' O ' ' B' ' 90' ' ' ALA . 19.4 mt -70.47 -28.64 35.65 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 C-N-CA 120.853 -0.339 . . . . 0.0 110.306 177.878 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 95' ' ' ILE . . . . . 0.59 HD11 ' NE1' ' A' ' 69' ' ' TRP . 29.6 mm -57.5 -48.0 83.86 Favored 'Isoleucine or valine' 0 C--O 1.233 0.217 0 N-CA-C 109.034 -0.728 . . . . 0.0 109.034 171.159 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 96' ' ' ASN . . . . . 0.433 ' HA ' ' HD3' ' A' ' 74' ' ' LYS . 50.7 t30 -66.5 -35.38 80.11 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.042 -0.981 . . . . 0.0 110.376 177.331 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 97' ' ' ALA . . . . . 0.488 ' HB3' ' HA ' ' B' ' 94' ' ' ILE . . . -71.22 -7.73 48.84 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.594 -0.73 . . . . 0.0 112.1 -178.762 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 98' ' ' ARG . . . . . 0.41 ' HG2' ' O ' ' B' ' 94' ' ' ILE . 5.2 mmp_? -67.7 -19.46 65.17 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.869 0.366 . . . . 0.0 110.594 178.616 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 99' ' ' LYS . . . . . 0.459 ' HB2' ' HE2' ' A' ' 74' ' ' LYS . 60.7 tttm -83.03 -52.43 6.66 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.674 179.7 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 100' ' ' GLU . . . . . . . . . . . . . 41.2 tt0 -166.71 -45.75 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.48 -0.782 . . . . 0.0 110.924 -169.177 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 101' ' ' LYS . . . . . . . . . . . . . 37.2 ttmt 65.81 99.15 0.04 OUTLIER 'General case' 0 N--CA 1.463 0.209 0 O-C-N 123.636 0.585 . . . . 0.0 109.662 -172.383 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 102' ' ' LYS . . . . . 0.525 ' N ' ' HD3' ' B' ' 102' ' ' LYS . 0.1 OUTLIER -81.43 43.6 0.74 Allowed 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.338 -177.06 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 103' ' ' ARG . . . . . . . . . . . . . 15.8 ptm180 47.33 -173.36 0.01 OUTLIER 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 125.043 1.337 . . . . 0.0 113.727 177.808 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 104' ' ' ARG . . . . . 0.412 HH11 ' HD2' ' B' ' 104' ' ' ARG . 68.4 mtt180 . . . . . 0 C--O 1.248 1.016 0 CA-C-N 115.138 -0.937 . . . . 0.0 111.636 176.775 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.016 0 CA-C-O 120.975 0.417 . . . . 0.0 110.367 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -59.12 -39.23 94.15 Favored Glycine 0 N--CA 1.452 -0.278 0 CA-C-N 116.05 -0.523 . . . . 0.0 113.455 -174.714 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 10.7 mp -70.88 -19.91 62.57 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-O 120.623 0.249 . . . . 0.0 111.498 -176.779 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 10.1 mp -95.38 -35.16 11.86 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.851 0.358 . . . . 0.0 110.639 -178.174 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -92.98 -6.12 49.12 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.228 -178.521 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 73.23 34.26 58.19 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.934 -0.651 . . . . 0.0 112.244 177.878 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 31.8 m170 -132.27 173.93 10.75 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 110.111 -0.329 . . . . 0.0 110.111 -176.677 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -123.76 89.22 0.4 Allowed Glycine 0 N--CA 1.441 -0.975 0 N-CA-C 111.078 -0.809 . . . . 0.0 111.078 174.813 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.526 ' HD2' ' SD ' ' A' ' 46' ' ' MET . 31.6 Cg_exo -60.37 161.66 19.61 Favored 'Trans proline' 0 C--N 1.343 0.281 0 C-N-CA 122.816 2.344 . . . . 0.0 111.52 178.449 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.53 HD12 ' HG2' ' A' ' 76' ' ' GLU . 11.2 pt -55.59 -26.38 19.62 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.337 0 N-CA-C 113.44 0.904 . . . . 0.0 113.44 -169.232 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.491 HH11 HD11 ' A' ' 80' ' ' ILE . 3.4 mpt_? -61.86 -50.17 73.3 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-O 121.59 0.709 . . . . 0.0 109.48 172.785 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' MET . . . . . 0.526 ' SD ' ' HD2' ' A' ' 43' ' ' PRO . 80.4 mtp -70.74 -29.28 65.48 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 114.963 -1.017 . . . . 0.0 111.007 -179.249 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 98.2 t -62.35 -46.15 97.1 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.156 0 CA-C-O 120.775 0.322 . . . . 0.0 110.461 178.912 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 80.5 mt -68.87 -35.19 76.6 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.822 177.689 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -65.93 -48.82 70.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.436 179.08 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.41 ' O ' ' HB3' ' A' ' 53' ' ' PHE . 15.0 tt -71.4 -25.33 24.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.878 0.37 . . . . 0.0 110.3 -179.577 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.556 HD23 ' SD ' ' B' ' 91' ' ' MET . 11.9 tp -62.36 -55.81 24.38 Favored 'General case' 0 N--CA 1.451 -0.413 0 N-CA-C 109.652 -0.499 . . . . 0.0 109.652 176.133 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -57.44 -37.78 73.38 Favored 'General case' 0 CA--C 1.52 -0.196 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.585 178.174 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.41 ' HB3' ' O ' ' A' ' 50' ' ' ILE . 91.7 t80 -54.03 -56.11 21.05 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.609 -0.723 . . . . 0.0 109.72 173.82 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 81.1 mt -69.7 -10.05 56.78 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.989 -178.762 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.556 ' HG2' ' O ' ' A' ' 51' ' ' LEU . 27.7 mmm180 -85.34 -37.4 19.96 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.949 0.404 . . . . 0.0 111.044 177.407 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' PHE . . . . . 0.447 ' CZ ' ' HA ' ' B' ' 84' ' ' PHE . 66.4 m-85 -106.96 -10.92 15.82 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.277 -0.42 . . . . 0.0 112.042 -175.595 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' THR . . . . . 0.421 ' HA ' ' HG2' ' B' ' 46' ' ' MET . 27.3 p -108.68 -1.57 19.35 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.201 0.524 . . . . 0.0 110.695 175.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -156.6 177.54 11.36 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.846 -0.615 . . . . 0.0 109.82 -177.164 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.468 HG22 ' O ' ' A' ' 59' ' ' ILE . 3.3 mp -122.12 38.86 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-O 122.257 1.027 . . . . 0.0 110.087 179.435 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 54.3 tttp 173.79 118.72 0.09 OUTLIER Pre-proline 0 C--N 1.319 -0.761 0 CA-C-N 114.304 -1.317 . . . . 0.0 110.427 177.114 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 3.0 Cg_exo -76.82 135.3 15.7 Favored 'Trans proline' 0 N--CA 1.457 -0.639 0 C-N-CA 122.34 2.027 . . . . 0.0 110.689 169.212 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.41 ' HB2' HD23 ' A' ' 65' ' ' LEU . 14.7 m -60.93 142.26 56.54 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.217 0.532 . . . . 0.0 110.659 -179.382 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 87.4 mt -58.24 -30.37 66.49 Favored 'General case' 0 C--O 1.224 -0.289 0 CA-C-N 115.069 -0.969 . . . . 0.0 112.773 -170.581 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -58.11 -44.76 94.6 Favored Glycine 0 C--O 1.239 0.435 0 C-N-CA 120.295 -0.955 . . . . 0.0 111.428 177.555 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.41 HD23 ' HB2' ' A' ' 62' ' ' SER . 2.9 mm? -66.76 -40.5 88.27 Favored 'General case' 0 C--O 1.219 -0.506 0 N-CA-C 109.76 -0.459 . . . . 0.0 109.76 177.395 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.434 ' O ' ' HB3' ' A' ' 69' ' ' TRP . 41.6 mm -62.0 -42.89 96.58 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.349 0 CA-C-O 121.122 0.487 . . . . 0.0 111.247 179.44 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 21.4 m-80 -61.61 -39.4 91.1 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.894 -0.593 . . . . 0.0 111.401 179.579 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 55.8 ttt180 -83.9 -23.77 31.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.292 0.568 . . . . 0.0 110.254 179.456 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' TRP . . . . . 0.543 ' NE1' HD11 ' B' ' 95' ' ' ILE . 36.3 t90 -58.57 -46.98 85.75 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.282 -0.872 . . . . 0.0 110.582 176.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -68.86 -11.9 63.89 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.842 -0.694 . . . . 0.0 112.598 178.132 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 23.7 t -86.64 -19.34 29.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.748 0.308 . . . . 0.0 110.321 179.101 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 28.3 t -66.42 135.34 28.64 Favored 'Isoleucine or valine' 0 C--O 1.235 0.325 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 173.963 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -80.55 151.96 33.23 Favored Glycine 0 N--CA 1.447 -0.632 0 C-N-CA 120.511 -0.852 . . . . 0.0 111.731 179.419 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.544 ' O ' ' HG3' ' A' ' 78' ' ' MET . 0.0 OUTLIER -62.94 -44.96 94.64 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.732 0.266 . . . . 0.0 111.145 -177.508 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 57.8 tptt -60.38 -48.05 83.43 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.133 0.492 . . . . 0.0 110.125 179.625 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.53 ' HG2' HD12 ' A' ' 44' ' ' ILE . 9.7 tp10 -59.01 -50.32 74.55 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.221 -0.899 . . . . 0.0 110.416 178.272 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.533 ' O ' HG12 ' A' ' 81' ' ' ILE . . . -58.84 -41.82 87.83 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.911 -179.733 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 78' ' ' MET . . . . . 0.544 ' HG3' ' O ' ' A' ' 74' ' ' LYS . 65.9 mtt -54.06 -49.35 69.19 Favored 'General case' 0 CA--C 1.518 -0.259 0 O-C-N 123.08 0.237 . . . . 0.0 110.688 178.223 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.43 ' O ' ' HG2' ' A' ' 83' ' ' LYS . 47.2 mt-10 -65.09 -41.9 94.57 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.896 -177.916 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.491 HD11 HH11 ' A' ' 45' ' ' ARG . 75.6 mt -62.94 -46.49 96.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.498 177.746 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.533 HG12 ' O ' ' A' ' 77' ' ' ALA . 37.9 mm -62.64 -37.13 78.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.105 -179.495 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 82' ' ' LYS . . . . . 0.535 ' HG3' ' O ' ' A' ' 78' ' ' MET . 68.6 mttm -61.64 -43.49 98.75 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.882 0.372 . . . . 0.0 110.581 176.85 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.43 ' HG2' ' O ' ' A' ' 79' ' ' GLU . 75.3 mmtt -70.58 -33.11 70.72 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.18 178.619 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 84' ' ' PHE . . . . . 0.521 ' O ' ' HG ' ' A' ' 88' ' ' LEU . 1.7 t80 -65.38 -51.86 57.52 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.516 -0.765 . . . . 0.0 109.962 178.803 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -59.89 -35.46 74.88 Favored 'General case' 0 C--O 1.233 0.19 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.558 177.921 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 61.7 tttp -63.38 -46.79 84.85 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.726 -0.67 . . . . 0.0 111.087 178.577 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -67.81 -34.35 76.58 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 109.816 -0.439 . . . . 0.0 109.816 -178.641 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.521 ' HG ' ' O ' ' A' ' 84' ' ' PHE . 91.5 mt -62.05 -44.04 97.55 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 115.784 -0.643 . . . . 0.0 110.317 175.127 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -64.2 -37.5 87.69 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.684 178.503 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 90' ' ' ALA . . . . . 0.66 ' O ' HG13 ' A' ' 94' ' ' ILE . . . -68.3 -51.47 44.47 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.92 178.864 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 91' ' ' MET . . . . . 0.59 ' O ' HG12 ' A' ' 95' ' ' ILE . 23.4 ptp -60.85 -38.0 84.0 Favored 'General case' 0 N--CA 1.462 0.169 0 CA-C-O 120.465 0.174 . . . . 0.0 110.619 -178.781 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.416 HD21 ' HG2' ' B' ' 78' ' ' MET . 17.7 tp -60.42 -46.52 89.71 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-O 121.503 0.668 . . . . 0.0 110.47 175.247 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 93' ' ' ARG . . . . . 0.427 ' C ' ' HD3' ' A' ' 93' ' ' ARG . 3.6 tmt_? -57.89 -37.57 74.22 Favored 'General case' 0 N--CA 1.444 -0.764 0 CA-C-N 115.287 -0.869 . . . . 0.0 110.198 177.841 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 0.66 HG13 ' O ' ' A' ' 90' ' ' ALA . 17.1 mt -76.02 -25.96 17.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.729 179.071 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.59 HG12 ' O ' ' A' ' 91' ' ' MET . 29.8 mm -56.97 -42.36 78.83 Favored 'Isoleucine or valine' 0 C--O 1.237 0.423 0 N-CA-C 109.341 -0.615 . . . . 0.0 109.341 172.369 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 96' ' ' ASN . . . . . 0.402 ' HA ' ' HE2' ' B' ' 74' ' ' LYS . 35.2 t30 -64.42 -43.26 94.93 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.313 -0.858 . . . . 0.0 110.153 174.626 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -66.95 -20.84 65.96 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.313 179.151 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 98' ' ' ARG . . . . . 0.403 ' HG2' ' O ' ' A' ' 94' ' ' ILE . 22.6 mmm180 -95.89 30.12 2.49 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.305 0.574 . . . . 0.0 109.975 174.87 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -145.89 -56.07 0.29 Allowed 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 108.619 -0.882 . . . . 0.0 108.619 175.589 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 58.52 22.64 9.89 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-N 115.193 -0.912 . . . . 0.0 111.366 177.203 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 28.3 mtpp 65.56 161.63 0.14 Allowed 'General case' 0 C--O 1.233 0.206 0 CA-C-N 115.571 -0.74 . . . . 0.0 111.799 -178.465 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 35.6 mtmm 71.28 41.19 0.79 Allowed 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.35 -0.841 . . . . 0.0 110.353 175.601 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 32.5 tpt180 -84.21 -21.63 31.15 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.388 -179.478 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 78.7 mtp180 . . . . . 0 C--O 1.25 1.083 0 CA-C-O 118.742 -0.647 . . . . 0.0 110.548 -179.988 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.047 0 CA-C-O 120.874 0.369 . . . . 0.0 110.573 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 36' ' ' GLY . . . . . . . . . . . . . . . -59.64 -38.93 94.47 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 121.147 -0.549 . . . . 0.0 113.511 -174.071 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 10.6 mp -71.04 -19.55 62.48 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 120.741 0.305 . . . . 0.0 111.522 -177.083 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 10.1 mp -95.43 -35.39 11.74 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.91 0.386 . . . . 0.0 110.71 -178.366 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -92.7 -6.47 49.12 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.312 -178.467 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . 73.73 34.04 57.07 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 121.03 -0.605 . . . . 0.0 112.209 177.958 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 41' ' ' HIS . . . . . . . . . . . . . 31.7 m170 -132.31 173.68 11.01 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 110.107 -0.331 . . . . 0.0 110.107 -176.673 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 42' ' ' GLY . . . . . . . . . . . . . . . -123.56 89.2 0.4 Allowed Glycine 0 N--CA 1.442 -0.952 0 N-CA-C 111.077 -0.809 . . . . 0.0 111.077 174.946 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 43' ' ' PRO . . . . . 0.531 ' HD2' ' SD ' ' B' ' 46' ' ' MET . 31.6 Cg_exo -60.22 161.45 19.7 Favored 'Trans proline' 0 C--N 1.345 0.344 0 C-N-CA 122.852 2.368 . . . . 0.0 111.662 178.277 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 44' ' ' ILE . . . . . 0.52 HD12 ' HG2' ' B' ' 76' ' ' GLU . 11.4 pt -55.69 -26.14 19.54 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.268 0 N-CA-C 113.398 0.888 . . . . 0.0 113.398 -169.178 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 45' ' ' ARG . . . . . 0.49 HH11 HD11 ' B' ' 80' ' ' ILE . 3.4 mpt_? -61.94 -50.3 72.71 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-O 121.478 0.656 . . . . 0.0 109.523 172.575 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 46' ' ' MET . . . . . 0.531 ' SD ' ' HD2' ' B' ' 43' ' ' PRO . 80.6 mtp -70.6 -29.32 65.7 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.008 -0.997 . . . . 0.0 110.994 -179.368 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 47' ' ' VAL . . . . . . . . . . . . . 97.5 t -62.44 -46.1 97.22 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.117 0 CA-C-O 120.755 0.312 . . . . 0.0 110.46 179.018 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 80.0 mt -68.94 -35.14 76.45 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.778 177.742 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -65.91 -48.85 70.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.391 179.109 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 50' ' ' ILE . . . . . 0.412 ' O ' ' HB3' ' B' ' 53' ' ' PHE . 15.1 tt -71.34 -25.23 24.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 120.865 0.364 . . . . 0.0 110.409 -179.683 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 51' ' ' LEU . . . . . 0.556 HD23 ' SD ' ' A' ' 91' ' ' MET . 11.9 tp -62.41 -55.81 24.23 Favored 'General case' 0 N--CA 1.452 -0.372 0 N-CA-C 109.628 -0.508 . . . . 0.0 109.628 176.113 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -57.42 -37.78 73.33 Favored 'General case' 0 C--O 1.233 0.205 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.579 178.155 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 53' ' ' PHE . . . . . 0.412 ' HB3' ' O ' ' B' ' 50' ' ' ILE . 91.5 t80 -54.08 -55.96 22.56 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.62 -0.718 . . . . 0.0 109.726 173.819 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 54' ' ' LEU . . . . . . . . . . . . . 81.1 mt -69.98 -9.76 56.29 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.852 -178.707 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 55' ' ' ARG . . . . . 0.554 ' HG2' ' O ' ' B' ' 51' ' ' LEU . 27.7 mmm180 -85.73 -36.9 19.89 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.741 0.305 . . . . 0.0 111.162 177.361 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 56' ' ' PHE . . . . . 0.446 ' CZ ' ' HA ' ' A' ' 84' ' ' PHE . 66.5 m-85 -107.31 -11.12 15.63 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.349 -0.387 . . . . 0.0 112.041 -175.821 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 57' ' ' THR . . . . . 0.454 ' HA ' ' HG2' ' A' ' 46' ' ' MET . 27.2 p -108.3 -1.95 19.65 Favored 'General case' 0 C--N 1.325 -0.462 0 C-N-CA 120.456 -0.498 . . . . 0.0 110.591 176.041 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -156.38 177.61 11.26 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.909 -0.587 . . . . 0.0 109.844 -177.088 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 59' ' ' ILE . . . . . 0.471 ' O ' HG22 ' B' ' 59' ' ' ILE . 3.2 mp -122.56 39.66 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-O 122.076 0.941 . . . . 0.0 109.987 179.498 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 54.4 tttp 173.45 118.98 0.09 OUTLIER Pre-proline 0 C--N 1.319 -0.73 0 CA-C-N 114.348 -1.297 . . . . 0.0 110.266 176.448 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 61' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_exo -76.76 135.42 15.93 Favored 'Trans proline' 0 N--CA 1.457 -0.644 0 C-N-CA 122.348 2.032 . . . . 0.0 110.672 168.757 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 62' ' ' SER . . . . . 0.405 ' HB2' HD23 ' B' ' 65' ' ' LEU . 14.6 m -61.01 142.05 56.9 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.217 0.532 . . . . 0.0 110.651 -179.529 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 87.5 mt -58.08 -30.5 66.27 Favored 'General case' 0 CA--C 1.517 -0.302 0 CA-C-N 115.119 -0.946 . . . . 0.0 112.69 -170.625 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -57.74 -45.13 93.76 Favored Glycine 0 C--O 1.238 0.388 0 C-N-CA 120.216 -0.992 . . . . 0.0 111.654 177.175 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 65' ' ' LEU . . . . . 0.415 ' H ' HD22 ' B' ' 65' ' ' LEU . 2.9 mm? -66.59 -40.62 88.98 Favored 'General case' 0 C--O 1.219 -0.525 0 N-CA-C 109.73 -0.47 . . . . 0.0 109.73 177.446 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 66' ' ' ILE . . . . . 0.428 ' O ' ' HB3' ' B' ' 69' ' ' TRP . 41.6 mm -61.83 -42.87 96.21 Favored 'Isoleucine or valine' 0 C--O 1.234 0.27 0 CA-C-O 121.11 0.481 . . . . 0.0 111.201 179.421 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 67' ' ' ASN . . . . . . . . . . . . . 21.6 m-80 -61.72 -39.01 90.0 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.487 179.495 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 68' ' ' ARG . . . . . . . . . . . . . 55.5 ttt180 -84.27 -23.67 30.25 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.357 0.599 . . . . 0.0 110.277 179.257 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 69' ' ' TRP . . . . . 0.522 ' NE1' HD11 ' A' ' 95' ' ' ILE . 36.3 t90 -58.53 -46.9 85.83 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.258 -0.883 . . . . 0.0 110.6 177.1 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . -69.48 -11.26 64.74 Favored Glycine 0 N--CA 1.45 -0.417 0 C-N-CA 120.94 -0.648 . . . . 0.0 112.587 178.208 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 71' ' ' SER . . . . . . . . . . . . . 24.8 t -86.63 -20.03 28.44 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 110.143 -0.318 . . . . 0.0 110.143 178.619 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 72' ' ' VAL . . . . . . . . . . . . . 27.9 t -65.94 135.42 28.43 Favored 'Isoleucine or valine' 0 C--O 1.236 0.354 0 N-CA-C 109.26 -0.644 . . . . 0.0 109.26 174.231 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 73' ' ' GLY . . . . . . . . . . . . . . . -80.56 151.84 33.05 Favored Glycine 0 N--CA 1.445 -0.71 0 C-N-CA 120.593 -0.813 . . . . 0.0 111.726 179.39 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 74' ' ' LYS . . . . . 0.531 ' O ' ' HG3' ' B' ' 78' ' ' MET . 0.0 OUTLIER -63.17 -44.87 94.22 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.657 0.228 . . . . 0.0 111.077 -177.441 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 75' ' ' LYS . . . . . . . . . . . . . 57.7 tptt -60.49 -47.59 85.47 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.166 0.508 . . . . 0.0 110.161 179.59 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 76' ' ' GLU . . . . . 0.52 ' HG2' HD12 ' B' ' 44' ' ' ILE . 9.8 tp10 -59.59 -50.06 75.35 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.201 -0.909 . . . . 0.0 110.443 178.345 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 77' ' ' ALA . . . . . 0.534 ' O ' HG12 ' B' ' 81' ' ' ILE . . . -58.95 -41.75 88.16 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.954 -179.849 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 78' ' ' MET . . . . . 0.536 ' O ' ' HG3' ' B' ' 82' ' ' LYS . 65.7 mtt -54.14 -49.25 69.65 Favored 'General case' 0 CA--C 1.518 -0.269 0 CA-C-O 120.725 0.298 . . . . 0.0 110.681 178.259 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 79' ' ' GLU . . . . . 0.435 ' O ' ' HG2' ' B' ' 83' ' ' LYS . 47.9 mt-10 -65.2 -41.89 94.08 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.908 -177.902 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 80' ' ' ILE . . . . . 0.49 HD11 HH11 ' B' ' 45' ' ' ARG . 75.8 mt -62.97 -46.53 96.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.402 177.638 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 81' ' ' ILE . . . . . 0.534 HG12 ' O ' ' B' ' 77' ' ' ALA . 38.6 mm -62.58 -36.87 77.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.253 -179.549 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 82' ' ' LYS . . . . . 0.536 ' HG3' ' O ' ' B' ' 78' ' ' MET . 68.6 mttm -61.86 -43.46 98.8 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.874 0.368 . . . . 0.0 110.533 176.819 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 83' ' ' LYS . . . . . 0.435 ' HG2' ' O ' ' B' ' 79' ' ' GLU . 75.3 mmtt -70.66 -33.24 70.74 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.139 0.495 . . . . 0.0 110.045 178.714 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 84' ' ' PHE . . . . . 0.529 ' O ' ' HG ' ' B' ' 88' ' ' LEU . 1.7 t80 -65.2 -51.76 58.98 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.536 -0.756 . . . . 0.0 110.067 178.885 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 85' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -59.77 -35.56 74.88 Favored 'General case' 0 C--O 1.232 0.176 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.544 177.821 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 86' ' ' LYS . . . . . . . . . . . . . 61.2 tttp -63.32 -47.42 82.3 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.914 178.771 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 87' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -67.22 -33.99 76.53 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.284 -0.416 . . . . 0.0 109.992 -178.607 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 88' ' ' LEU . . . . . 0.529 ' HG ' ' O ' ' B' ' 84' ' ' PHE . 91.9 mt -62.4 -44.1 97.24 Favored 'General case' 0 C--N 1.333 -0.127 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.214 175.107 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -64.38 -37.27 86.93 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.625 178.619 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 90' ' ' ALA . . . . . 0.682 ' O ' HG13 ' B' ' 94' ' ' ILE . . . -68.54 -50.89 48.49 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.805 -0.634 . . . . 0.0 111.006 178.752 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 91' ' ' MET . . . . . 0.583 ' O ' HG12 ' B' ' 95' ' ' ILE . 23.3 ptp -61.49 -37.92 85.42 Favored 'General case' 0 N--CA 1.462 0.168 0 C-N-CA 121.24 -0.184 . . . . 0.0 110.54 -178.665 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 92' ' ' LEU . . . . . . . . . . . . . 17.5 tp -60.27 -46.53 89.52 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-O 121.409 0.623 . . . . 0.0 110.432 175.186 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 93' ' ' ARG . . . . . 0.446 ' HD3' ' O ' ' B' ' 93' ' ' ARG . 3.6 tmt_? -57.93 -37.49 74.17 Favored 'General case' 0 N--CA 1.444 -0.742 0 CA-C-N 115.315 -0.857 . . . . 0.0 110.164 177.889 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 94' ' ' ILE . . . . . 0.682 HG13 ' O ' ' B' ' 90' ' ' ALA . 17.5 mt -76.0 -26.17 17.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.697 179.054 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 95' ' ' ILE . . . . . 0.583 HG12 ' O ' ' B' ' 91' ' ' MET . 29.7 mm -56.81 -42.55 77.98 Favored 'Isoleucine or valine' 0 C--O 1.237 0.419 0 CA-C-O 121.429 0.633 . . . . 0.0 109.35 172.542 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 96' ' ' ASN . . . . . . . . . . . . . 34.2 t30 -64.37 -43.21 95.24 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.186 -0.915 . . . . 0.0 110.138 174.746 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 97' ' ' ALA . . . . . . . . . . . . . . . -67.19 -20.34 65.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.318 179.037 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 98' ' ' ARG . . . . . 0.403 ' HG2' ' O ' ' B' ' 94' ' ' ILE . 22.7 mmm180 -96.0 29.46 2.74 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.216 0.531 . . . . 0.0 110.006 174.794 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 99' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -145.54 -55.79 0.3 Allowed 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 108.757 -0.831 . . . . 0.0 108.757 175.895 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 100' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 58.67 21.99 9.42 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-N 115.182 -0.917 . . . . 0.0 111.359 176.807 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 101' ' ' LYS . . . . . . . . . . . . . 28.3 mtpp 66.24 161.95 0.15 Allowed 'General case' 0 C--O 1.233 0.208 0 CA-C-N 115.54 -0.754 . . . . 0.0 111.689 -178.276 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 102' ' ' LYS . . . . . . . . . . . . . 35.7 mtmm 71.23 40.86 0.82 Allowed 'General case' 0 N--CA 1.465 0.306 0 CA-C-N 115.294 -0.866 . . . . 0.0 110.38 175.384 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 103' ' ' ARG . . . . . . . . . . . . . 32.6 tpt180 -83.99 -21.82 31.58 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.725 -0.67 . . . . 0.0 110.262 -179.23 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 104' ' ' ARG . . . . . . . . . . . . . 78.9 mtp180 . . . . . 0 C--O 1.251 1.143 0 CA-C-O 118.857 -0.592 . . . . 0.0 110.439 179.972 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 0.972 0 CA-C-O 120.874 0.369 . . . . 0.0 110.582 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -60.44 -36.88 92.24 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 121.16 -0.543 . . . . 0.0 112.846 -177.515 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 9.4 mp -71.23 -20.63 62.22 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 120.71 0.291 . . . . 0.0 111.394 -177.718 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 53.0 tp -94.57 -39.39 10.4 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.906 0.384 . . . . 0.0 110.823 -177.131 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -91.91 -8.17 47.12 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.754 -176.085 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 80.09 39.05 17.13 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.045 179.705 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 28.3 m-70 -122.69 81.73 1.89 Allowed 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 120.874 0.369 . . . . 0.0 110.33 -178.629 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -91.24 130.85 10.49 Favored Glycine 0 N--CA 1.446 -0.647 0 C-N-CA 120.66 -0.781 . . . . 0.0 112.325 -179.334 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.674 ' HD2' ' SD ' ' A' ' 46' ' ' MET . 39.3 Cg_endo -67.79 170.25 14.44 Favored 'Trans proline' 0 C--O 1.232 0.218 0 C-N-CA 122.693 2.262 . . . . 0.0 112.108 176.553 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 24.4 pt -52.02 -40.79 30.13 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.358 0 N-CA-C 113.047 0.758 . . . . 0.0 113.047 -171.708 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 17.6 ptt180 -59.76 -46.68 88.41 Favored 'General case' 0 C--O 1.232 0.173 0 CA-C-O 121.163 0.506 . . . . 0.0 110.962 178.933 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' MET . . . . . 0.674 ' SD ' ' HD2' ' A' ' 43' ' ' PRO . 59.3 mtt -65.1 -32.46 74.17 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.621 -0.718 . . . . 0.0 111.222 178.62 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.451 HG23 ' O ' ' A' ' 43' ' ' PRO . 97.6 t -58.05 -48.75 83.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.721 0.296 . . . . 0.0 110.533 177.897 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 86.6 mt -63.52 -37.12 86.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.788 178.395 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -65.97 -47.55 74.21 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.251 178.127 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.532 HG13 ' O ' ' A' ' 46' ' ' MET . 70.0 mt -64.74 -31.58 54.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.337 179.342 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.468 HD22 ' NE1' ' A' ' 69' ' ' TRP . 13.2 tp -60.87 -55.75 29.37 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.179 176.867 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -58.17 -40.35 81.23 Favored 'General case' 0 CA--C 1.52 -0.188 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.318 178.272 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 91.6 t80 -54.1 -57.07 12.48 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.42 -0.809 . . . . 0.0 109.919 174.325 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.41 HD13 ' H ' ' A' ' 62' ' ' SER . 96.8 mt -70.36 -5.21 26.53 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 112.101 0.408 . . . . 0.0 112.101 -177.913 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.416 ' HG2' ' O ' ' A' ' 51' ' ' LEU . 32.8 mmt180 -89.87 -46.48 8.53 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.955 0.407 . . . . 0.0 111.265 174.241 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 76.8 m-85 -93.29 -14.19 27.28 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.685 -175.646 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' THR . . . . . 0.557 ' HA ' ' HG2' ' B' ' 46' ' ' MET . 17.0 p -112.36 -12.66 13.52 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 120.515 -0.474 . . . . 0.0 111.469 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -139.32 164.18 30.52 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 120.936 0.398 . . . . 0.0 110.893 -174.242 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 66.5 mt -91.02 -25.88 5.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-O 121.763 0.792 . . . . 0.0 110.942 -175.852 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 85.6 tttt -145.62 121.55 5.83 Favored Pre-proline 0 C--N 1.305 -1.353 0 CA-C-N 114.786 -1.097 . . . . 0.0 110.952 -178.598 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 15.3 Cg_exo -69.9 139.32 39.47 Favored 'Trans proline' 0 C--O 1.235 0.34 0 C-N-CA 122.481 2.121 . . . . 0.0 111.363 172.864 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.41 ' H ' HD13 ' A' ' 54' ' ' LEU . 29.4 t -64.81 143.34 58.01 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.148 0.499 . . . . 0.0 110.54 -179.046 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 86.0 mt -66.77 -16.35 64.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.447 -0.797 . . . . 0.0 111.889 -172.681 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -66.27 -43.6 92.55 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.584 -0.817 . . . . 0.0 111.44 174.662 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -69.3 -38.55 78.33 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 109.648 -0.501 . . . . 0.0 109.648 176.754 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 48.9 mm -62.03 -38.46 80.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.772 177.719 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 56.1 t30 -66.27 -40.3 90.03 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.806 179.307 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 24.0 ttm180 -86.39 -10.29 54.62 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.208 0.527 . . . . 0.0 110.287 -177.191 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' TRP . . . . . 0.55 ' NE1' HD11 ' B' ' 95' ' ' ILE . 12.3 t90 -60.98 -49.42 77.51 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.316 -0.856 . . . . 0.0 110.613 -179.762 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -77.68 -6.48 86.95 Favored Glycine 0 C--N 1.329 0.188 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.131 178.15 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 32.2 t -81.75 -21.68 37.72 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 109.325 -0.62 . . . . 0.0 109.325 176.579 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 60.6 t -64.9 127.33 25.59 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.355 0 CA-C-N 115.79 -0.641 . . . . 0.0 109.372 175.318 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -63.05 121.45 24.74 Favored Glycine 0 N--CA 1.444 -0.789 0 C-N-CA 120.429 -0.891 . . . . 0.0 111.078 177.708 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.562 ' O ' ' HG3' ' A' ' 78' ' ' MET . 2.0 ptpp? -58.92 -27.03 64.89 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.708 0.254 . . . . 0.0 111.382 -176.3 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.514 ' HD3' ' C ' ' A' ' 75' ' ' LYS . 8.0 tmtm? -63.96 -60.65 2.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.445 0.64 . . . . 0.0 109.428 173.363 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 7.0 tp10 -53.9 -39.36 65.7 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 114.749 -1.114 . . . . 0.0 110.866 176.487 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.528 ' O ' HG12 ' A' ' 81' ' ' ILE . . . -56.35 -44.23 79.87 Favored 'General case' 0 N--CA 1.453 -0.3 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.663 177.954 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 78' ' ' MET . . . . . 0.562 ' HG3' ' O ' ' A' ' 74' ' ' LYS . 62.7 mtt -58.43 -45.19 88.96 Favored 'General case' 0 CA--C 1.519 -0.238 0 N-CA-C 110.144 -0.317 . . . . 0.0 110.144 177.013 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 23.9 mm-40 -59.09 -49.39 78.07 Favored 'General case' 0 C--O 1.236 0.393 0 CA-C-O 121.429 0.633 . . . . 0.0 110.492 179.644 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 80.3 mt -63.06 -48.37 88.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 115.2 -0.909 . . . . 0.0 111.122 -179.218 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.528 HG12 ' O ' ' A' ' 77' ' ' ALA . 37.1 mm -60.33 -38.08 76.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.523 -0.308 . . . . 0.0 111.282 -177.857 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 82' ' ' LYS . . . . . 0.561 ' HG3' ' O ' ' A' ' 78' ' ' MET . 68.5 mttm -62.54 -45.36 93.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.776 0.322 . . . . 0.0 110.737 178.078 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 74.7 mmtt -72.27 -29.85 64.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.636 179.055 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 84' ' ' PHE . . . . . 0.508 ' O ' ' HG ' ' A' ' 88' ' ' LEU . 0.9 OUTLIER -63.94 -52.39 60.0 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.828 -0.624 . . . . 0.0 109.693 177.759 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -61.39 -35.85 78.65 Favored 'General case' 0 C--O 1.232 0.175 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.647 177.854 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 24.1 tptm -61.77 -46.32 90.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.67 178.367 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 87' ' ' ASP . . . . . 0.578 ' O ' ' HG3' ' A' ' 91' ' ' MET . 6.7 t70 -70.65 -35.35 72.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.259 -178.652 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.508 ' HG ' ' O ' ' A' ' 84' ' ' PHE . 91.4 mt -60.22 -43.33 96.11 Favored 'General case' 0 N--CA 1.463 0.217 0 CA-C-O 121.092 0.472 . . . . 0.0 110.538 176.328 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -63.26 -35.86 81.73 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.683 -0.69 . . . . 0.0 110.269 177.78 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 90' ' ' ALA . . . . . 0.463 ' O ' HG13 ' A' ' 94' ' ' ILE . . . -69.58 -41.11 76.24 Favored 'General case' 0 N--CA 1.45 -0.429 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.414 176.404 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 91' ' ' MET . . . . . 0.661 ' O ' HG12 ' A' ' 95' ' ' ILE . 67.4 mtt -53.38 -56.63 15.15 Favored 'General case' 0 CA--C 1.516 -0.336 0 N-CA-C 110.012 -0.366 . . . . 0.0 110.012 177.672 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.484 HD21 ' HG2' ' B' ' 78' ' ' MET . 47.4 tp -53.43 -48.07 69.07 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.347 -0.842 . . . . 0.0 111.264 179.422 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 43.1 ttt180 -57.29 -38.59 74.2 Favored 'General case' 0 N--CA 1.448 -0.562 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.919 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 0.623 ' O ' ' HG2' ' A' ' 98' ' ' ARG . 75.7 mt -76.59 -31.92 20.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.053 179.19 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.661 HG12 ' O ' ' A' ' 91' ' ' MET . 29.5 mm -58.89 -36.74 63.02 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.27 0 CA-C-O 121.252 0.548 . . . . 0.0 109.803 176.092 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 33.3 m-80 -71.02 -39.7 72.22 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.532 175.407 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -59.61 -38.45 81.31 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.446 0.641 . . . . 0.0 110.355 177.255 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 98' ' ' ARG . . . . . 0.623 ' HG2' ' O ' ' A' ' 94' ' ' ILE . 12.7 ptm180 -108.53 51.54 0.74 Allowed 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 115.238 -0.892 . . . . 0.0 108.611 178.462 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 99' ' ' LYS . . . . . 0.558 ' CB ' ' HE2' ' B' ' 74' ' ' LYS . 52.4 pttt -53.22 -28.66 28.25 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 114.387 -1.279 . . . . 0.0 111.087 179.559 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 32.2 mm-40 43.71 35.27 1.0 Allowed 'General case' 0 N--CA 1.465 0.275 0 CA-C-N 113.471 -1.695 . . . . 0.0 113.131 174.621 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -63.32 -61.75 2.14 Favored 'General case' 0 N--CA 1.453 -0.301 0 N-CA-C 109.364 -0.606 . . . . 0.0 109.364 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 102' ' ' LYS . . . . . 0.463 ' O ' ' HB2' ' A' ' 103' ' ' ARG . 47.0 mtmt 49.28 67.4 0.89 Allowed 'General case' 0 C--O 1.234 0.258 0 CA-C-N 115.608 -0.724 . . . . 0.0 111.136 175.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 103' ' ' ARG . . . . . 0.463 ' HB2' ' O ' ' A' ' 102' ' ' LYS . 27.9 mmm180 77.26 -40.65 0.35 Allowed 'General case' 0 N--CA 1.467 0.425 0 CA-C-N 115.314 -0.857 . . . . 0.0 112.811 178.941 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 38.2 ttm180 . . . . . 0 C--O 1.246 0.91 0 CA-C-O 118.295 -0.859 . . . . 0.0 111.033 -176.832 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.134 0 CA-C-O 120.863 0.363 . . . . 0.0 110.634 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 36' ' ' GLY . . . . . . . . . . . . . . . -60.35 -37.35 92.98 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 121.137 -0.554 . . . . 0.0 112.831 -177.463 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 9.3 mp -70.75 -20.7 62.61 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 120.708 0.289 . . . . 0.0 111.493 -177.675 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 52.9 tp -94.77 -38.95 10.53 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.945 0.402 . . . . 0.0 110.845 -176.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -92.41 -7.83 46.55 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.768 -176.244 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . 79.6 39.38 18.1 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.14 179.686 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 41' ' ' HIS . . . . . . . . . . . . . 28.6 m-70 -123.02 81.84 1.92 Allowed 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 120.835 0.35 . . . . 0.0 110.344 -178.579 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 42' ' ' GLY . . . . . . . . . . . . . . . -91.37 130.7 10.42 Favored Glycine 0 N--CA 1.445 -0.731 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.233 -179.143 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 43' ' ' PRO . . . . . 0.665 ' HD2' ' SD ' ' B' ' 46' ' ' MET . 39.7 Cg_endo -67.73 170.13 14.6 Favored 'Trans proline' 0 C--O 1.233 0.258 0 C-N-CA 122.673 2.248 . . . . 0.0 112.032 176.614 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 44' ' ' ILE . . . . . 0.407 ' HB ' HG13 ' B' ' 72' ' ' VAL . 23.8 pt -51.87 -40.77 28.73 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.403 0 N-CA-C 113.085 0.772 . . . . 0.0 113.085 -171.59 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 17.8 ptt180 -59.8 -46.78 88.15 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-O 121.195 0.522 . . . . 0.0 110.922 178.963 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 46' ' ' MET . . . . . 0.665 ' SD ' ' HD2' ' B' ' 43' ' ' PRO . 59.0 mtt -65.09 -32.36 74.03 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.629 -0.714 . . . . 0.0 111.151 178.694 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 47' ' ' VAL . . . . . 0.44 HG23 ' O ' ' B' ' 43' ' ' PRO . 97.3 t -57.99 -48.82 83.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.74 0.305 . . . . 0.0 110.554 177.91 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 86.2 mt -63.41 -37.35 86.95 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.716 178.484 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -65.77 -47.59 74.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.224 178.25 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 50' ' ' ILE . . . . . 0.536 HG13 ' O ' ' B' ' 46' ' ' MET . 69.7 mt -64.78 -31.57 54.37 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.309 179.323 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 51' ' ' LEU . . . . . 0.464 HD22 ' NE1' ' B' ' 69' ' ' TRP . 13.1 tp -60.9 -55.69 30.03 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.257 176.813 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -58.1 -40.36 80.98 Favored 'General case' 0 CA--C 1.52 -0.208 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.377 178.204 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 53' ' ' PHE . . . . . . . . . . . . . 92.0 t80 -54.08 -56.96 13.13 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.331 -0.85 . . . . 0.0 109.968 174.284 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 54' ' ' LEU . . . . . 0.404 HD13 ' H ' ' B' ' 62' ' ' SER . 97.2 mt -70.55 -4.99 25.77 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 112.05 0.389 . . . . 0.0 112.05 -177.913 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 55' ' ' ARG . . . . . 0.41 ' HG2' ' O ' ' B' ' 51' ' ' LEU . 33.0 mmt180 -90.12 -46.32 8.54 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.97 0.414 . . . . 0.0 111.298 174.333 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 56' ' ' PHE . . . . . . . . . . . . . 77.0 m-85 -93.32 -14.32 27.08 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.735 -175.815 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 57' ' ' THR . . . . . 0.562 ' HA ' ' HG2' ' A' ' 46' ' ' MET . 16.6 p -112.42 -12.27 13.54 Favored 'General case' 0 C--N 1.33 -0.283 0 C-N-CA 120.505 -0.478 . . . . 0.0 111.498 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -139.48 164.79 28.95 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 120.868 0.366 . . . . 0.0 110.688 -174.394 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 59' ' ' ILE . . . . . . . . . . . . . 67.1 mt -91.87 -25.41 5.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-O 121.667 0.746 . . . . 0.0 110.967 -175.782 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 85.6 tttt -145.98 121.66 5.68 Favored Pre-proline 0 C--N 1.307 -1.27 0 CA-C-N 114.717 -1.128 . . . . 0.0 110.898 -178.851 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 61' ' ' PRO . . . . . . . . . . . . . 15.1 Cg_exo -69.89 139.27 39.36 Favored 'Trans proline' 0 N--CA 1.463 -0.31 0 C-N-CA 122.607 2.205 . . . . 0.0 111.441 172.716 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 62' ' ' SER . . . . . 0.404 ' H ' HD13 ' B' ' 54' ' ' LEU . 31.5 t -64.93 143.2 58.11 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.159 0.504 . . . . 0.0 110.57 -179.076 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 86.4 mt -66.46 -16.4 64.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.383 -0.826 . . . . 0.0 111.94 -172.776 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -66.37 -43.59 92.35 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.486 -0.864 . . . . 0.0 111.327 174.858 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -69.12 -38.77 79.05 Favored 'General case' 0 N--CA 1.452 -0.33 0 N-CA-C 109.659 -0.497 . . . . 0.0 109.659 176.78 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 66' ' ' ILE . . . . . . . . . . . . . 49.0 mm -61.81 -38.59 80.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.647 177.652 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 67' ' ' ASN . . . . . . . . . . . . . 56.2 t30 -66.22 -40.18 90.13 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.037 -0.528 . . . . 0.0 110.799 179.459 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 68' ' ' ARG . . . . . . . . . . . . . 23.9 ttm180 -86.51 -10.28 54.43 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.255 0.55 . . . . 0.0 110.358 -177.179 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 69' ' ' TRP . . . . . 0.519 ' NE1' HD11 ' A' ' 95' ' ' ILE . 12.3 t90 -61.01 -49.5 77.16 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.265 -0.88 . . . . 0.0 110.573 -179.745 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . -77.31 -7.19 86.9 Favored Glycine 0 C--N 1.33 0.195 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.021 178.345 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 71' ' ' SER . . . . . . . . . . . . . 31.8 t -81.34 -21.76 38.92 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 109.37 -0.604 . . . . 0.0 109.37 176.95 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 72' ' ' VAL . . . . . 0.407 HG13 ' HB ' ' B' ' 44' ' ' ILE . 59.9 t -64.9 127.34 25.59 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.356 0 CA-C-N 115.842 -0.617 . . . . 0.0 109.408 175.34 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 73' ' ' GLY . . . . . . . . . . . . . . . -63.02 121.41 24.67 Favored Glycine 0 N--CA 1.446 -0.699 0 C-N-CA 120.336 -0.935 . . . . 0.0 111.024 177.831 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 74' ' ' LYS . . . . . 0.575 ' O ' ' HG3' ' B' ' 78' ' ' MET . 2.0 ptpp? -58.87 -26.84 64.61 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.624 0.212 . . . . 0.0 111.436 -176.495 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 75' ' ' LYS . . . . . 0.531 ' C ' ' HD3' ' B' ' 75' ' ' LYS . 8.0 tmtm? -64.36 -60.64 2.93 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 173.515 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 76' ' ' GLU . . . . . 0.401 ' O ' HG13 ' B' ' 80' ' ' ILE . 7.0 tp10 -53.62 -39.38 64.9 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 114.815 -1.084 . . . . 0.0 110.984 176.333 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 77' ' ' ALA . . . . . 0.515 ' O ' HG12 ' B' ' 81' ' ' ILE . . . -56.37 -44.4 80.11 Favored 'General case' 0 N--CA 1.454 -0.261 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.616 177.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 78' ' ' MET . . . . . 0.575 ' HG3' ' O ' ' B' ' 74' ' ' LYS . 62.9 mtt -58.39 -45.17 88.86 Favored 'General case' 0 CA--C 1.518 -0.251 0 N-CA-C 110.091 -0.337 . . . . 0.0 110.091 177.072 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 79' ' ' GLU . . . . . . . . . . . . . 22.9 mm-40 -58.98 -49.36 78.18 Favored 'General case' 0 C--O 1.236 0.367 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.494 179.616 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 80' ' ' ILE . . . . . 0.401 HG13 ' O ' ' B' ' 76' ' ' GLU . 80.4 mt -63.26 -48.31 88.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 115.207 -0.906 . . . . 0.0 111.049 -179.153 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 81' ' ' ILE . . . . . 0.515 HG12 ' O ' ' B' ' 77' ' ' ALA . 37.1 mm -60.26 -38.24 76.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.554 -0.294 . . . . 0.0 111.297 -177.925 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 82' ' ' LYS . . . . . 0.565 ' HG3' ' O ' ' B' ' 78' ' ' MET . 68.5 mttm -62.28 -45.94 91.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.75 0.31 . . . . 0.0 110.645 177.869 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 83' ' ' LYS . . . . . . . . . . . . . 74.7 mmtt -71.83 -29.82 64.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.339 -0.392 . . . . 0.0 110.695 179.3 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 84' ' ' PHE . . . . . 0.509 ' O ' ' HG ' ' B' ' 88' ' ' LEU . 0.9 OUTLIER -63.98 -52.56 59.07 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.899 -0.591 . . . . 0.0 109.58 177.711 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 85' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -61.34 -35.85 78.56 Favored 'General case' 0 C--O 1.233 0.234 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.578 178.032 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 86' ' ' LYS . . . . . . . . . . . . . 24.1 tptm -61.9 -45.81 92.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.656 178.36 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 87' ' ' ASP . . . . . 0.574 ' O ' ' HG3' ' B' ' 91' ' ' MET . 6.7 t70 -70.99 -35.38 72.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.269 -178.791 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 88' ' ' LEU . . . . . 0.509 ' HG ' ' O ' ' B' ' 84' ' ' PHE . 90.8 mt -60.31 -43.18 96.56 Favored 'General case' 0 N--CA 1.463 0.201 0 CA-C-O 121.167 0.508 . . . . 0.0 110.502 176.51 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -63.51 -35.53 80.76 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.408 177.697 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 90' ' ' ALA . . . . . 0.473 ' O ' HG13 ' B' ' 94' ' ' ILE . . . -69.71 -41.42 75.38 Favored 'General case' 0 N--CA 1.451 -0.402 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.317 176.409 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 91' ' ' MET . . . . . 0.658 ' O ' HG12 ' B' ' 95' ' ' ILE . 67.4 mtt -53.05 -56.79 13.51 Favored 'General case' 0 CA--C 1.516 -0.328 0 CA-C-N 116.295 -0.411 . . . . 0.0 109.993 177.717 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 92' ' ' LEU . . . . . 0.44 HD21 ' HG2' ' A' ' 78' ' ' MET . 47.6 tp -53.38 -48.0 69.0 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.332 -0.849 . . . . 0.0 111.248 179.465 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 93' ' ' ARG . . . . . 0.402 HH11 ' HD3' ' B' ' 93' ' ' ARG . 43.0 ttt180 -57.63 -38.32 74.82 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.826 -179.848 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 94' ' ' ILE . . . . . 0.636 ' O ' ' HG2' ' B' ' 98' ' ' ARG . 75.8 mt -76.57 -31.96 20.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 116.002 -0.544 . . . . 0.0 111.038 179.065 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 95' ' ' ILE . . . . . 0.658 HG12 ' O ' ' B' ' 91' ' ' MET . 30.2 mm -58.86 -36.67 62.44 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.301 0 CA-C-O 121.198 0.523 . . . . 0.0 109.715 176.054 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 96' ' ' ASN . . . . . . . . . . . . . 34.2 m-80 -71.46 -39.0 71.24 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.601 175.568 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 97' ' ' ALA . . . . . . . . . . . . . . . -59.94 -38.47 82.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.306 0.574 . . . . 0.0 110.413 177.014 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 98' ' ' ARG . . . . . 0.636 ' HG2' ' O ' ' B' ' 94' ' ' ILE . 12.7 ptm180 -108.77 51.29 0.75 Allowed 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 108.605 -0.887 . . . . 0.0 108.605 178.596 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 99' ' ' LYS . . . . . 0.501 ' CB ' ' HE2' ' A' ' 74' ' ' LYS . 52.5 pttt -52.93 -28.9 25.64 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 114.39 -1.277 . . . . 0.0 111.072 179.455 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 100' ' ' GLU . . . . . . . . . . . . . 34.4 mm-40 44.05 35.02 1.06 Allowed 'General case' 0 N--CA 1.464 0.263 0 CA-C-N 113.5 -1.682 . . . . 0.0 113.073 174.517 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 101' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -63.35 -61.51 2.3 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 109.347 -0.612 . . . . 0.0 109.347 -179.798 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 102' ' ' LYS . . . . . 0.478 ' O ' ' HB2' ' B' ' 103' ' ' ARG . 46.8 mtmt 49.09 67.37 0.89 Allowed 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.458 -0.792 . . . . 0.0 111.057 176.094 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 103' ' ' ARG . . . . . 0.478 ' HB2' ' O ' ' B' ' 102' ' ' LYS . 27.9 mmm180 77.79 -40.92 0.33 Allowed 'General case' 0 N--CA 1.47 0.535 0 CA-C-N 115.422 -0.808 . . . . 0.0 112.71 178.726 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 104' ' ' ARG . . . . . . . . . . . . . 38.1 ttm180 . . . . . 0 C--O 1.245 0.827 0 CA-C-O 118.298 -0.858 . . . . 0.0 111.121 -177.003 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.076 0 CA-C-O 120.74 0.305 . . . . 0.0 110.41 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -58.91 -27.61 62.3 Favored Glycine 0 C--N 1.33 0.233 0 CA-C-N 116.177 -0.465 . . . . 0.0 113.051 -176.141 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.441 HD21 ' CB ' ' B' ' 57' ' ' THR . 10.6 mp -63.43 -34.51 77.9 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 120.675 0.274 . . . . 0.0 111.132 178.917 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 87.9 mt -86.76 -31.85 20.7 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.963 0.411 . . . . 0.0 110.599 -176.718 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -80.19 -16.9 53.8 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.868 178.13 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 81.28 19.76 66.07 Favored Glycine 0 N--CA 1.45 -0.419 0 C-N-CA 120.943 -0.646 . . . . 0.0 111.555 -179.313 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 7.8 t60 -116.31 65.87 0.71 Allowed 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 109.562 -0.533 . . . . 0.0 109.562 -176.722 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -115.07 152.23 18.18 Favored Glycine 0 N--CA 1.446 -0.688 0 C-N-CA 120.624 -0.798 . . . . 0.0 112.024 -178.443 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.446 ' HD2' ' SD ' ' A' ' 46' ' ' MET . 28.5 Cg_endo -63.6 157.33 51.92 Favored 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.74 2.293 . . . . 0.0 111.605 178.027 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.421 ' HA ' ' CG2' ' A' ' 47' ' ' VAL . 10.5 pt -57.86 -27.08 29.87 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 115.114 -0.948 . . . . 0.0 113.295 -170.536 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.442 ' HA ' HD13 ' A' ' 80' ' ' ILE . 9.9 ptt180 -65.28 -44.93 86.43 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.146 0.498 . . . . 0.0 110.426 174.09 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' MET . . . . . 0.569 ' O ' HG13 ' A' ' 50' ' ' ILE . 64.2 mtt -66.4 -31.19 71.8 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.747 176.411 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.421 ' CG2' ' HA ' ' A' ' 44' ' ' ILE . 91.4 t -57.61 -49.61 79.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.804 0.335 . . . . 0.0 110.422 177.329 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 11.2 mp -67.36 -30.67 70.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.033 177.807 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -65.13 -48.38 73.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.803 0.335 . . . . 0.0 110.853 176.761 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.569 HG13 ' O ' ' A' ' 46' ' ' MET . 53.8 mt -66.36 -35.79 75.79 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.141 -0.481 . . . . 0.0 109.96 178.257 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 11.7 tp -59.21 -54.31 48.31 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.668 -0.696 . . . . 0.0 110.718 177.243 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.426 ' O ' ' HD1' ' A' ' 56' ' ' PHE . . . -60.08 -43.6 95.39 Favored 'General case' 0 CA--C 1.518 -0.278 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.224 178.936 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.42 ' HB2' ' HB2' ' B' ' 53' ' ' PHE . 36.7 t80 -48.78 -64.26 0.85 Allowed 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.497 -0.774 . . . . 0.0 110.726 175.509 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.419 ' CD1' ' HA ' ' A' ' 61' ' ' PRO . 93.2 mt -58.94 -42.4 89.72 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.598 -177.042 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 24.7 mmt180 -65.68 -49.66 67.77 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 112.204 0.446 . . . . 0.0 112.204 -178.274 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' PHE . . . . . 0.471 ' CZ ' ' HA ' ' B' ' 84' ' ' PHE . 76.5 m-85 -76.67 -7.07 54.57 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.741 0.305 . . . . 0.0 111.257 -177.696 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 57' ' ' THR . . . . . 0.473 ' HA ' ' HG2' ' B' ' 46' ' ' MET . 77.3 p -105.42 9.62 33.6 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.018 0.437 . . . . 0.0 110.816 174.026 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . 60.9 34.91 19.41 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-N 115.486 -0.779 . . . . 0.0 112.399 175.908 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 58.3 mt -109.94 145.0 17.05 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 N-CA-C 109.385 -0.598 . . . . 0.0 109.385 172.707 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -59.49 126.26 81.89 Favored Pre-proline 0 N--CA 1.453 -0.297 0 N-CA-C 109.218 -0.66 . . . . 0.0 109.218 174.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' PRO . . . . . 0.508 ' O ' ' HB2' ' A' ' 65' ' ' LEU . 43.0 Cg_endo -66.9 -2.61 8.08 Favored 'Trans proline' 0 CA--C 1.529 0.242 0 C-N-CA 122.808 2.339 . . . . 0.0 113.816 -173.369 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.5 ' O ' HG12 ' A' ' 66' ' ' ILE . 43.0 t 70.95 142.72 0.05 Allowed 'General case' 0 N--CA 1.463 0.178 0 CA-C-O 121.724 0.773 . . . . 0.0 111.451 177.655 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 87.3 mt -67.59 -18.21 64.91 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.331 -0.849 . . . . 0.0 110.955 -178.682 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -70.0 -48.68 38.9 Favored Glycine 0 N--CA 1.449 -0.446 0 C-N-CA 120.865 -0.683 . . . . 0.0 111.884 177.092 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.508 ' HB2' ' O ' ' A' ' 61' ' ' PRO . 4.2 mm? -65.76 -37.83 87.4 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 110.053 -0.351 . . . . 0.0 110.053 177.904 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.5 HG12 ' O ' ' A' ' 62' ' ' SER . 50.0 mm -64.95 -33.96 67.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.616 177.647 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 10.7 t30 -65.17 -39.64 93.21 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.756 178.255 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.504 ' O ' HG23 ' A' ' 72' ' ' VAL . 54.1 mtt180 -82.51 -22.71 34.95 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.503 178.186 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 69' ' ' TRP . . . . . 0.532 ' NE1' HD11 ' B' ' 95' ' ' ILE . 10.5 t90 -56.43 -52.07 66.04 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.468 -0.787 . . . . 0.0 111.105 -178.446 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -76.53 -10.88 85.59 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.858 -0.687 . . . . 0.0 112.475 177.64 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 43.0 t -82.75 -22.17 34.44 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.739 0.304 . . . . 0.0 110.251 179.017 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.504 HG23 ' O ' ' A' ' 68' ' ' ARG . 48.6 t -61.71 136.42 25.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.063 177.783 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -57.42 130.83 51.57 Favored Glycine 0 N--CA 1.443 -0.849 0 N-CA-C 110.591 -1.003 . . . . 0.0 110.591 174.965 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.536 ' HE2' ' HA ' ' B' ' 99' ' ' LYS . 30.6 mmtm -66.82 -28.23 68.2 Favored 'General case' 0 C--N 1.319 -0.724 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 -173.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 58.2 tptt -73.34 -47.92 38.53 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.15 -0.932 . . . . 0.0 109.977 172.912 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.466 ' O ' HG13 ' A' ' 80' ' ' ILE . 19.1 tp10 -59.84 -41.35 91.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.353 -0.839 . . . . 0.0 110.588 -179.198 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.407 ' O ' HG12 ' A' ' 81' ' ' ILE . . . -56.51 -42.23 78.03 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.782 179.233 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 66.1 mtt -62.8 -39.6 94.77 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.181 178.615 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 -68.92 -40.58 78.98 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.695 179.074 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.466 HG13 ' O ' ' A' ' 76' ' ' GLU . 87.8 mt -62.07 -47.68 92.02 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.504 177.61 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.467 HG13 ' HB2' ' B' ' 92' ' ' LEU . 43.9 mm -64.09 -38.53 82.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.178 -179.555 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 82' ' ' LYS . . . . . 0.402 ' HD2' ' C ' ' A' ' 82' ' ' LYS . 2.6 tmmm? -61.18 -49.49 76.96 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 109.44 -0.578 . . . . 0.0 109.44 177.135 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -64.42 -36.87 85.58 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.46 -0.791 . . . . 0.0 110.586 179.626 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 84' ' ' PHE . . . . . 0.541 ' O ' ' HG ' ' A' ' 88' ' ' LEU . 1.6 t80 -60.53 -53.01 62.68 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.045 178.563 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -61.24 -37.34 82.73 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.053 179.717 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 26.6 tttm -57.45 -57.47 12.51 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.896 178.343 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 87' ' ' ASP . . . . . 0.583 ' O ' ' HG2' ' A' ' 91' ' ' MET . 0.6 OUTLIER -66.78 -30.11 70.23 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.854 -0.612 . . . . 0.0 111.289 -177.565 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.541 ' HG ' ' O ' ' A' ' 84' ' ' PHE . 62.4 mt -60.93 -43.32 98.81 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.817 0.342 . . . . 0.0 110.339 174.95 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -63.47 -37.2 86.38 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.657 179.243 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 90' ' ' ALA . . . . . 0.554 ' O ' HG13 ' A' ' 94' ' ' ILE . . . -65.89 -49.97 66.18 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.751 177.825 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 91' ' ' MET . . . . . 0.583 ' HG2' ' O ' ' A' ' 87' ' ' ASP . 93.8 mmm -60.82 -37.95 83.74 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.356 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.444 ' HB2' HG13 ' B' ' 81' ' ' ILE . 54.6 tp -59.81 -45.46 92.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.684 -0.689 . . . . 0.0 111.089 177.523 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 72.3 ttt180 -64.59 -30.28 71.3 Favored 'General case' 0 N--CA 1.443 -0.779 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.555 -178.338 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 0.554 HG13 ' O ' ' A' ' 90' ' ' ALA . 22.1 mt -71.18 -35.47 58.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 C-N-CA 121.01 -0.276 . . . . 0.0 110.445 176.345 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.55 HD11 ' NE1' ' B' ' 69' ' ' TRP . 13.4 mm -53.88 -48.55 62.51 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.343 0 CA-C-O 121.508 0.67 . . . . 0.0 109.335 173.589 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 64.4 t30 -74.36 -23.26 58.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.317 -0.856 . . . . 0.0 111.211 -177.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -66.72 -38.15 86.14 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.319 0.581 . . . . 0.0 109.898 175.184 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 98' ' ' ARG . . . . . 0.513 ' HG2' ' O ' ' A' ' 94' ' ' ILE . 15.0 ptm180 -100.54 41.73 1.16 Allowed 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.378 -0.828 . . . . 0.0 109.435 177.662 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 99' ' ' LYS . . . . . 0.513 ' HA ' ' HE2' ' B' ' 74' ' ' LYS . 21.1 pttp -61.83 -29.02 69.89 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-N 115.05 -0.977 . . . . 0.0 111.649 -178.295 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 100' ' ' GLU . . . . . 0.421 ' HB3' ' O ' ' A' ' 99' ' ' LYS . 36.3 tt0 70.79 -57.28 0.6 Allowed 'General case' 0 N--CA 1.468 0.426 0 O-C-N 124.064 0.852 . . . . 0.0 110.269 -175.388 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 49.2 tptt 49.99 46.52 24.34 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.736 0.779 . . . . 0.0 110.95 178.753 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 46.5 mmtm -101.73 -1.83 31.6 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.409 -0.814 . . . . 0.0 108.992 173.225 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 29.8 mmt180 -109.72 -174.05 2.4 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 114.827 -1.079 . . . . 0.0 108.858 174.068 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 104' ' ' ARG . . . . . 0.514 ' HA ' ' NE ' ' A' ' 104' ' ' ARG . 4.1 mmp_? . . . . . 0 C--O 1.25 1.099 0 CA-C-O 118.348 -0.834 . . . . 0.0 110.58 -179.494 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.08 0 CA-C-O 120.734 0.302 . . . . 0.0 110.589 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 36' ' ' GLY . . . . . . . . . . . . . . . -58.51 -27.41 60.99 Favored Glycine 0 C--O 1.228 -0.269 0 CA-C-N 116.206 -0.452 . . . . 0.0 113.149 -176.155 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 37' ' ' LEU . . . . . 0.425 HD21 ' CB ' ' A' ' 57' ' ' THR . 10.6 mp -63.55 -34.75 78.49 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.614 0.245 . . . . 0.0 111.138 178.827 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 87.8 mt -86.53 -31.94 20.99 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.961 0.41 . . . . 0.0 110.614 -176.784 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -80.14 -16.63 54.48 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.805 178.157 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . 81.02 19.54 67.09 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.922 -0.656 . . . . 0.0 111.586 -179.384 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 41' ' ' HIS . . . . . . . . . . . . . 7.8 t60 -116.07 66.29 0.71 Allowed 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 109.523 -0.547 . . . . 0.0 109.523 -176.882 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 42' ' ' GLY . . . . . . . . . . . . . . . -115.39 152.16 18.17 Favored Glycine 0 N--CA 1.446 -0.697 0 C-N-CA 120.662 -0.78 . . . . 0.0 112.042 -178.551 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 43' ' ' PRO . . . . . 0.441 ' HD2' ' SD ' ' B' ' 46' ' ' MET . 28.5 Cg_endo -63.38 157.25 51.47 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.779 2.319 . . . . 0.0 111.681 177.83 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 44' ' ' ILE . . . . . 0.422 ' HA ' ' CG2' ' B' ' 47' ' ' VAL . 10.5 pt -57.91 -27.15 30.22 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 115.083 -0.962 . . . . 0.0 113.178 -170.502 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 45' ' ' ARG . . . . . 0.433 ' HA ' HD13 ' B' ' 80' ' ' ILE . 9.9 ptt180 -65.34 -44.84 86.45 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.121 0.486 . . . . 0.0 110.423 174.142 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 46' ' ' MET . . . . . 0.548 ' O ' HG13 ' B' ' 50' ' ' ILE . 64.4 mtt -66.36 -31.18 71.8 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.75 176.372 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 47' ' ' VAL . . . . . 0.422 ' CG2' ' HA ' ' B' ' 44' ' ' ILE . 93.2 t -57.67 -49.66 79.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.692 0.282 . . . . 0.0 110.421 177.443 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 11.2 mp -67.25 -30.75 70.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.067 177.791 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -65.17 -48.33 73.88 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.529 -0.305 . . . . 0.0 110.821 176.848 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 50' ' ' ILE . . . . . 0.548 HG13 ' O ' ' B' ' 46' ' ' MET . 53.9 mt -66.23 -35.9 76.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-O 121.104 0.478 . . . . 0.0 110.037 178.099 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 11.7 tp -59.15 -54.38 47.57 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.724 177.208 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 52' ' ' ALA . . . . . 0.42 ' O ' ' HD1' ' B' ' 56' ' ' PHE . . . -60.06 -43.58 95.31 Favored 'General case' 0 CA--C 1.518 -0.28 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.26 178.93 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 53' ' ' PHE . . . . . 0.42 ' HB2' ' HB2' ' A' ' 53' ' ' PHE . 36.6 t80 -48.79 -64.39 0.82 Allowed 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.39 -0.823 . . . . 0.0 110.692 175.57 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 54' ' ' LEU . . . . . 0.425 ' CD1' ' HA ' ' B' ' 61' ' ' PRO . 93.5 mt -58.77 -42.51 89.15 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.565 -177.106 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 55' ' ' ARG . . . . . 0.402 ' HD3' ' HA ' ' B' ' 55' ' ' ARG . 24.8 mmt180 -65.7 -49.08 69.84 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 112.395 0.516 . . . . 0.0 112.395 -178.169 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 56' ' ' PHE . . . . . 0.432 ' CZ ' ' HA ' ' A' ' 84' ' ' PHE . 76.3 m-85 -77.17 -6.84 54.49 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.778 0.323 . . . . 0.0 111.305 -177.939 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 57' ' ' THR . . . . . 0.461 ' HA ' ' HG2' ' A' ' 46' ' ' MET . 77.9 p -105.86 9.76 32.72 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.05 0.452 . . . . 0.0 110.88 174.033 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . 61.06 34.85 19.03 Favored 'General case' 0 C--O 1.236 0.367 0 CA-C-N 115.414 -0.812 . . . . 0.0 112.403 175.776 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 59' ' ' ILE . . . . . . . . . . . . . 57.4 mt -110.24 144.39 18.43 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 N-CA-C 109.543 -0.54 . . . . 0.0 109.543 172.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -59.3 126.09 80.91 Favored Pre-proline 0 C--N 1.33 -0.278 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 175.257 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 61' ' ' PRO . . . . . 0.515 ' O ' ' HB2' ' B' ' 65' ' ' LEU . 42.4 Cg_endo -66.83 -2.62 8.02 Favored 'Trans proline' 0 CA--C 1.529 0.246 0 C-N-CA 122.854 2.369 . . . . 0.0 113.857 -173.036 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 62' ' ' SER . . . . . 0.483 ' O ' HG12 ' B' ' 66' ' ' ILE . 44.7 t 71.19 142.09 0.05 Allowed 'General case' 0 N--CA 1.463 0.212 0 CA-C-O 121.658 0.742 . . . . 0.0 111.4 177.368 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 87.2 mt -67.23 -17.89 65.0 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.488 -0.778 . . . . 0.0 111.034 -178.778 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -70.12 -48.76 37.54 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.822 -0.704 . . . . 0.0 111.772 176.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 65' ' ' LEU . . . . . 0.515 ' HB2' ' O ' ' B' ' 61' ' ' PRO . 4.2 mm? -65.71 -37.95 87.85 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 110.081 -0.34 . . . . 0.0 110.081 177.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 66' ' ' ILE . . . . . 0.483 HG12 ' O ' ' B' ' 62' ' ' SER . 50.0 mm -64.84 -33.96 67.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-O 121.169 0.509 . . . . 0.0 110.757 177.602 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 67' ' ' ASN . . . . . . . . . . . . . 10.7 t30 -65.0 -39.73 93.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.769 178.115 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 68' ' ' ARG . . . . . 0.501 ' O ' HG23 ' B' ' 72' ' ' VAL . 54.6 mtt-85 -82.65 -22.67 34.57 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.459 178.398 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 69' ' ' TRP . . . . . 0.55 ' NE1' HD11 ' A' ' 95' ' ' ILE . 10.6 t90 -56.42 -52.36 64.94 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.431 -0.804 . . . . 0.0 111.067 -178.526 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . -76.09 -11.18 85.03 Favored Glycine 0 N--CA 1.45 -0.411 0 C-N-CA 120.862 -0.685 . . . . 0.0 112.5 177.558 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 71' ' ' SER . . . . . . . . . . . . . 43.9 t -82.65 -21.81 34.87 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.671 0.272 . . . . 0.0 110.271 179.039 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 72' ' ' VAL . . . . . 0.501 HG23 ' O ' ' B' ' 68' ' ' ARG . 48.4 t -61.95 136.32 25.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.018 177.715 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 73' ' ' GLY . . . . . . . . . . . . . . . -57.39 131.17 51.92 Favored Glycine 0 N--CA 1.444 -0.811 0 N-CA-C 110.585 -1.006 . . . . 0.0 110.585 174.912 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 74' ' ' LYS . . . . . 0.513 ' HE2' ' HA ' ' A' ' 99' ' ' LYS . 30.7 mmtm -67.13 -27.77 67.59 Favored 'General case' 0 C--N 1.32 -0.711 0 N-CA-C 109.387 -0.597 . . . . 0.0 109.387 -173.914 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 75' ' ' LYS . . . . . . . . . . . . . 58.2 tptt -73.92 -48.07 33.28 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.17 -0.923 . . . . 0.0 109.822 173.127 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 76' ' ' GLU . . . . . 0.487 ' O ' HG13 ' B' ' 80' ' ' ILE . 19.6 tp10 -59.68 -41.15 90.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.314 -0.857 . . . . 0.0 110.652 -179.378 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 77' ' ' ALA . . . . . 0.411 ' O ' HG12 ' B' ' 81' ' ' ILE . . . -56.6 -42.06 78.07 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.774 179.109 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 78' ' ' MET . . . . . . . . . . . . . 66.1 mtt -63.02 -39.65 95.39 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.279 178.73 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 79' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 -68.65 -41.05 79.9 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.665 178.869 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 80' ' ' ILE . . . . . 0.487 HG13 ' O ' ' B' ' 76' ' ' GLU . 87.5 mt -61.6 -47.77 91.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.556 177.506 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 81' ' ' ILE . . . . . 0.444 HG13 ' HB2' ' A' ' 92' ' ' LEU . 44.0 mm -64.22 -38.21 81.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.149 -179.519 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 82' ' ' LYS . . . . . 0.4 ' C ' ' HD2' ' B' ' 82' ' ' LYS . 2.6 tmmm? -61.56 -49.51 76.37 Favored 'General case' 0 C--O 1.234 0.242 0 N-CA-C 109.382 -0.599 . . . . 0.0 109.382 177.256 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 83' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -64.11 -37.01 85.91 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.492 -0.776 . . . . 0.0 110.583 179.514 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 84' ' ' PHE . . . . . 0.525 ' O ' ' HG ' ' B' ' 88' ' ' LEU . 1.6 t80 -60.5 -53.15 61.06 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.064 178.649 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 85' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -61.09 -37.5 82.94 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.913 179.762 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 86' ' ' LYS . . . . . . . . . . . . . 26.7 tttm -57.32 -57.58 11.99 Favored 'General case' 0 C--O 1.236 0.347 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.978 178.358 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 87' ' ' ASP . . . . . 0.587 ' O ' ' HG2' ' B' ' 91' ' ' MET . 0.6 OUTLIER -66.64 -30.25 70.48 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.193 -177.495 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 88' ' ' LEU . . . . . 0.525 ' HG ' ' O ' ' B' ' 84' ' ' PHE . 62.8 mt -60.84 -43.41 98.33 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.94 0.4 . . . . 0.0 110.395 175.008 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -63.3 -36.99 85.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.73 179.203 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 90' ' ' ALA . . . . . 0.557 ' O ' HG13 ' B' ' 94' ' ' ILE . . . -66.35 -49.68 66.13 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.741 178.124 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 91' ' ' MET . . . . . 0.587 ' HG2' ' O ' ' B' ' 87' ' ' ASP . 94.2 mmm -61.01 -37.94 84.31 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.311 179.796 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 92' ' ' LEU . . . . . 0.467 ' HB2' HG13 ' A' ' 81' ' ' ILE . 54.7 tp -59.88 -45.29 92.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.697 -0.683 . . . . 0.0 111.128 177.505 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 93' ' ' ARG . . . . . . . . . . . . . 72.3 ttt180 -64.5 -30.5 71.53 Favored 'General case' 0 N--CA 1.442 -0.86 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.58 -178.468 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 94' ' ' ILE . . . . . 0.557 HG13 ' O ' ' B' ' 90' ' ' ALA . 22.3 mt -71.13 -35.5 58.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.584 -0.28 . . . . 0.0 110.396 176.52 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 95' ' ' ILE . . . . . 0.532 HD11 ' NE1' ' A' ' 69' ' ' TRP . 13.5 mm -53.84 -48.64 61.87 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.266 0 CA-C-O 121.53 0.681 . . . . 0.0 109.36 173.687 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 96' ' ' ASN . . . . . . . . . . . . . 64.0 t30 -74.63 -22.45 58.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.25 -0.886 . . . . 0.0 111.143 -177.963 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 97' ' ' ALA . . . . . . . . . . . . . . . -67.45 -37.61 83.22 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.347 0.594 . . . . 0.0 109.983 175.19 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 98' ' ' ARG . . . . . 0.52 ' HG2' ' O ' ' B' ' 94' ' ' ILE . 15.0 ptm180 -100.87 41.83 1.16 Allowed 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.198 -0.91 . . . . 0.0 109.353 177.429 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 99' ' ' LYS . . . . . 0.536 ' HA ' ' HE2' ' A' ' 74' ' ' LYS . 21.1 pttp -61.89 -28.98 69.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.169 -0.923 . . . . 0.0 111.707 -178.222 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 100' ' ' GLU . . . . . 0.426 ' HB3' ' O ' ' B' ' 99' ' ' LYS . 37.3 tt0 70.85 -57.83 0.58 Allowed 'General case' 0 N--CA 1.466 0.368 0 O-C-N 124.001 0.813 . . . . 0.0 110.197 -175.286 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 101' ' ' LYS . . . . . . . . . . . . . 49.2 tptt 50.01 46.37 24.5 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-O 121.699 0.761 . . . . 0.0 111.059 178.804 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 102' ' ' LYS . . . . . . . . . . . . . 46.6 mmtm -101.64 -1.78 31.93 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.265 -0.88 . . . . 0.0 109.051 173.061 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 103' ' ' ARG . . . . . . . . . . . . . 28.8 mmt180 -109.77 -174.2 2.44 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 114.734 -1.121 . . . . 0.0 108.861 173.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 104' ' ' ARG . . . . . 0.531 ' NE ' ' HA ' ' B' ' 104' ' ' ARG . 4.1 mmp_? . . . . . 0 C--O 1.249 1.026 0 CA-C-O 118.169 -0.92 . . . . 0.0 110.391 -179.642 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . 0.746 ' HA3' ' SD ' ' A' ' 46' ' ' MET . . . . . . . . 0 N--CA 1.45 -0.391 0 N-CA-C 111.803 -0.519 . . . . 0.0 111.803 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.436 ' O ' HG23 ' A' ' 47' ' ' VAL . 62.8 Cg_endo -74.24 -176.19 2.57 Favored 'Trans proline' 0 N--CA 1.462 -0.325 0 C-N-CA 122.239 1.959 . . . . 0.0 112.145 178.143 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 19.2 pt -57.29 -28.78 31.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-O 120.821 0.343 . . . . 0.0 111.763 -178.349 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . 0.506 ' HA ' HD13 ' A' ' 80' ' ' ILE . 97.0 mtt180 -62.45 -43.46 98.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.091 0.472 . . . . 0.0 110.653 176.635 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . 0.746 ' SD ' ' HA3' ' A' ' 42' ' ' GLY . 54.5 mtt -73.79 -28.2 61.52 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.712 178.798 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.436 HG23 ' O ' ' A' ' 43' ' ' PRO . 86.0 t -58.55 -48.97 84.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.765 0.317 . . . . 0.0 110.434 176.573 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 62.0 mt -65.99 -35.49 80.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.679 178.427 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -60.95 -47.53 86.02 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.009 176.008 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.559 HG13 ' O ' ' A' ' 46' ' ' MET . 66.4 mt -65.32 -33.83 66.34 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.177 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.156 178.375 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.546 ' O ' ' HG2' ' A' ' 55' ' ' ARG . 14.4 tp -62.31 -52.71 62.57 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.423 178.162 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.54 -38.6 81.47 Favored 'General case' 0 CA--C 1.518 -0.277 0 CA-C-O 120.873 0.368 . . . . 0.0 110.456 178.882 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.451 ' HB3' ' O ' ' A' ' 50' ' ' ILE . 75.2 t80 -52.34 -57.67 9.06 Favored 'General case' 0 N--CA 1.451 -0.414 0 CA-C-N 115.631 -0.713 . . . . 0.0 109.27 172.817 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.445 HD13 ' H ' ' A' ' 62' ' ' SER . 93.2 mt -69.53 -6.57 31.67 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.111 -0.495 . . . . 0.0 112.301 -178.608 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.546 ' HG2' ' O ' ' A' ' 51' ' ' LEU . 36.0 mmt180 -85.81 -42.57 14.05 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.925 0.393 . . . . 0.0 110.897 175.355 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 40.6 m-85 -100.82 -8.18 22.89 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.931 -176.345 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . 0.558 ' HA ' ' HG2' ' B' ' 46' ' ' MET . 43.7 p -107.34 -12.37 15.35 Favored 'General case' 0 C--N 1.327 -0.396 0 C-N-CA 120.566 -0.454 . . . . 0.0 110.993 174.862 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -146.26 170.15 17.33 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.979 -173.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 70.4 mt -105.04 -18.16 7.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-O 121.943 0.878 . . . . 0.0 110.338 -179.276 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 59.4 tptt -141.9 109.64 6.02 Favored Pre-proline 0 C--N 1.306 -1.292 0 CA-C-N 114.5 -1.227 . . . . 0.0 110.657 -178.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 17.1 Cg_exo -68.24 154.57 71.92 Favored 'Trans proline' 0 C--O 1.234 0.304 0 C-N-CA 122.665 2.243 . . . . 0.0 111.679 175.715 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . 0.445 ' H ' HD13 ' A' ' 54' ' ' LEU . 12.8 m -69.7 139.78 53.47 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.629 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 84.5 mt -63.46 -21.94 66.6 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.38 -0.827 . . . . 0.0 112.076 -173.088 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -62.68 -45.8 95.02 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.576 -0.821 . . . . 0.0 111.556 175.69 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -66.19 -39.58 89.81 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 109.713 -0.477 . . . . 0.0 109.713 176.79 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 50.4 mm -65.01 -34.07 68.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.044 179.681 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 8.7 t30 -73.35 -33.86 65.31 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.883 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 65.6 ttt180 -90.85 -8.46 49.48 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.386 0.613 . . . . 0.0 110.152 -179.229 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' TRP . . . . . 0.594 ' NE1' HD11 ' B' ' 95' ' ' ILE . 11.3 t90 -60.95 -47.9 84.31 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.144 -0.935 . . . . 0.0 110.892 -178.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -73.71 -5.05 67.79 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.832 -0.699 . . . . 0.0 112.421 178.492 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 33.4 t -89.24 -8.47 53.41 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.038 0.447 . . . . 0.0 109.906 179.091 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 70.0 t -72.08 127.26 33.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.092 -0.504 . . . . 0.0 109.873 176.368 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -62.83 119.41 17.32 Favored Glycine 0 N--CA 1.442 -0.96 0 N-CA-C 110.292 -1.123 . . . . 0.0 110.292 174.563 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.494 ' O ' ' HG3' ' A' ' 78' ' ' MET . 8.5 ptpp? -63.53 -23.41 67.38 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 120.584 0.231 . . . . 0.0 111.146 -172.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 21.6 tptm -66.01 -49.96 65.93 Favored 'General case' 0 C--N 1.331 -0.233 0 N-CA-C 109.654 -0.498 . . . . 0.0 109.654 173.102 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . 0.504 ' O ' HG13 ' A' ' 80' ' ' ILE . 18.5 tp10 -61.59 -40.63 95.45 Favored 'General case' 0 N--CA 1.453 -0.308 0 CA-C-N 115.648 -0.706 . . . . 0.0 109.442 176.605 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.423 ' O ' HG12 ' A' ' 81' ' ' ILE . . . -55.82 -45.42 78.34 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.824 177.377 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . 0.494 ' HG3' ' O ' ' A' ' 74' ' ' LYS . 66.5 mtt -57.56 -41.91 81.99 Favored 'General case' 0 C--O 1.236 0.364 0 CA-C-O 121.209 0.528 . . . . 0.0 110.481 177.578 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -69.02 -46.41 68.05 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.687 179.288 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.506 HD13 ' HA ' ' A' ' 45' ' ' ARG . 86.3 mt -58.26 -53.84 40.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.98 179.194 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.452 HG23 ' HB3' ' B' ' 88' ' ' LEU . 44.6 mm -58.42 -38.77 71.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.025 -178.046 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 3.6 ttmp? -61.11 -51.87 67.29 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.707 177.892 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 53.0 mtmt -69.23 -28.57 66.47 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.961 -179.114 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . 0.453 ' O ' ' HG ' ' A' ' 88' ' ' LEU . 0.9 OUTLIER -65.5 -49.72 67.95 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.878 -0.601 . . . . 0.0 109.729 178.498 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -62.4 -32.57 73.42 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.673 178.098 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 3.8 mmmp? -65.57 -42.66 91.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.896 176.793 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -67.05 -39.16 86.85 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 109.608 -0.516 . . . . 0.0 109.608 179.354 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.453 ' HG ' ' O ' ' A' ' 84' ' ' PHE . 97.0 mt -63.77 -40.69 97.3 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.93 177.422 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -62.85 -42.29 99.68 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.593 178.555 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . 0.543 ' O ' HG13 ' A' ' 94' ' ' ILE . . . -67.15 -43.32 82.6 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.094 176.231 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' MET . . . . . 0.58 ' O ' HG12 ' A' ' 95' ' ' ILE . 37.7 ttm -53.01 -54.58 33.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.394 177.876 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.423 ' HB2' HG13 ' B' ' 81' ' ' ILE . 63.9 tp -52.32 -50.78 61.56 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.485 -0.78 . . . . 0.0 111.082 178.131 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 79.7 ttt180 -56.52 -43.27 79.62 Favored 'General case' 0 N--CA 1.445 -0.701 0 CA-C-N 115.253 -0.885 . . . . 0.0 111.265 -178.404 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . 0.622 ' O ' ' HG2' ' A' ' 98' ' ' ARG . 52.3 mt -73.2 -35.26 46.8 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.487 0 CA-C-N 116.473 -0.33 . . . . 0.0 111.226 -178.026 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.618 HD11 ' NE1' ' B' ' 69' ' ' TRP . 25.2 mm -57.84 -42.91 83.25 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.338 0 CA-C-O 121.289 0.566 . . . . 0.0 109.575 175.023 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 94.6 m-20 -60.98 -38.83 87.36 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.334 -0.848 . . . . 0.0 110.518 176.799 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -80.29 -17.47 52.01 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.751 -178.479 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . 0.622 ' HG2' ' O ' ' A' ' 94' ' ' ILE . 3.7 mmp_? . . . . . 0 CA--C 1.519 -0.235 0 CA-C-O 121.103 0.478 . . . . 0.0 110.095 178.675 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 42' ' ' GLY . . . . . 0.739 ' HA3' ' SD ' ' B' ' 46' ' ' MET . . . . . . . . 0 N--CA 1.449 -0.459 0 N-CA-C 111.914 -0.474 . . . . 0.0 111.914 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 43' ' ' PRO . . . . . 0.448 ' O ' HG23 ' B' ' 47' ' ' VAL . 61.7 Cg_endo -74.37 -176.19 2.6 Favored 'Trans proline' 0 N--CA 1.461 -0.405 0 C-N-CA 122.268 1.979 . . . . 0.0 112.127 178.108 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 19.3 pt -57.38 -28.66 31.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-O 120.811 0.339 . . . . 0.0 111.785 -178.372 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 45' ' ' ARG . . . . . 0.511 ' HA ' HD13 ' B' ' 80' ' ' ILE . 96.8 mtt180 -62.52 -43.42 98.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.139 0.495 . . . . 0.0 110.614 176.643 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 46' ' ' MET . . . . . 0.739 ' SD ' ' HA3' ' B' ' 42' ' ' GLY . 55.1 mtt -73.74 -28.37 61.65 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.738 178.838 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 47' ' ' VAL . . . . . 0.448 HG23 ' O ' ' B' ' 43' ' ' PRO . 86.9 t -58.37 -49.07 83.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.733 0.301 . . . . 0.0 110.454 176.587 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 61.9 mt -65.8 -35.59 81.12 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.693 178.395 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -60.91 -47.74 85.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.976 175.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 50' ' ' ILE . . . . . 0.538 HG13 ' O ' ' B' ' 46' ' ' MET . 66.0 mt -65.07 -33.89 66.84 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.262 178.209 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 51' ' ' LEU . . . . . 0.554 ' O ' ' HG2' ' B' ' 55' ' ' ARG . 14.4 tp -62.31 -52.58 63.12 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.485 178.188 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.68 -38.69 82.24 Favored 'General case' 0 CA--C 1.518 -0.261 0 CA-C-O 120.895 0.379 . . . . 0.0 110.41 178.897 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 53' ' ' PHE . . . . . 0.451 ' HB3' ' O ' ' B' ' 50' ' ' ILE . 75.5 t80 -52.16 -57.64 9.01 Favored 'General case' 0 N--CA 1.451 -0.389 0 CA-C-N 115.591 -0.731 . . . . 0.0 109.319 172.686 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 54' ' ' LEU . . . . . 0.432 HD13 ' H ' ' B' ' 62' ' ' SER . 94.2 mt -69.6 -6.74 33.13 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.104 -0.498 . . . . 0.0 112.213 -178.439 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 55' ' ' ARG . . . . . 0.554 ' HG2' ' O ' ' B' ' 51' ' ' LEU . 36.3 mmt180 -85.57 -42.87 13.99 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.915 0.388 . . . . 0.0 110.928 175.534 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 56' ' ' PHE . . . . . . . . . . . . . 41.0 m-85 -100.39 -8.63 23.07 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 116.081 -0.508 . . . . 0.0 112.006 -176.383 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 57' ' ' THR . . . . . 0.535 ' HA ' ' HG2' ' A' ' 46' ' ' MET . 44.2 p -106.89 -12.48 15.46 Favored 'General case' 0 C--N 1.328 -0.347 0 C-N-CA 120.547 -0.461 . . . . 0.0 111.014 174.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -146.64 169.71 18.43 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.945 -173.766 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 59' ' ' ILE . . . . . . . . . . . . . 70.1 mt -104.37 -18.39 6.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-O 122.015 0.912 . . . . 0.0 110.482 -179.115 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 59.5 tptt -141.85 109.25 6.0 Favored Pre-proline 0 C--N 1.307 -1.263 0 CA-C-N 114.485 -1.234 . . . . 0.0 110.647 -178.622 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 61' ' ' PRO . . . . . . . . . . . . . 17.0 Cg_exo -67.94 154.06 73.75 Favored 'Trans proline' 0 C--O 1.233 0.248 0 C-N-CA 122.738 2.292 . . . . 0.0 111.772 175.703 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 62' ' ' SER . . . . . 0.432 ' H ' HD13 ' B' ' 54' ' ' LEU . 12.7 m -69.44 139.58 54.02 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.757 -179.746 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 84.8 mt -63.05 -21.96 66.52 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 115.413 -0.812 . . . . 0.0 112.242 -173.071 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -62.82 -45.52 95.54 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.656 -0.783 . . . . 0.0 111.607 175.837 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -66.39 -39.55 89.11 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 109.747 -0.464 . . . . 0.0 109.747 176.614 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 66' ' ' ILE . . . . . . . . . . . . . 50.4 mm -65.03 -34.32 69.76 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 115.805 -0.634 . . . . 0.0 111.023 179.643 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 67' ' ' ASN . . . . . . . . . . . . . 8.7 t30 -72.83 -34.47 66.85 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.904 179.882 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 68' ' ' ARG . . . . . . . . . . . . . 65.5 ttt180 -90.33 -8.49 50.66 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.416 0.626 . . . . 0.0 110.153 -179.026 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 69' ' ' TRP . . . . . 0.618 ' NE1' HD11 ' A' ' 95' ' ' ILE . 11.3 t90 -60.87 -47.93 84.13 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.204 -0.907 . . . . 0.0 110.978 -178.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . -74.39 -4.2 68.51 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.352 178.54 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 71' ' ' SER . . . . . . . . . . . . . 33.1 t -89.46 -8.66 52.48 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 120.915 0.388 . . . . 0.0 109.965 178.538 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 72' ' ' VAL . . . . . . . . . . . . . 74.2 t -71.66 127.76 33.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.13 -0.486 . . . . 0.0 109.786 176.523 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 73' ' ' GLY . . . . . . . . . . . . . . . -63.44 119.85 18.37 Favored Glycine 0 N--CA 1.443 -0.859 0 N-CA-C 110.225 -1.15 . . . . 0.0 110.225 174.69 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 74' ' ' LYS . . . . . 0.488 ' O ' ' HG3' ' B' ' 78' ' ' MET . 8.4 ptpp? -63.78 -23.29 67.3 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.69 0.245 . . . . 0.0 111.14 -173.01 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 75' ' ' LYS . . . . . . . . . . . . . 21.6 tptm -65.92 -50.23 65.16 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 109.664 -0.495 . . . . 0.0 109.664 173.007 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 76' ' ' GLU . . . . . 0.508 ' O ' HG13 ' B' ' 80' ' ' ILE . 19.5 tp10 -61.35 -40.67 95.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.692 -0.685 . . . . 0.0 109.458 176.475 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 77' ' ' ALA . . . . . 0.408 ' O ' HG12 ' B' ' 81' ' ' ILE . . . -55.71 -45.43 77.9 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.771 177.509 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 78' ' ' MET . . . . . 0.488 ' HG3' ' O ' ' B' ' 74' ' ' LYS . 66.6 mtt -57.53 -42.08 82.17 Favored 'General case' 0 C--O 1.237 0.396 0 CA-C-O 121.149 0.5 . . . . 0.0 110.597 177.55 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 79' ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 -68.78 -46.68 68.09 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.683 -0.69 . . . . 0.0 110.634 179.19 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 80' ' ' ILE . . . . . 0.511 HD13 ' HA ' ' B' ' 45' ' ' ARG . 86.3 mt -58.02 -54.07 37.11 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.006 179.216 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 81' ' ' ILE . . . . . 0.443 HG23 ' HB3' ' A' ' 88' ' ' LEU . 44.7 mm -58.29 -38.73 70.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.951 -178.105 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 82' ' ' LYS . . . . . . . . . . . . . 3.7 ttmp? -61.22 -51.95 66.82 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.576 178.074 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 83' ' ' LYS . . . . . . . . . . . . . 53.0 mtmt -69.2 -28.35 66.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.015 -179.107 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 84' ' ' PHE . . . . . 0.475 ' O ' ' HG ' ' B' ' 88' ' ' LEU . 0.9 OUTLIER -65.68 -49.46 68.47 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.913 -0.585 . . . . 0.0 109.702 178.421 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 85' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -62.68 -32.4 73.46 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.651 178.223 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 86' ' ' LYS . . . . . . . . . . . . . 3.8 mmmp? -65.97 -41.97 90.47 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.917 176.865 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 87' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -67.69 -38.88 84.28 Favored 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 109.637 -0.505 . . . . 0.0 109.637 179.239 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 88' ' ' LEU . . . . . 0.475 ' HG ' ' O ' ' B' ' 84' ' ' PHE . 97.3 mt -64.1 -40.53 96.43 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.961 177.336 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -62.85 -42.56 99.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.575 178.572 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 90' ' ' ALA . . . . . 0.544 ' O ' HG13 ' B' ' 94' ' ' ILE . . . -66.83 -43.6 83.34 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.162 176.194 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 91' ' ' MET . . . . . 0.593 ' O ' HG12 ' B' ' 95' ' ' ILE . 37.5 ttm -52.81 -54.49 33.53 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.606 -0.724 . . . . 0.0 110.359 177.894 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 92' ' ' LEU . . . . . 0.444 ' HB2' HG13 ' A' ' 81' ' ' ILE . 63.7 tp -52.55 -50.4 62.99 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.486 -0.779 . . . . 0.0 111.087 178.193 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 93' ' ' ARG . . . . . . . . . . . . . 79.7 ttt180 -56.94 -43.27 81.33 Favored 'General case' 0 N--CA 1.446 -0.674 0 CA-C-N 115.28 -0.873 . . . . 0.0 111.191 -178.313 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 94' ' ' ILE . . . . . 0.605 ' O ' ' HG2' ' B' ' 98' ' ' ARG . 51.5 mt -73.05 -35.54 48.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-N 116.456 -0.338 . . . . 0.0 111.224 -178.215 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 95' ' ' ILE . . . . . 0.594 HD11 ' NE1' ' A' ' 69' ' ' TRP . 25.1 mm -57.62 -43.29 83.15 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.368 0 CA-C-O 121.372 0.605 . . . . 0.0 109.512 175.019 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 96' ' ' ASN . . . . . . . . . . . . . 94.5 m-20 -60.59 -38.88 86.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.436 -0.802 . . . . 0.0 110.545 176.843 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 97' ' ' ALA . . . . . . . . . . . . . . . -80.17 -17.4 52.54 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.719 -178.461 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 98' ' ' ARG . . . . . 0.605 ' HG2' ' O ' ' B' ' 94' ' ' ILE . 3.7 mmp_? . . . . . 0 CA--C 1.518 -0.256 0 CA-C-O 121.18 0.514 . . . . 0.0 110.13 178.675 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.5 0 N-CA-C 112.304 -0.318 . . . . 0.0 112.304 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.453 ' O ' HG23 ' A' ' 47' ' ' VAL . 50.7 Cg_endo -69.48 -171.56 0.46 Allowed 'Trans proline' 0 CA--C 1.531 0.335 0 C-N-CA 122.825 2.35 . . . . 0.0 113.017 -179.844 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.512 HD12 ' OE1' ' A' ' 76' ' ' GLU . 2.6 pt -43.54 -50.91 1.39 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.554 0 N-CA-C 113.553 0.945 . . . . 0.0 113.553 -176.806 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . 0.593 ' HG3' ' SD ' ' A' ' 46' ' ' MET . 12.2 ptt180 -59.63 -42.81 93.54 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.864 0.364 . . . . 0.0 111.879 179.892 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . 0.63 ' O ' HG13 ' A' ' 50' ' ' ILE . 1.6 mpt? -68.97 -28.22 66.42 Favored 'General case' 0 C--N 1.324 -0.533 0 C-N-CA 121.045 -0.262 . . . . 0.0 110.981 178.394 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.453 HG23 ' O ' ' A' ' 43' ' ' PRO . 94.6 t -60.91 -42.01 91.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 121.433 0.635 . . . . 0.0 109.339 176.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 5.6 tp -65.27 -38.77 91.33 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 114.958 -1.019 . . . . 0.0 110.467 178.389 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -68.17 -44.99 74.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.249 178.068 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.63 HG13 ' O ' ' A' ' 46' ' ' MET . 67.0 mt -63.9 -32.7 58.14 Favored 'Isoleucine or valine' 0 C--O 1.233 0.213 0 CA-C-O 121.135 0.493 . . . . 0.0 109.927 178.374 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.519 ' O ' ' HG2' ' A' ' 55' ' ' ARG . 12.5 tp -57.3 -58.56 7.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.693 -0.685 . . . . 0.0 110.195 175.847 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -57.2 -39.48 75.49 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.995 -179.551 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 84.8 t80 -52.85 -58.99 5.09 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.623 -0.717 . . . . 0.0 109.873 174.471 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.44 HD13 ' H ' ' A' ' 62' ' ' SER . 91.8 mt -68.19 -11.87 59.99 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.933 -177.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.519 ' HG2' ' O ' ' A' ' 51' ' ' LEU . 26.3 mmm180 -82.18 -40.25 22.01 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.724 0.297 . . . . 0.0 111.379 178.427 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . 0.527 ' CZ ' ' HA ' ' B' ' 84' ' ' PHE . 61.2 m-85 -105.88 -8.45 17.68 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.292 -0.413 . . . . 0.0 112.067 -175.616 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . 0.483 ' HA ' ' HG3' ' B' ' 46' ' ' MET . 48.9 p -102.41 -32.06 10.17 Favored 'General case' 0 C--N 1.325 -0.499 0 C-N-CA 120.215 -0.594 . . . . 0.0 110.897 174.592 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -131.9 -179.41 5.38 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.107 -173.223 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 49.3 mm -115.64 120.72 65.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 N-CA-C 109.245 -0.65 . . . . 0.0 109.245 176.227 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 87.9 tttt 66.88 103.42 0.03 OUTLIER Pre-proline 0 C--O 1.232 0.176 0 O-C-N 123.994 0.808 . . . . 0.0 111.048 -177.515 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 33.2 Cg_exo -61.53 152.01 76.18 Favored 'Trans proline' 0 C--O 1.234 0.308 0 C-N-CA 122.844 2.362 . . . . 0.0 112.08 178.122 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . 0.451 ' HB3' HD23 ' A' ' 65' ' ' LEU . 33.4 t -58.81 138.37 57.25 Favored 'General case' 0 C--O 1.236 0.39 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.495 178.838 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 82.9 mt -60.96 -23.59 65.45 Favored 'General case' 0 C--O 1.224 -0.258 0 CA-C-N 115.307 -0.861 . . . . 0.0 112.207 -172.462 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -61.73 -43.27 99.46 Favored Glycine 0 C--O 1.237 0.339 0 C-N-CA 120.305 -0.95 . . . . 0.0 111.624 176.118 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.451 HD23 ' HB3' ' A' ' 62' ' ' SER . 3.3 mm? -68.52 -38.79 81.18 Favored 'General case' 0 C--O 1.221 -0.434 0 N-CA-C 109.696 -0.483 . . . . 0.0 109.696 176.211 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 48.8 mm -64.47 -36.14 76.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 115.989 -0.55 . . . . 0.0 111.197 179.592 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 86.1 m-20 -71.19 -38.67 72.1 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.289 179.702 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 70.6 ttt180 -87.76 -8.4 56.06 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.547 0.689 . . . . 0.0 110.151 -179.582 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' TRP . . . . . 0.683 ' NE1' HD11 ' B' ' 95' ' ' ILE . 18.0 t90 -57.16 -41.71 79.7 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 114.935 -1.03 . . . . 0.0 110.898 -179.837 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -81.63 -1.34 90.13 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.65 -0.786 . . . . 0.0 112.629 -178.899 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 26.2 t -88.75 -12.89 40.91 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.758 0.313 . . . . 0.0 110.28 -179.379 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 30.3 t -63.33 143.42 15.61 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.433 0 N-CA-C 108.798 -0.815 . . . . 0.0 108.798 174.47 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . 0.488 ' C ' ' HG2' ' A' ' 74' ' ' LYS . . . -72.55 17.62 1.49 Allowed Glycine 0 C--O 1.223 -0.575 0 CA-C-O 118.908 -0.94 . . . . 0.0 114.565 -170.334 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.488 ' HG2' ' C ' ' A' ' 73' ' ' GLY . 2.0 ptpp? 51.01 -65.68 0.0 OUTLIER 'General case' 0 N--CA 1.485 1.322 0 C-N-CA 125.114 1.366 . . . . 0.0 113.808 178.773 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.471 ' N ' ' O ' ' A' ' 73' ' ' GLY . 1.3 tmtp? -54.94 -51.21 66.81 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 108.852 -0.796 . . . . 0.0 108.852 169.803 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . 0.512 ' OE1' HD12 ' A' ' 44' ' ' ILE . 9.9 tt0 -48.2 -47.08 35.61 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 114.291 -1.322 . . . . 0.0 110.73 171.733 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -61.49 -35.54 77.95 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.182 -179.198 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . 0.436 ' HG3' ' O ' ' A' ' 74' ' ' LYS . 65.2 mtt -58.03 -44.8 87.55 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 109.82 -0.437 . . . . 0.0 109.82 176.861 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 27.5 mm-40 -64.51 -43.85 92.79 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.488 -0.778 . . . . 0.0 111.091 177.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.483 HD13 ' HA ' ' A' ' 45' ' ' ARG . 73.3 mt -62.24 -52.21 63.03 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.851 179.218 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 40.8 mm -60.96 -35.01 62.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.782 -179.446 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.71 -51.9 67.42 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.137 177.192 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 59.6 mtpt -65.42 -34.15 77.63 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.777 178.894 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . 0.533 ' O ' ' HG ' ' A' ' 88' ' ' LEU . 1.7 t80 -60.53 -52.18 66.28 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.738 -0.664 . . . . 0.0 110.029 179.248 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -63.61 -35.21 79.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.116 179.219 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -64.43 -45.17 88.69 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.896 178.367 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -67.63 -38.65 84.2 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.309 -0.405 . . . . 0.0 109.938 -178.237 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.533 ' HG ' ' O ' ' A' ' 84' ' ' PHE . 91.6 mt -60.46 -40.3 90.7 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.731 176.607 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . 0.482 ' O ' ' HG3' ' A' ' 93' ' ' ARG . . . -62.1 -46.83 87.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.925 -179.567 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . 0.473 ' O ' HG13 ' A' ' 94' ' ' ILE . . . -63.36 -47.47 82.0 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.816 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' MET . . . . . 0.554 ' O ' HG12 ' A' ' 95' ' ' ILE . 0.0 OUTLIER -61.15 -38.49 86.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.923 -0.58 . . . . 0.0 111.308 -179.622 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 51.5 tp -58.94 -46.44 87.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.132 0.491 . . . . 0.0 110.894 177.143 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . 0.482 ' HG3' ' O ' ' A' ' 89' ' ' ALA . 90.2 mtt180 -61.22 -36.0 78.74 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.635 -179.724 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . 0.595 ' O ' ' HG3' ' A' ' 98' ' ' ARG . 60.5 mt -69.03 -37.06 76.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.847 179.106 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.677 HD11 ' NE1' ' B' ' 69' ' ' TRP . 25.9 mm -57.11 -45.57 84.29 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.214 0 CA-C-O 121.243 0.544 . . . . 0.0 109.962 176.608 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' ASN . . . . . 0.439 ' OD1' ' HB2' ' B' ' 74' ' ' LYS . 80.1 m-20 -60.34 -38.91 85.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.306 -0.861 . . . . 0.0 110.469 178.155 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -74.68 -2.62 27.07 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.746 -178.908 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . 0.595 ' HG3' ' O ' ' A' ' 94' ' ' ILE . 58.8 mtp180 . . . . . 0 C--N 1.328 -0.341 0 N-CA-C 111.807 0.299 . . . . 0.0 111.807 -179.616 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 42' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.535 0 CA-C-O 119.978 -0.346 . . . . 0.0 112.287 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 43' ' ' PRO . . . . . 0.454 ' O ' HG23 ' B' ' 47' ' ' VAL . 50.8 Cg_endo -69.79 -171.61 0.49 Allowed 'Trans proline' 0 CA--C 1.53 0.307 0 C-N-CA 122.911 2.407 . . . . 0.0 113.02 179.869 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 44' ' ' ILE . . . . . 0.505 HD12 ' OE1' ' B' ' 76' ' ' GLU . 2.6 pt -43.53 -51.22 1.35 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.544 0 N-CA-C 113.513 0.931 . . . . 0.0 113.513 -176.784 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 45' ' ' ARG . . . . . 0.582 ' HG3' ' SD ' ' B' ' 46' ' ' MET . 12.2 ptt180 -59.32 -42.93 92.55 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.859 0.362 . . . . 0.0 111.916 179.802 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 46' ' ' MET . . . . . 0.628 ' O ' HG13 ' B' ' 50' ' ' ILE . 1.5 mpt? -68.9 -28.28 66.54 Favored 'General case' 0 C--N 1.324 -0.542 0 C-N-CA 120.99 -0.284 . . . . 0.0 110.956 178.446 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 47' ' ' VAL . . . . . 0.454 HG23 ' O ' ' B' ' 43' ' ' PRO . 94.8 t -60.83 -41.98 90.71 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.23 0 CA-C-O 121.443 0.64 . . . . 0.0 109.363 177.049 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 48' ' ' LEU . . . . . 0.43 HD12 ' HA ' ' B' ' 48' ' ' LEU . 5.6 tp -65.23 -38.85 91.7 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.007 -0.997 . . . . 0.0 110.453 178.39 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -68.13 -45.05 74.71 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.245 178.094 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 50' ' ' ILE . . . . . 0.628 HG13 ' O ' ' B' ' 46' ' ' MET . 66.8 mt -63.76 -32.78 58.29 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-O 121.064 0.459 . . . . 0.0 109.936 178.299 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 51' ' ' LEU . . . . . 0.516 ' O ' ' HG2' ' B' ' 55' ' ' ARG . 12.5 tp -57.28 -58.45 8.18 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.238 175.888 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -57.15 -39.56 75.48 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.019 -179.681 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 53' ' ' PHE . . . . . . . . . . . . . 84.9 t80 -52.78 -58.94 5.24 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.662 -0.699 . . . . 0.0 109.917 174.461 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 54' ' ' LEU . . . . . 0.439 HD13 ' H ' ' B' ' 62' ' ' SER . 92.1 mt -68.33 -11.6 59.77 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.997 -177.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 55' ' ' ARG . . . . . 0.516 ' HG2' ' O ' ' B' ' 51' ' ' LEU . 26.4 mmm180 -82.42 -40.3 21.41 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.868 0.366 . . . . 0.0 111.374 178.249 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 56' ' ' PHE . . . . . 0.515 ' CZ ' ' HA ' ' A' ' 84' ' ' PHE . 60.6 m-85 -105.57 -8.81 17.76 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 112.055 0.391 . . . . 0.0 112.055 -175.589 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 57' ' ' THR . . . . . 0.479 ' HA ' ' HG3' ' A' ' 46' ' ' MET . 47.8 p -102.15 -32.13 10.25 Favored 'General case' 0 C--N 1.325 -0.459 0 C-N-CA 120.252 -0.579 . . . . 0.0 110.979 174.773 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -131.88 -179.0 5.13 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.106 -173.377 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 59' ' ' ILE . . . . . . . . . . . . . 49.2 mm -115.8 120.97 66.34 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 N-CA-C 109.339 -0.615 . . . . 0.0 109.339 176.201 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 88.1 tttt 66.62 103.67 0.03 OUTLIER Pre-proline 0 N--CA 1.462 0.174 0 O-C-N 123.923 0.764 . . . . 0.0 111.082 -177.242 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 61' ' ' PRO . . . . . . . . . . . . . 31.4 Cg_exo -61.9 151.7 79.52 Favored 'Trans proline' 0 C--O 1.233 0.271 0 C-N-CA 122.83 2.353 . . . . 0.0 112.08 177.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 62' ' ' SER . . . . . 0.439 ' H ' HD13 ' B' ' 54' ' ' LEU . 33.0 t -58.68 139.03 56.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.487 178.896 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 83.9 mt -61.75 -23.36 66.11 Favored 'General case' 0 C--O 1.224 -0.257 0 CA-C-N 115.275 -0.875 . . . . 0.0 112.145 -172.157 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -61.77 -43.16 99.6 Favored Glycine 0 C--O 1.237 0.286 0 C-N-CA 120.368 -0.92 . . . . 0.0 111.633 175.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 65' ' ' LEU . . . . . 0.435 ' O ' ' HB2' ' B' ' 69' ' ' TRP . 3.3 mm? -68.68 -38.87 80.68 Favored 'General case' 0 C--O 1.221 -0.431 0 N-CA-C 109.689 -0.486 . . . . 0.0 109.689 176.157 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 66' ' ' ILE . . . . . . . . . . . . . 48.5 mm -64.24 -36.3 76.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.159 179.499 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 67' ' ' ASN . . . . . . . . . . . . . 86.2 m-20 -71.14 -38.69 72.25 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.272 179.801 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 68' ' ' ARG . . . . . . . . . . . . . 70.8 ttt180 -87.71 -8.34 56.22 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.475 0.655 . . . . 0.0 110.095 -179.559 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 69' ' ' TRP . . . . . 0.677 ' NE1' HD11 ' A' ' 95' ' ' ILE . 18.0 t90 -57.36 -41.6 80.43 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 114.971 -1.013 . . . . 0.0 110.863 -179.722 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . -81.82 -1.21 90.16 Favored Glycine 0 N--CA 1.45 -0.4 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.595 -178.913 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 71' ' ' SER . . . . . . . . . . . . . 22.8 t -89.03 -12.35 41.59 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.745 0.307 . . . . 0.0 110.343 -179.682 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 72' ' ' VAL . . . . . . . . . . . . . 30.9 t -63.5 143.65 15.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 N-CA-C 108.785 -0.821 . . . . 0.0 108.785 174.302 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 73' ' ' GLY . . . . . 0.477 ' C ' ' HG2' ' B' ' 74' ' ' LYS . . . -72.7 17.77 1.51 Allowed Glycine 0 C--O 1.225 -0.466 0 CA-C-O 118.765 -1.02 . . . . 0.0 114.52 -170.427 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 74' ' ' LYS . . . . . 0.477 ' HG2' ' C ' ' B' ' 73' ' ' GLY . 2.1 ptpp? 50.92 -65.76 0.0 OUTLIER 'General case' 0 N--CA 1.485 1.315 0 C-N-CA 125.23 1.412 . . . . 0.0 113.763 178.726 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 75' ' ' LYS . . . . . 0.462 ' N ' ' O ' ' B' ' 73' ' ' GLY . 1.3 tmtp? -54.76 -51.36 65.94 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 121.679 0.752 . . . . 0.0 108.986 169.655 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 76' ' ' GLU . . . . . 0.505 ' OE1' HD12 ' B' ' 44' ' ' ILE . 9.8 tt0 -47.84 -47.32 31.44 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 114.372 -1.285 . . . . 0.0 110.796 171.457 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 77' ' ' ALA . . . . . . . . . . . . . . . -61.32 -35.56 77.72 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.873 -0.603 . . . . 0.0 111.157 -179.186 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 78' ' ' MET . . . . . 0.43 ' HG3' ' O ' ' B' ' 74' ' ' LYS . 65.3 mtt -58.11 -44.88 87.94 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 109.868 -0.419 . . . . 0.0 109.868 176.885 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 79' ' ' GLU . . . . . . . . . . . . . 34.8 mm-40 -64.42 -43.99 92.63 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.529 -0.759 . . . . 0.0 111.044 177.842 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 80' ' ' ILE . . . . . 0.472 HD13 ' HA ' ' B' ' 45' ' ' ARG . 73.5 mt -61.96 -52.22 63.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.031 -0.532 . . . . 0.0 110.87 179.206 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 81' ' ' ILE . . . . . . . . . . . . . 40.7 mm -61.1 -34.84 61.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 115.976 -0.557 . . . . 0.0 110.791 -179.415 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 82' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.96 -51.85 67.49 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.102 177.311 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 83' ' ' LYS . . . . . . . . . . . . . 60.2 mtpt -65.29 -34.39 78.23 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.711 178.755 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 84' ' ' PHE . . . . . 0.532 ' O ' ' HG ' ' B' ' 88' ' ' LEU . 1.6 t80 -60.31 -52.23 66.13 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.007 179.345 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 85' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -63.67 -35.25 79.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.925 -0.58 . . . . 0.0 111.153 179.295 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 86' ' ' LYS . . . . . . . . . . . . . 97.2 mttt -64.34 -45.09 89.37 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.995 178.285 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 87' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -67.64 -38.76 84.32 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.986 0.422 . . . . 0.0 110.071 -178.502 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 88' ' ' LEU . . . . . 0.532 ' HG ' ' O ' ' B' ' 84' ' ' PHE . 91.6 mt -60.35 -40.33 90.34 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.705 176.45 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 89' ' ' ALA . . . . . 0.476 ' O ' ' HG3' ' B' ' 93' ' ' ARG . . . -62.03 -46.8 87.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.896 -179.653 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 90' ' ' ALA . . . . . 0.479 ' O ' HG13 ' B' ' 94' ' ' ILE . . . -63.39 -47.28 82.66 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.884 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 91' ' ' MET . . . . . 0.545 ' O ' HG12 ' B' ' 95' ' ' ILE . 0.0 OUTLIER -61.34 -38.68 87.81 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.262 -179.556 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 92' ' ' LEU . . . . . . . . . . . . . 51.4 tp -58.82 -46.65 87.17 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.121 0.486 . . . . 0.0 110.847 177.217 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 93' ' ' ARG . . . . . 0.476 ' HG3' ' O ' ' B' ' 89' ' ' ALA . 90.4 mtt180 -61.03 -35.99 78.36 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.68 -179.765 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 94' ' ' ILE . . . . . 0.589 ' O ' ' HG3' ' B' ' 98' ' ' ARG . 60.5 mt -69.02 -36.93 76.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.805 179.124 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 95' ' ' ILE . . . . . 0.683 HD11 ' NE1' ' A' ' 69' ' ' TRP . 26.2 mm -57.32 -45.35 85.15 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.193 0 CA-C-O 121.24 0.543 . . . . 0.0 109.831 176.767 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 96' ' ' ASN . . . . . 0.434 ' OD1' ' HB2' ' A' ' 74' ' ' LYS . 78.9 m-20 -60.69 -38.63 85.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.291 -0.868 . . . . 0.0 110.506 178.248 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 97' ' ' ALA . . . . . . . . . . . . . . . -74.63 -3.22 29.89 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.888 -0.596 . . . . 0.0 111.648 -178.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 98' ' ' ARG . . . . . 0.589 ' HG3' ' O ' ' B' ' 94' ' ' ILE . 59.5 mtp180 . . . . . 0 C--N 1.329 -0.31 0 N-CA-C 111.761 0.282 . . . . 0.0 111.761 -179.521 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.402 0 N-CA-C 111.653 -0.579 . . . . 0.0 111.653 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.406 ' O ' HG23 ' A' ' 47' ' ' VAL . 51.5 Cg_exo -55.6 168.91 1.37 Allowed 'Trans proline' 0 CA--C 1.532 0.413 0 C-N-CA 123.147 2.565 . . . . 0.0 113.111 -179.606 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.614 ' HB ' HG13 ' A' ' 72' ' ' VAL . 24.9 pt -54.31 -41.48 52.89 Favored 'Isoleucine or valine' 0 C--O 1.243 0.724 0 N-CA-C 112.649 0.611 . . . . 0.0 112.649 -171.203 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . 0.502 ' HA ' ' CD1' ' A' ' 80' ' ' ILE . 55.9 mtp180 -61.93 -40.79 96.72 Favored 'General case' 0 C--O 1.236 0.364 0 CA-C-O 121.366 0.603 . . . . 0.0 110.17 177.647 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . 0.642 ' O ' HG13 ' A' ' 50' ' ' ILE . 1.8 mpt? -68.21 -30.56 69.66 Favored 'General case' 0 C--O 1.219 -0.536 0 CA-C-N 115.509 -0.769 . . . . 0.0 110.601 177.312 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.409 ' HB ' ' O ' ' A' ' 44' ' ' ILE . 95.7 t -56.21 -47.41 80.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 N-CA-C 110.287 -0.264 . . . . 0.0 110.287 177.22 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 7.3 mp -65.46 -37.02 85.63 Favored 'General case' 0 C--N 1.33 -0.27 0 C-N-CA 120.71 -0.396 . . . . 0.0 111.328 176.918 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -64.14 -44.48 92.02 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.905 0.384 . . . . 0.0 110.976 177.32 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.642 HG13 ' O ' ' A' ' 46' ' ' MET . 59.5 mt -66.0 -34.66 71.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.024 178.222 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.529 HD22 ' NE1' ' A' ' 69' ' ' TRP . 4.5 tp -58.37 -54.86 42.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.464 175.839 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -54.8 -43.33 72.81 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.383 179.814 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 74.1 t80 -53.24 -59.83 4.07 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.55 -0.75 . . . . 0.0 109.956 174.044 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 95.7 mt -66.5 -8.71 28.3 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 112.639 0.607 . . . . 0.0 112.639 -175.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.479 ' HG2' ' O ' ' A' ' 51' ' ' LEU . 17.6 mmm180 -94.38 -40.67 9.81 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.856 0.36 . . . . 0.0 111.351 178.305 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 73.2 m-85 -94.34 -15.64 24.22 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.505 -177.325 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . 0.507 ' HA ' ' HG3' ' B' ' 46' ' ' MET . 34.1 p -103.83 -33.42 8.89 Favored 'General case' 0 C--N 1.325 -0.468 0 C-N-CA 120.515 -0.474 . . . . 0.0 111.038 177.725 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -128.56 179.56 5.6 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.016 0.436 . . . . 0.0 111.206 -173.855 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 3.4 mp -116.23 122.26 69.31 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 N-CA-C 109.084 -0.71 . . . . 0.0 109.084 175.483 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 53.2 tttm 65.82 104.19 0.03 OUTLIER Pre-proline 0 C--O 1.234 0.284 0 O-C-N 123.829 0.706 . . . . 0.0 111.822 -178.462 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 22.3 Cg_exo -65.88 152.35 81.72 Favored 'Trans proline' 0 C--O 1.235 0.374 0 C-N-CA 122.699 2.266 . . . . 0.0 111.386 174.225 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 27.9 t -60.51 142.03 55.78 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.282 178.462 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 86.6 mt -64.55 -16.64 62.94 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.568 -0.742 . . . . 0.0 112.264 -172.538 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -65.15 -47.81 77.17 Favored Glycine 0 N--CA 1.449 -0.457 0 C-N-CA 120.613 -0.803 . . . . 0.0 111.326 174.166 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.448 ' O ' ' HB2' ' A' ' 69' ' ' TRP . 3.2 mm? -66.15 -36.39 82.99 Favored 'General case' 0 C--O 1.222 -0.351 0 N-CA-C 109.78 -0.452 . . . . 0.0 109.78 176.779 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 45.4 mm -64.02 -37.99 81.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.036 179.125 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 -65.79 -44.37 85.94 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.704 179.131 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . 0.408 ' O ' HG23 ' A' ' 72' ' ' VAL . 67.5 ttt180 -81.46 -17.9 47.1 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.0 0.428 . . . . 0.0 110.371 -177.548 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' TRP . . . . . 0.529 ' NE1' HD22 ' A' ' 51' ' ' LEU . 19.0 t90 -54.75 -53.06 60.05 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.403 -0.817 . . . . 0.0 110.772 177.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -82.33 15.61 28.09 Favored Glycine 0 N--CA 1.449 -0.443 0 C-N-CA 120.839 -0.696 . . . . 0.0 112.211 178.636 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 19.6 m -122.07 11.98 10.31 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.302 0.573 . . . . 0.0 110.082 179.034 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.614 HG13 ' HB ' ' A' ' 44' ' ' ILE . 46.1 t -81.93 -15.58 12.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 122.281 1.039 . . . . 0.0 111.12 -178.83 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 83.9 115.85 0.64 Allowed Glycine 0 C--N 1.302 -1.322 0 CA-C-N 114.203 -1.362 . . . . 0.0 110.019 -169.466 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.61 ' O ' ' HG3' ' A' ' 78' ' ' MET . 9.8 ptpp? -63.84 -21.58 66.51 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.062 0.458 . . . . 0.0 110.056 -176.794 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 21.4 tptm -66.39 -54.82 20.03 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.082 172.75 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . 0.496 ' O ' HG13 ' A' ' 80' ' ' ILE . 14.5 tp10 -57.18 -43.23 82.45 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.441 -0.8 . . . . 0.0 109.68 176.813 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.548 ' O ' HG12 ' A' ' 81' ' ' ILE . . . -55.58 -44.86 77.31 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.527 -0.761 . . . . 0.0 111.156 178.713 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . 0.61 ' HG3' ' O ' ' A' ' 74' ' ' LYS . 67.8 mtt -58.15 -43.05 87.15 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-O 120.999 0.428 . . . . 0.0 110.541 178.6 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -68.62 -38.06 80.23 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.816 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.502 ' CD1' ' HA ' ' A' ' 45' ' ' ARG . 86.9 mt -63.28 -50.16 80.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.38 176.82 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.548 HG12 ' O ' ' A' ' 77' ' ' ALA . 48.4 mm -60.52 -40.75 85.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.685 -179.861 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 24.8 ttmm -59.06 -50.97 72.06 Favored 'General case' 0 C--O 1.237 0.417 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.666 178.241 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 63.2 tttm -66.88 -38.95 87.27 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.523 179.872 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . 0.607 ' O ' ' HG ' ' A' ' 88' ' ' LEU . 0.3 OUTLIER -56.06 -52.67 63.43 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.015 -0.538 . . . . 0.0 110.302 -179.606 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -61.94 -36.2 80.7 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.917 179.658 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 39.7 ttmt -65.8 -48.63 71.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.615 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . 0.578 ' O ' ' HG2' ' A' ' 91' ' ' MET . 1.5 m-20 -63.39 -39.83 95.58 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.69 177.868 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.607 ' HG ' ' O ' ' A' ' 84' ' ' PHE . 85.0 mt -58.73 -43.08 90.08 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.903 0.382 . . . . 0.0 110.818 179.398 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -62.76 -41.49 99.24 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.6 178.424 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . 0.573 ' O ' HG13 ' A' ' 94' ' ' ILE . . . -65.49 -44.28 87.55 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.619 178.433 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' MET . . . . . 0.578 ' HG2' ' O ' ' A' ' 87' ' ' ASP . 25.6 mmt -61.33 -41.21 96.65 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.677 179.491 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 55.8 tp -57.6 -45.21 85.6 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.169 0.509 . . . . 0.0 110.496 177.871 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 96.5 mtt180 -60.87 -34.36 74.5 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.57 177.713 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . 0.573 HG13 ' O ' ' A' ' 90' ' ' ALA . 48.3 mt -73.92 -32.69 34.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.879 178.904 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.507 HG12 ' O ' ' A' ' 91' ' ' MET . 18.5 mm -56.15 -43.07 74.99 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.287 0 CA-C-O 121.363 0.601 . . . . 0.0 109.562 174.283 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 35.0 m-80 -60.78 -43.07 98.53 Favored 'General case' 0 C--O 1.237 0.395 0 CA-C-N 115.298 -0.865 . . . . 0.0 110.357 174.588 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -68.51 -24.07 64.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.469 -0.787 . . . . 0.0 111.96 -178.508 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . 0.551 ' HG2' ' O ' ' A' ' 94' ' ' ILE . 27.1 mmm180 . . . . . 0 C--N 1.327 -0.412 0 CA-C-O 120.878 0.37 . . . . 0.0 111.012 -177.719 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 42' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.436 0 CA-C-O 119.474 -0.626 . . . . 0.0 111.539 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 43' ' ' PRO . . . . . . . . . . . . . 51.5 Cg_exo -55.78 168.74 1.56 Allowed 'Trans proline' 0 C--N 1.346 0.411 0 C-N-CA 123.168 2.578 . . . . 0.0 113.073 -179.629 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 44' ' ' ILE . . . . . 0.615 ' HB ' HG13 ' B' ' 72' ' ' VAL . 25.0 pt -54.07 -41.67 51.51 Favored 'Isoleucine or valine' 0 C--O 1.242 0.684 0 N-CA-C 112.665 0.617 . . . . 0.0 112.665 -171.245 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 45' ' ' ARG . . . . . 0.505 ' HA ' ' CD1' ' B' ' 80' ' ' ILE . 55.9 mtp180 -61.81 -40.9 96.88 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-O 121.339 0.59 . . . . 0.0 110.109 177.624 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 46' ' ' MET . . . . . 0.626 ' O ' HG13 ' B' ' 50' ' ' ILE . 1.8 mpt? -68.23 -30.47 69.54 Favored 'General case' 0 C--O 1.219 -0.525 0 CA-C-N 115.547 -0.752 . . . . 0.0 110.604 177.438 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 47' ' ' VAL . . . . . 0.419 ' HB ' ' O ' ' B' ' 44' ' ' ILE . 95.1 t -56.22 -47.46 80.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.63 0.252 . . . . 0.0 110.354 177.199 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 7.3 mp -65.36 -37.12 86.07 Favored 'General case' 0 N--CA 1.464 0.249 0 C-N-CA 120.752 -0.379 . . . . 0.0 111.344 176.746 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -64.02 -44.46 92.49 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.917 0.389 . . . . 0.0 111.036 177.248 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 50' ' ' ILE . . . . . 0.626 HG13 ' O ' ' B' ' 46' ' ' MET . 59.9 mt -65.91 -34.74 72.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.019 178.271 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 51' ' ' LEU . . . . . 0.528 HD22 ' NE1' ' B' ' 69' ' ' TRP . 4.5 tp -58.45 -54.81 42.84 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.442 175.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -54.65 -43.54 72.46 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-N 115.998 -0.547 . . . . 0.0 110.434 179.705 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 53' ' ' PHE . . . . . . . . . . . . . 74.1 t80 -53.12 -59.8 4.09 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.452 -0.795 . . . . 0.0 109.973 174.049 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 54' ' ' LEU . . . . . . . . . . . . . 95.7 mt -66.6 -8.51 27.64 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 112.576 0.584 . . . . 0.0 112.576 -175.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 55' ' ' ARG . . . . . 0.473 ' HG2' ' O ' ' B' ' 51' ' ' LEU . 17.6 mmm180 -94.81 -40.16 9.89 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.883 0.373 . . . . 0.0 111.475 178.328 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 56' ' ' PHE . . . . . . . . . . . . . 73.1 m-85 -94.86 -15.25 23.85 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.365 -0.379 . . . . 0.0 111.49 -177.529 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 57' ' ' THR . . . . . 0.497 ' HA ' ' HG3' ' A' ' 46' ' ' MET . 34.0 p -104.08 -33.52 8.74 Favored 'General case' 0 C--N 1.326 -0.448 0 C-N-CA 120.528 -0.469 . . . . 0.0 111.031 177.574 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -128.43 179.48 5.63 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.164 0.507 . . . . 0.0 111.134 -173.843 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 59' ' ' ILE . . . . . . . . . . . . . 3.3 mp -116.07 122.2 69.11 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-N 115.616 -0.72 . . . . 0.0 109.237 175.249 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 53.2 tttm 65.69 104.51 0.03 OUTLIER Pre-proline 0 C--O 1.234 0.276 0 O-C-N 123.919 0.762 . . . . 0.0 111.804 -178.305 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 61' ' ' PRO . . . . . . . . . . . . . 21.9 Cg_exo -66.13 151.8 82.78 Favored 'Trans proline' 0 C--O 1.236 0.394 0 C-N-CA 122.693 2.262 . . . . 0.0 111.467 174.044 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 24.6 t -59.88 141.64 55.07 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.262 178.458 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 87.2 mt -64.5 -16.41 62.47 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.644 -0.707 . . . . 0.0 112.069 -172.565 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -65.28 -47.44 80.02 Favored Glycine 0 N--CA 1.449 -0.439 0 C-N-CA 120.484 -0.865 . . . . 0.0 111.361 174.18 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 65' ' ' LEU . . . . . 0.441 ' O ' ' HB2' ' B' ' 69' ' ' TRP . 3.2 mm? -66.52 -36.46 82.75 Favored 'General case' 0 C--O 1.221 -0.424 0 N-CA-C 109.753 -0.462 . . . . 0.0 109.753 176.674 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 66' ' ' ILE . . . . . . . . . . . . . 45.4 mm -64.01 -37.71 80.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.044 179.184 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 67' ' ' ASN . . . . . . . . . . . . . 3.9 t-20 -66.03 -44.35 84.95 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.616 179.033 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 68' ' ' ARG . . . . . . . . . . . . . 67.2 ttt180 -81.35 -17.93 47.4 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.051 0.453 . . . . 0.0 110.4 -177.513 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 69' ' ' TRP . . . . . 0.528 ' NE1' HD22 ' B' ' 51' ' ' LEU . 19.0 t90 -54.86 -53.08 59.96 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.337 -0.847 . . . . 0.0 110.753 178.066 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . -81.87 15.0 28.71 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.82 -0.705 . . . . 0.0 112.168 178.54 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 71' ' ' SER . . . . . . . . . . . . . 19.9 m -121.97 12.63 10.47 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.106 0.479 . . . . 0.0 110.167 179.135 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 72' ' ' VAL . . . . . 0.615 HG13 ' HB ' ' B' ' 44' ' ' ILE . 45.1 t -82.49 -15.47 11.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-O 122.237 1.018 . . . . 0.0 111.074 -179.036 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 73' ' ' GLY . . . . . . . . . . . . . . . 83.83 115.92 0.63 Allowed Glycine 0 C--N 1.302 -1.317 0 CA-C-N 114.164 -1.38 . . . . 0.0 110.083 -169.51 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 74' ' ' LYS . . . . . 0.595 ' O ' ' HG3' ' B' ' 78' ' ' MET . 9.8 ptpp? -63.43 -21.96 66.6 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 117.033 0.417 . . . . 0.0 110.198 -176.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 75' ' ' LYS . . . . . . . . . . . . . 21.6 tptm -66.26 -54.84 20.19 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.031 172.805 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 76' ' ' GLU . . . . . 0.494 ' O ' HG13 ' B' ' 80' ' ' ILE . 13.9 tp10 -57.22 -42.98 82.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.483 -0.78 . . . . 0.0 109.698 176.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 77' ' ' ALA . . . . . 0.553 ' O ' HG12 ' B' ' 81' ' ' ILE . . . -55.74 -44.93 78.03 Favored 'General case' 0 N--CA 1.454 -0.25 0 CA-C-N 115.531 -0.759 . . . . 0.0 111.163 178.572 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 78' ' ' MET . . . . . 0.595 ' HG3' ' O ' ' B' ' 74' ' ' LYS . 68.0 mtt -58.0 -43.09 86.44 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-O 120.854 0.359 . . . . 0.0 110.525 178.665 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 79' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -68.53 -38.22 80.68 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.748 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 80' ' ' ILE . . . . . 0.505 ' CD1' ' HA ' ' B' ' 45' ' ' ARG . 87.2 mt -63.3 -50.26 79.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.424 176.852 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 81' ' ' ILE . . . . . 0.553 HG12 ' O ' ' B' ' 77' ' ' ALA . 48.4 mm -60.44 -40.43 84.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.796 -179.906 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 82' ' ' LYS . . . . . . . . . . . . . 24.8 ttmm -59.43 -50.97 71.88 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.547 178.199 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 83' ' ' LYS . . . . . . . . . . . . . 63.1 tttm -66.85 -38.82 87.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.522 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 84' ' ' PHE . . . . . 0.606 ' O ' ' HG ' ' B' ' 88' ' ' LEU . 0.3 OUTLIER -56.24 -52.64 63.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.251 -179.51 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 85' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -61.8 -36.66 81.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.824 179.578 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 86' ' ' LYS . . . . . . . . . . . . . 39.6 ttmt -65.27 -49.16 70.65 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.708 179.812 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 87' ' ' ASP . . . . . 0.587 ' O ' ' HG2' ' B' ' 91' ' ' MET . 1.3 m-20 -63.09 -39.68 95.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.75 177.796 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 88' ' ' LEU . . . . . 0.606 ' HG ' ' O ' ' B' ' 84' ' ' PHE . 84.9 mt -58.79 -43.15 90.39 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-O 120.884 0.373 . . . . 0.0 110.824 179.368 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -62.86 -41.37 99.35 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.531 178.61 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 90' ' ' ALA . . . . . 0.568 ' O ' HG13 ' B' ' 94' ' ' ILE . . . -65.44 -44.39 87.44 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.673 178.357 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 91' ' ' MET . . . . . 0.587 ' HG2' ' O ' ' B' ' 87' ' ' ASP . 25.7 mmt -61.3 -41.14 96.49 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.681 179.402 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 92' ' ' LEU . . . . . . . . . . . . . 55.9 tp -57.58 -45.15 85.59 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.173 0.511 . . . . 0.0 110.506 177.737 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 93' ' ' ARG . . . . . . . . . . . . . 96.1 mtt180 -61.01 -34.33 74.66 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.521 177.785 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 94' ' ' ILE . . . . . 0.568 HG13 ' O ' ' B' ' 90' ' ' ALA . 48.0 mt -73.97 -32.59 33.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.783 178.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 95' ' ' ILE . . . . . 0.513 HD11 ' NE1' ' A' ' 69' ' ' TRP . 18.5 mm -56.19 -43.17 75.57 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.331 0 CA-C-O 121.337 0.589 . . . . 0.0 109.603 174.295 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 96' ' ' ASN . . . . . 0.403 ' OD1' ' HD3' ' A' ' 74' ' ' LYS . 35.3 m-80 -60.69 -42.98 98.23 Favored 'General case' 0 C--O 1.236 0.393 0 CA-C-N 115.288 -0.869 . . . . 0.0 110.346 174.629 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 97' ' ' ALA . . . . . . . . . . . . . . . -68.23 -24.95 64.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.5 -0.773 . . . . 0.0 111.933 -178.511 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 98' ' ' ARG . . . . . 0.542 ' HG2' ' O ' ' B' ' 94' ' ' ILE . 27.3 mmm180 . . . . . 0 C--N 1.327 -0.401 0 CA-C-O 120.92 0.391 . . . . 0.0 111.013 -177.447 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.445 -0.739 0 CA-C-O 120.148 -0.251 . . . . 0.0 112.525 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.551 ' HD2' ' SD ' ' A' ' 46' ' ' MET . 43.9 Cg_endo -68.51 174.15 8.78 Favored 'Trans proline' 0 N--CA 1.463 -0.281 0 C-N-CA 122.658 2.239 . . . . 0.0 111.792 175.365 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 21.3 pt -49.59 -39.83 14.53 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.416 0 N-CA-C 113.023 0.749 . . . . 0.0 113.023 -173.29 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . 0.511 ' HA ' HD13 ' A' ' 80' ' ' ILE . 98.5 mtt180 -63.73 -44.62 93.02 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 121.272 0.558 . . . . 0.0 110.826 179.545 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . 0.602 ' HG2' ' HA ' ' B' ' 57' ' ' THR . 62.2 mtp -72.18 -23.29 61.25 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.971 179.764 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.514 HG23 ' O ' ' A' ' 43' ' ' PRO . 93.0 t -63.31 -48.01 89.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.418 -0.356 . . . . 0.0 110.294 175.258 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 64.6 mt -66.95 -32.74 74.2 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.474 -0.33 . . . . 0.0 110.688 178.274 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -64.77 -51.65 61.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.174 177.542 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.437 ' O ' ' HB3' ' A' ' 53' ' ' PHE . 15.0 tt -71.38 -24.08 23.52 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 CA-C-O 121.024 0.44 . . . . 0.0 110.295 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.425 ' O ' ' HG2' ' A' ' 55' ' ' ARG . 14.7 tp -60.59 -57.42 12.78 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.074 -0.512 . . . . 0.0 109.864 174.839 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -58.78 -38.06 77.68 Favored 'General case' 0 CA--C 1.519 -0.213 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.494 178.709 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.477 ' HB2' ' HB2' ' B' ' 53' ' ' PHE . 43.0 t80 -51.3 -61.18 2.39 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.61 -0.723 . . . . 0.0 109.883 173.517 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 91.3 mt -68.12 -16.31 63.95 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.91 -177.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.425 ' HG2' ' O ' ' A' ' 51' ' ' LEU . 23.9 mmm180 -75.39 -46.31 33.75 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.023 0.44 . . . . 0.0 111.271 177.647 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . 0.622 ' CZ ' ' HA ' ' B' ' 84' ' ' PHE . 89.2 m-85 -96.24 -6.4 38.13 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.539 -174.645 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . 0.608 ' HA ' ' HG2' ' B' ' 46' ' ' MET . 81.6 p -102.38 -34.36 9.21 Favored 'General case' 0 C--N 1.325 -0.484 0 C-N-CA 120.523 -0.471 . . . . 0.0 111.185 175.105 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -135.87 -176.61 4.36 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.575 -171.456 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 70.5 mt -116.19 127.6 73.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-N 115.719 -0.673 . . . . 0.0 109.913 178.523 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 86.0 tttt 57.32 83.74 0.22 Allowed Pre-proline 0 N--CA 1.465 0.305 0 O-C-N 123.649 0.593 . . . . 0.0 110.158 -177.647 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . 0.432 ' HB2' ' H ' ' A' ' 62' ' ' SER . 81.5 Cg_exo -40.84 -82.32 0.02 OUTLIER 'Trans proline' 0 C--N 1.348 0.549 0 C-N-CA 124.022 3.148 . . . . 0.0 114.778 -168.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . 0.565 ' O ' HG12 ' A' ' 66' ' ' ILE . 71.2 m -166.75 135.84 2.9 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 109.346 -0.613 . . . . 0.0 109.346 -177.317 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -64.4 -31.19 72.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.573 -175.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -68.38 -40.34 87.03 Favored Glycine 0 C--O 1.237 0.342 0 C-N-CA 120.559 -0.829 . . . . 0.0 111.677 177.048 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.489 HD23 ' HB2' ' A' ' 62' ' ' SER . 4.5 mm? -67.79 -38.11 82.91 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 110.174 -0.306 . . . . 0.0 110.174 177.066 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.565 HG12 ' O ' ' A' ' 62' ' ' SER . 48.0 mm -66.48 -32.22 57.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 121.268 0.556 . . . . 0.0 110.339 176.715 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 27.1 t-20 -62.45 -43.71 98.16 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.684 176.685 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 42.3 ttm180 -85.25 -14.95 45.11 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.238 0.542 . . . . 0.0 110.467 -178.793 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' TRP . . . . . 0.519 ' NE1' HD11 ' B' ' 95' ' ' ILE . 13.7 t90 -56.76 -48.32 78.1 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.397 -0.819 . . . . 0.0 110.849 179.358 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -77.96 -3.05 83.96 Favored Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.886 -0.674 . . . . 0.0 112.49 178.581 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 22.7 t -91.45 -14.13 31.07 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 109.672 -0.492 . . . . 0.0 109.672 178.297 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 68.0 t -68.87 130.85 34.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 115.845 -0.616 . . . . 0.0 109.608 175.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -61.16 122.01 28.19 Favored Glycine 0 N--CA 1.44 -1.074 0 N-CA-C 110.456 -1.058 . . . . 0.0 110.456 175.747 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.513 ' O ' ' HG2' ' A' ' 78' ' ' MET . 11.9 ptmm? -59.35 -31.62 69.37 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.692 0.246 . . . . 0.0 111.129 -176.056 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 51.4 tptt -64.34 -47.51 79.08 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.868 0.366 . . . . 0.0 110.13 173.648 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . 0.475 ' O ' HG13 ' A' ' 80' ' ' ILE . 27.9 tp10 -60.11 -44.82 94.59 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.689 -0.687 . . . . 0.0 109.604 177.758 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.414 ' O ' HG12 ' A' ' 81' ' ' ILE . . . -57.09 -43.7 82.44 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.736 178.314 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . 0.513 ' HG2' ' O ' ' A' ' 74' ' ' LYS . 68.9 mmm -55.83 -42.1 75.24 Favored 'General case' 0 C--O 1.235 0.341 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.751 177.579 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -73.61 -40.86 63.49 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.893 -179.722 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.511 HD13 ' HA ' ' A' ' 45' ' ' ARG . 89.9 mt -60.98 -50.77 79.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.574 178.164 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.414 HG12 ' O ' ' A' ' 77' ' ' ALA . 45.9 mm -62.68 -36.63 76.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.018 -178.692 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . 0.436 ' O ' ' HD3' ' A' ' 86' ' ' LYS . 4.5 tmmm? -61.19 -53.48 56.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.94 0.4 . . . . 0.0 110.09 178.167 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 14.7 ptmm? -72.7 -19.98 61.31 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.588 -177.732 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . 0.633 ' HA ' ' CZ ' ' B' ' 56' ' ' PHE . 1.8 t80 -67.94 -52.36 37.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.949 -0.569 . . . . 0.0 109.645 177.448 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -61.9 -39.91 93.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.995 -179.709 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . 0.436 ' HD3' ' O ' ' A' ' 82' ' ' LYS . 5.8 mptp? -64.86 -37.28 87.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.588 -179.609 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -72.95 -37.17 67.21 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 109.854 -0.424 . . . . 0.0 109.854 178.593 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.503 ' HG ' ' O ' ' A' ' 84' ' ' PHE . 94.3 mt -59.48 -44.14 93.11 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.15 175.076 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . 0.538 ' O ' ' HG3' ' A' ' 93' ' ' ARG . . . -61.08 -45.49 94.53 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.733 178.322 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . 0.585 ' O ' HG13 ' A' ' 94' ' ' ILE . . . -60.44 -51.13 70.8 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.898 178.835 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' MET . . . . . 0.433 ' O ' HG12 ' A' ' 95' ' ' ILE . 74.7 mtm -62.8 -35.47 79.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.023 -179.433 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 58.2 tp -59.13 -47.43 85.31 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.045 0.45 . . . . 0.0 110.595 175.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . 0.538 ' HG3' ' O ' ' A' ' 89' ' ' ALA . 21.7 mtm180 -61.05 -32.58 72.21 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.466 178.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . 0.625 ' O ' ' HG2' ' A' ' 98' ' ' ARG . 25.4 mt -72.39 -32.46 42.31 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.372 0 C-N-CA 120.807 -0.357 . . . . 0.0 110.693 178.444 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.516 HD11 ' NE1' ' B' ' 69' ' ' TRP . 15.7 mm -56.52 -44.48 80.7 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.424 0 N-CA-C 109.202 -0.666 . . . . 0.0 109.202 173.091 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' ASN . . . . . 0.408 ' HB2' ' O ' ' A' ' 93' ' ' ARG . 36.4 m-80 -57.36 -39.92 76.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.184 -0.916 . . . . 0.0 110.117 174.689 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -78.57 -8.31 58.47 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.505 -0.77 . . . . 0.0 112.55 -177.536 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . 0.625 ' HG2' ' O ' ' A' ' 94' ' ' ILE . 31.5 mmm180 . . . . . 0 C--N 1.329 -0.315 0 CA-C-O 120.974 0.416 . . . . 0.0 110.282 179.079 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 42' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.444 -0.813 0 CA-C-O 120.116 -0.269 . . . . 0.0 112.514 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B ' 43' ' ' PRO . . . . . 0.561 ' HD2' ' SD ' ' B' ' 46' ' ' MET . 43.7 Cg_endo -68.48 173.96 9.03 Favored 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.609 2.206 . . . . 0.0 111.796 175.536 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 44' ' ' ILE . . . . . 0.417 ' HB ' HG13 ' B' ' 72' ' ' VAL . 21.0 pt -49.61 -39.51 14.26 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.457 0 N-CA-C 113.08 0.77 . . . . 0.0 113.08 -173.033 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 45' ' ' ARG . . . . . 0.495 ' HA ' HD13 ' B' ' 80' ' ' ILE . 98.6 mtt180 -63.91 -44.66 92.27 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.244 0.545 . . . . 0.0 110.813 179.581 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 46' ' ' MET . . . . . 0.608 ' HG2' ' HA ' ' A' ' 57' ' ' THR . 62.5 mtp -72.13 -23.35 61.3 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.984 179.673 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 47' ' ' VAL . . . . . 0.503 HG23 ' O ' ' B' ' 43' ' ' PRO . 92.4 t -63.34 -47.92 89.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.429 -0.351 . . . . 0.0 110.326 175.198 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 64.8 mt -67.03 -32.73 74.14 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.502 -0.317 . . . . 0.0 110.684 178.218 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -64.72 -51.6 61.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.192 177.462 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 50' ' ' ILE . . . . . 0.43 ' O ' ' HB3' ' B' ' 53' ' ' PHE . 14.9 tt -71.46 -24.11 23.41 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-O 121.001 0.429 . . . . 0.0 110.287 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 51' ' ' LEU . . . . . 0.428 ' O ' ' HG2' ' B' ' 55' ' ' ARG . 14.6 tp -60.58 -57.29 13.34 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.129 -0.487 . . . . 0.0 109.829 174.848 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -58.82 -38.17 78.05 Favored 'General case' 0 CA--C 1.518 -0.286 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.459 178.691 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 53' ' ' PHE . . . . . 0.477 ' HB2' ' HB2' ' A' ' 53' ' ' PHE . 42.9 t80 -51.23 -61.1 2.44 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.633 -0.712 . . . . 0.0 109.834 173.569 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 54' ' ' LEU . . . . . . . . . . . . . 92.2 mt -68.22 -16.4 63.96 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.902 -177.804 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 55' ' ' ARG . . . . . 0.428 ' HG2' ' O ' ' B' ' 51' ' ' LEU . 23.9 mmm180 -75.4 -46.31 33.68 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.927 0.394 . . . . 0.0 111.272 177.634 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 56' ' ' PHE . . . . . 0.633 ' CZ ' ' HA ' ' A' ' 84' ' ' PHE . 89.4 m-85 -96.15 -6.38 38.48 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.59 -174.74 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 57' ' ' THR . . . . . 0.602 ' HA ' ' HG2' ' A' ' 46' ' ' MET . 81.7 p -102.19 -34.62 9.19 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.133 0.492 . . . . 0.0 111.211 175.041 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -135.56 -176.95 4.45 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.828 -0.624 . . . . 0.0 111.499 -171.267 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 59' ' ' ILE . . . . . . . . . . . . . 70.2 mt -116.14 127.6 73.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 115.715 -0.675 . . . . 0.0 109.856 178.55 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 86.0 tttt 57.1 83.99 0.21 Allowed Pre-proline 0 N--CA 1.465 0.296 0 O-C-N 123.58 0.55 . . . . 0.0 110.23 -177.46 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 61' ' ' PRO . . . . . . . . . . . . . 82.7 Cg_exo -40.83 -82.66 0.02 OUTLIER 'Trans proline' 0 C--N 1.348 0.547 0 C-N-CA 124.025 3.15 . . . . 0.0 114.8 -169.19 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 62' ' ' SER . . . . . 0.574 ' O ' HG12 ' B' ' 66' ' ' ILE . 72.5 m -166.55 136.17 3.1 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 109.3 -0.629 . . . . 0.0 109.3 -177.443 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -64.58 -31.19 72.3 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.538 -175.833 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -68.27 -40.76 87.36 Favored Glycine 0 N--CA 1.452 -0.237 0 C-N-CA 120.667 -0.777 . . . . 0.0 111.645 176.897 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 65' ' ' LEU . . . . . 0.482 HD23 ' HB2' ' B' ' 62' ' ' SER . 4.5 mm? -67.62 -38.11 83.45 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 110.086 -0.338 . . . . 0.0 110.086 177.192 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 66' ' ' ILE . . . . . 0.574 HG12 ' O ' ' B' ' 62' ' ' SER . 48.3 mm -66.43 -32.28 57.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 121.256 0.55 . . . . 0.0 110.322 176.721 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 67' ' ' ASN . . . . . . . . . . . . . 27.2 t-20 -62.34 -43.82 97.93 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.768 176.606 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 68' ' ' ARG . . . . . . . . . . . . . 42.3 ttm180 -85.26 -14.64 46.05 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.281 0.562 . . . . 0.0 110.491 -178.83 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 69' ' ' TRP . . . . . 0.516 ' NE1' HD11 ' A' ' 95' ' ' ILE . 14.0 t90 -57.11 -48.23 79.13 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.378 -0.828 . . . . 0.0 110.869 179.431 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . -78.08 -3.0 84.36 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.854 -0.689 . . . . 0.0 112.367 178.578 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 71' ' ' SER . . . . . . . . . . . . . 18.9 t -91.54 -14.07 30.97 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 109.68 -0.489 . . . . 0.0 109.68 178.37 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 72' ' ' VAL . . . . . 0.417 HG13 ' HB ' ' B' ' 44' ' ' ILE . 66.4 t -68.58 130.55 33.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 115.824 -0.625 . . . . 0.0 109.571 175.822 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 73' ' ' GLY . . . . . . . . . . . . . . . -60.77 121.95 28.21 Favored Glycine 0 N--CA 1.441 -0.971 0 N-CA-C 110.379 -1.089 . . . . 0.0 110.379 175.496 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 74' ' ' LYS . . . . . 0.518 ' O ' ' HG2' ' B' ' 78' ' ' MET . 11.8 ptmm? -59.56 -31.49 69.48 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.701 0.25 . . . . 0.0 111.203 -175.939 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 75' ' ' LYS . . . . . . . . . . . . . 51.2 tptt -64.36 -47.38 79.5 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.883 0.373 . . . . 0.0 110.203 173.646 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 76' ' ' GLU . . . . . 0.495 ' O ' HG13 ' B' ' 80' ' ' ILE . 26.7 tp10 -60.29 -44.52 95.3 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.697 -0.683 . . . . 0.0 109.716 177.602 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 77' ' ' ALA . . . . . 0.419 ' O ' HG12 ' B' ' 81' ' ' ILE . . . -57.3 -43.62 83.38 Favored 'General case' 0 N--CA 1.456 -0.146 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.785 178.296 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 78' ' ' MET . . . . . 0.518 ' HG2' ' O ' ' B' ' 74' ' ' LYS . 69.1 mmm -55.94 -42.29 75.95 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.675 177.669 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 79' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -73.31 -40.92 64.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.865 -179.685 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 80' ' ' ILE . . . . . 0.495 HD13 ' HA ' ' B' ' 45' ' ' ARG . 90.3 mt -60.96 -50.76 79.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.524 178.227 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 81' ' ' ILE . . . . . 0.419 HG12 ' O ' ' B' ' 77' ' ' ALA . 46.0 mm -62.77 -36.49 75.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.039 -178.673 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 82' ' ' LYS . . . . . 0.424 ' O ' ' HD3' ' B' ' 86' ' ' LYS . 4.5 tmmm? -61.28 -53.65 54.08 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-O 120.986 0.422 . . . . 0.0 110.086 178.105 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 83' ' ' LYS . . . . . . . . . . . . . 14.7 ptmm? -72.42 -20.09 61.48 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.588 -177.873 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 84' ' ' PHE . . . . . 0.622 ' HA ' ' CZ ' ' A' ' 56' ' ' PHE . 1.8 t80 -67.84 -52.51 35.89 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.036 -0.529 . . . . 0.0 109.654 177.46 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 85' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -61.81 -39.95 93.56 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.979 -179.733 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 86' ' ' LYS . . . . . 0.424 ' HD3' ' O ' ' B' ' 82' ' ' LYS . 5.8 mptp? -64.62 -37.67 88.38 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.522 -179.643 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 87' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -72.73 -37.3 67.79 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.911 0.386 . . . . 0.0 109.964 178.733 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 88' ' ' LEU . . . . . 0.484 ' HG ' ' O ' ' B' ' 84' ' ' PHE . 94.2 mt -59.27 -43.89 92.46 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.868 -0.606 . . . . 0.0 110.161 175.067 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 89' ' ' ALA . . . . . 0.524 ' O ' ' HG3' ' B' ' 93' ' ' ARG . . . -61.3 -45.59 93.81 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.687 178.301 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 90' ' ' ALA . . . . . 0.595 ' O ' HG13 ' B' ' 94' ' ' ILE . . . -60.31 -50.95 71.61 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.843 178.881 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 91' ' ' MET . . . . . 0.443 ' O ' HG12 ' B' ' 95' ' ' ILE . 74.7 mtm -62.97 -35.63 80.8 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.922 -179.358 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 92' ' ' LEU . . . . . . . . . . . . . 58.0 tp -59.05 -47.49 85.03 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.498 176.09 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 93' ' ' ARG . . . . . 0.524 ' HG3' ' O ' ' B' ' 89' ' ' ALA . 21.7 mtm180 -61.04 -32.7 72.32 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.403 179.029 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 94' ' ' ILE . . . . . 0.634 ' O ' ' HG2' ' B' ' 98' ' ' ARG . 26.0 mt -72.2 -32.57 43.55 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.386 0 C-N-CA 120.816 -0.354 . . . . 0.0 110.672 178.564 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 95' ' ' ILE . . . . . 0.519 HD11 ' NE1' ' A' ' 69' ' ' TRP . 15.7 mm -56.43 -44.66 80.8 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.432 0 CA-C-O 121.485 0.659 . . . . 0.0 109.225 173.209 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 96' ' ' ASN . . . . . 0.42 ' HB2' ' O ' ' B' ' 93' ' ' ARG . 37.5 m-80 -57.11 -40.07 76.31 Favored 'General case' 0 C--O 1.235 0.334 0 CA-C-N 115.148 -0.933 . . . . 0.0 110.15 174.548 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 97' ' ' ALA . . . . . . . . . . . . . . . -78.59 -8.17 58.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.551 -0.749 . . . . 0.0 112.516 -177.577 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 98' ' ' ARG . . . . . 0.634 ' HG2' ' O ' ' B' ' 94' ' ' ILE . 31.6 mmm180 . . . . . 0 C--N 1.327 -0.395 0 CA-C-O 120.923 0.392 . . . . 0.0 110.276 178.826 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.445 -0.708 0 N-CA-C 111.734 -0.547 . . . . 0.0 111.734 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.564 ' O ' HG23 ' A' ' 47' ' ' VAL . 24.3 Cg_exo -64.94 165.25 21.93 Favored 'Trans proline' 0 C--N 1.344 0.303 0 C-N-CA 122.831 2.354 . . . . 0.0 111.696 176.322 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.465 HG13 ' HD3' ' A' ' 45' ' ' ARG . 12.1 pt -57.23 -35.09 47.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 N-CA-C 112.432 0.53 . . . . 0.0 112.432 -172.366 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . 0.465 ' HD3' HG13 ' A' ' 44' ' ' ILE . 0.1 OUTLIER -61.88 -48.85 78.64 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-O 121.166 0.507 . . . . 0.0 110.148 175.965 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . 0.532 ' O ' HG13 ' A' ' 50' ' ' ILE . 55.3 ttm -62.75 -33.24 74.74 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.73 179.243 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.564 HG23 ' O ' ' A' ' 43' ' ' PRO . 97.0 t -59.51 -46.24 93.12 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.504 -0.316 . . . . 0.0 110.817 178.225 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 10.3 mp -65.56 -31.9 73.19 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.773 0.321 . . . . 0.0 110.951 177.742 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -67.32 -45.84 75.27 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.771 176.413 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.532 HG13 ' O ' ' A' ' 46' ' ' MET . 58.8 mt -65.92 -35.62 75.55 Favored 'Isoleucine or valine' 0 C--O 1.233 0.207 0 CA-C-O 121.226 0.536 . . . . 0.0 109.727 176.933 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.411 HD22 ' NE1' ' A' ' 69' ' ' TRP . 9.0 tp -57.1 -55.25 37.14 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.381 -0.827 . . . . 0.0 110.507 175.719 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -57.02 -36.22 70.18 Favored 'General case' 0 C--O 1.232 0.136 0 CA-C-O 121.148 0.499 . . . . 0.0 110.731 -179.767 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 89.2 t80 -60.18 -58.13 9.86 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.672 -0.695 . . . . 0.0 109.899 176.63 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 85.8 mt -69.86 -6.38 32.22 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.521 -179.268 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 29.1 tpt180 -92.45 -36.5 13.07 Favored 'General case' 0 N--CA 1.427 -1.623 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.882 -178.804 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 81.2 m-85 -103.85 -24.06 13.33 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 112.146 0.425 . . . . 0.0 112.146 -177.099 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . 0.405 HG22 ' HG3' ' B' ' 46' ' ' MET . 42.5 p -89.4 -27.18 20.6 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.255 0.55 . . . . 0.0 110.047 178.796 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -135.53 -179.55 5.71 Favored 'General case' 0 N--CA 1.449 -0.522 0 CA-C-N 115.495 -0.775 . . . . 0.0 110.859 -174.872 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 65.5 mt -119.85 129.85 74.91 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-N 115.902 -0.59 . . . . 0.0 109.507 176.404 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 26.2 tptp 66.99 92.19 0.07 OUTLIER Pre-proline 0 C--O 1.233 0.213 0 O-C-N 123.922 0.764 . . . . 0.0 110.962 -178.458 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 31.2 Cg_exo -60.18 150.33 80.16 Favored 'Trans proline' 0 C--O 1.237 0.473 0 C-N-CA 123.015 2.477 . . . . 0.0 112.36 178.543 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 16.4 m -59.96 142.9 52.96 Favored 'General case' 0 C--O 1.236 0.371 0 CA-C-N 115.442 -0.799 . . . . 0.0 111.282 -178.693 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 95.4 mt -60.15 -28.25 67.75 Favored 'General case' 0 C--O 1.223 -0.316 0 CA-C-N 114.997 -1.001 . . . . 0.0 112.668 -172.767 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -61.25 -43.48 99.33 Favored Glycine 0 C--O 1.237 0.29 0 C-N-CA 120.384 -0.912 . . . . 0.0 111.71 178.179 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.497 ' O ' ' HB2' ' A' ' 69' ' ' TRP . 3.9 mm? -67.76 -38.38 83.39 Favored 'General case' 0 C--O 1.22 -0.477 0 N-CA-C 109.882 -0.414 . . . . 0.0 109.882 176.639 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 50.8 mm -66.82 -38.0 80.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.339 -179.745 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 6.5 m120 -66.64 -37.83 85.64 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.376 -0.374 . . . . 0.0 111.119 178.718 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . 0.421 ' O ' HG23 ' A' ' 72' ' ' VAL . 34.7 ttm180 -83.45 -19.8 35.22 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.138 0.494 . . . . 0.0 110.193 177.878 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' TRP . . . . . 0.607 ' NE1' HD11 ' B' ' 95' ' ' ILE . 11.6 t90 -58.52 -48.87 79.42 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.317 -0.856 . . . . 0.0 110.324 177.032 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -75.83 -5.14 78.73 Favored Glycine 0 N--CA 1.451 -0.363 0 CA-C-N 115.824 -0.625 . . . . 0.0 112.363 176.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 24.9 t -92.39 -17.78 24.17 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 109.782 -0.451 . . . . 0.0 109.782 178.432 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.445 HG13 ' HB ' ' A' ' 44' ' ' ILE . 84.4 t -63.66 135.5 27.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.187 177.259 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -57.55 122.39 29.09 Favored Glycine 0 N--CA 1.438 -1.202 0 N-CA-C 110.285 -1.126 . . . . 0.0 110.285 173.743 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.586 ' O ' ' HG2' ' A' ' 78' ' ' MET . 48.4 mttp -60.72 -35.97 77.68 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-O 120.931 0.396 . . . . 0.0 110.164 -175.407 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 56.6 tptt -63.98 -45.15 90.32 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.416 -0.811 . . . . 0.0 110.379 174.458 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . 0.507 ' O ' HG13 ' A' ' 80' ' ' ILE . 4.0 tp10 -59.68 -47.47 85.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.531 -0.759 . . . . 0.0 109.81 178.399 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -54.97 -41.84 71.65 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.926 179.175 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . 0.586 ' HG2' ' O ' ' A' ' 74' ' ' LYS . 64.1 mmm -57.66 -47.64 81.72 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.322 178.474 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 28.8 mt-10 -69.79 -37.18 76.23 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.847 -179.1 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.507 HG13 ' O ' ' A' ' 76' ' ' GLU . 96.7 mt -61.69 -52.38 61.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.689 178.066 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.425 HG13 ' HB2' ' B' ' 92' ' ' LEU . 45.6 mm -60.37 -37.03 72.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.904 -179.016 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 39.6 ttpt -61.83 -48.88 78.56 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.766 177.592 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 35.0 mmtp -69.96 -32.06 70.1 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.681 178.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . 0.481 ' O ' ' HG ' ' A' ' 88' ' ' LEU . 2.1 t80 -61.77 -52.59 63.61 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.812 -0.631 . . . . 0.0 109.818 179.435 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 99.7 mttt -59.61 -39.08 83.08 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.74 178.392 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 59.5 tttm -63.34 -42.23 98.92 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.805 -0.634 . . . . 0.0 111.192 -179.336 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -73.35 -33.87 65.32 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 110.018 -0.364 . . . . 0.0 110.018 -178.524 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.481 ' HG ' ' O ' ' A' ' 84' ' ' PHE . 90.8 mt -58.86 -42.55 89.68 Favored 'General case' 0 CA--C 1.52 -0.188 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.052 173.461 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . 0.488 ' O ' ' HG3' ' A' ' 93' ' ' ARG . . . -58.96 -44.1 91.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.687 177.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . 0.558 ' O ' HG13 ' A' ' 94' ' ' ILE . . . -61.43 -50.47 72.7 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.813 178.529 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' MET . . . . . 0.4 ' O ' HG12 ' A' ' 95' ' ' ILE . 76.3 mtm -63.87 -35.08 79.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.181 -178.58 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.408 ' HB2' HG13 ' B' ' 81' ' ' ILE . 57.6 tp -59.59 -44.52 93.34 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.219 0.533 . . . . 0.0 110.589 176.293 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . 0.488 ' HG3' ' O ' ' A' ' 89' ' ' ALA . 20.7 mtm180 -67.01 -29.78 69.71 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.7 -179.588 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . 0.558 HG13 ' O ' ' A' ' 90' ' ' ALA . 45.2 mt -72.81 -33.03 42.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.719 -0.219 . . . . 0.0 110.86 177.733 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.641 HD11 ' NE1' ' B' ' 69' ' ' TRP . 20.0 mm -57.87 -49.82 79.82 Favored 'Isoleucine or valine' 0 C--O 1.232 0.162 0 CA-C-O 121.538 0.685 . . . . 0.0 109.186 172.926 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 41.1 m-80 -67.55 -25.24 65.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.004 -0.998 . . . . 0.0 110.877 179.466 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -71.32 -12.54 61.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.056 0.455 . . . . 0.0 110.977 -179.844 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . 0.42 ' HG2' ' O ' ' A' ' 94' ' ' ILE . 26.3 mmt180 . . . . . 0 C--N 1.327 -0.376 0 CA-C-O 120.98 0.419 . . . . 0.0 110.159 177.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 42' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.445 -0.719 0 N-CA-C 111.88 -0.488 . . . . 0.0 111.88 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B ' 43' ' ' PRO . . . . . 0.56 ' O ' HG23 ' B' ' 47' ' ' VAL . 24.0 Cg_exo -65.12 165.3 22.26 Favored 'Trans proline' 0 C--N 1.344 0.342 0 C-N-CA 122.842 2.362 . . . . 0.0 111.695 176.352 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 44' ' ' ILE . . . . . 0.465 HG13 ' HD3' ' B' ' 45' ' ' ARG . 12.6 pt -57.32 -35.01 47.51 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 N-CA-C 112.41 0.522 . . . . 0.0 112.41 -172.218 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 45' ' ' ARG . . . . . 0.465 ' HD3' HG13 ' B' ' 44' ' ' ILE . 0.1 OUTLIER -61.87 -48.82 78.78 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-O 121.181 0.515 . . . . 0.0 110.144 175.931 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 46' ' ' MET . . . . . 0.528 ' O ' HG13 ' B' ' 50' ' ' ILE . 55.5 ttm -62.95 -33.11 74.66 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.701 179.304 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 47' ' ' VAL . . . . . 0.56 HG23 ' O ' ' B' ' 43' ' ' PRO . 99.4 t -59.46 -46.28 92.94 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.493 -0.321 . . . . 0.0 110.807 178.019 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 10.3 mp -65.6 -31.81 73.05 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.796 0.332 . . . . 0.0 111.016 177.878 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -67.28 -46.01 74.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.749 176.389 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 50' ' ' ILE . . . . . 0.528 HG13 ' O ' ' B' ' 46' ' ' MET . 58.4 mt -65.82 -35.59 75.51 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-O 121.211 0.529 . . . . 0.0 109.723 176.861 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 51' ' ' LEU . . . . . 0.421 HD22 ' NE1' ' B' ' 69' ' ' TRP . 9.0 tp -57.18 -55.24 37.26 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.394 -0.821 . . . . 0.0 110.474 175.774 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -57.04 -36.19 70.19 Favored 'General case' 0 C--O 1.231 0.13 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.736 -179.789 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 53' ' ' PHE . . . . . . . . . . . . . 89.4 t80 -60.27 -58.05 10.19 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.674 -0.694 . . . . 0.0 109.864 176.661 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 54' ' ' LEU . . . . . . . . . . . . . 85.6 mt -69.83 -6.39 32.12 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.575 -179.329 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 55' ' ' ARG . . . . . . . . . . . . . 29.2 tpt180 -92.44 -36.56 13.04 Favored 'General case' 0 N--CA 1.426 -1.628 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.966 -178.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 56' ' ' PHE . . . . . . . . . . . . . 81.0 m-85 -103.72 -24.14 13.37 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 112.12 0.415 . . . . 0.0 112.12 -176.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 57' ' ' THR . . . . . . . . . . . . . 41.2 p -89.33 -27.37 20.55 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.122 0.487 . . . . 0.0 109.999 178.823 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -135.59 179.78 6.12 Favored 'General case' 0 N--CA 1.449 -0.512 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.831 -174.739 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 59' ' ' ILE . . . . . . . . . . . . . 65.0 mt -119.12 130.06 74.38 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 CA-C-N 115.944 -0.571 . . . . 0.0 109.58 176.278 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 26.3 tptp 67.0 92.36 0.07 OUTLIER Pre-proline 0 CA--C 1.53 0.21 0 O-C-N 123.938 0.774 . . . . 0.0 110.96 -178.453 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 61' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_exo -60.35 150.13 82.14 Favored 'Trans proline' 0 C--O 1.236 0.385 0 C-N-CA 122.942 2.428 . . . . 0.0 112.189 178.436 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 14.5 m -60.12 143.15 52.93 Favored 'General case' 0 C--O 1.237 0.396 0 CA-C-N 115.346 -0.843 . . . . 0.0 111.297 -178.612 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 95.3 mt -60.45 -28.18 68.11 Favored 'General case' 0 C--O 1.225 -0.223 0 CA-C-N 115.01 -0.995 . . . . 0.0 112.707 -172.321 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -61.78 -43.23 99.51 Favored Glycine 0 C--O 1.236 0.281 0 C-N-CA 120.381 -0.914 . . . . 0.0 111.651 178.465 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 65' ' ' LEU . . . . . 0.499 ' O ' ' HB2' ' B' ' 69' ' ' TRP . 3.9 mm? -67.54 -38.42 84.17 Favored 'General case' 0 C--O 1.221 -0.441 0 N-CA-C 109.849 -0.426 . . . . 0.0 109.849 176.474 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 66' ' ' ILE . . . . . . . . . . . . . 50.7 mm -66.98 -37.95 80.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.407 -179.709 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 67' ' ' ASN . . . . . . . . . . . . . 6.5 m120 -66.6 -37.73 85.5 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.33 -0.396 . . . . 0.0 111.178 178.546 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 68' ' ' ARG . . . . . 0.421 ' O ' HG23 ' B' ' 72' ' ' VAL . 34.6 ttm180 -83.61 -19.95 34.57 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.11 0.481 . . . . 0.0 110.048 177.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 69' ' ' TRP . . . . . 0.641 ' NE1' HD11 ' A' ' 95' ' ' ILE . 11.4 t90 -58.47 -48.67 79.98 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.284 -0.871 . . . . 0.0 110.281 177.035 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . -76.5 -4.38 80.3 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.895 -0.669 . . . . 0.0 112.258 177.085 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 71' ' ' SER . . . . . . . . . . . . . 26.0 t -92.49 -18.21 23.49 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 109.635 -0.505 . . . . 0.0 109.635 178.222 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 72' ' ' VAL . . . . . 0.43 HG13 ' HB ' ' B' ' 44' ' ' ILE . 85.8 t -63.49 135.81 27.07 Favored 'Isoleucine or valine' 0 C--O 1.235 0.3 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.137 177.579 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 73' ' ' GLY . . . . . . . . . . . . . . . -58.0 122.41 29.44 Favored Glycine 0 N--CA 1.44 -1.06 0 N-CA-C 110.328 -1.109 . . . . 0.0 110.328 173.856 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 74' ' ' LYS . . . . . 0.584 ' O ' ' HG2' ' B' ' 78' ' ' MET . 48.2 mttp -60.79 -35.91 77.65 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-O 120.988 0.423 . . . . 0.0 110.054 -175.145 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 75' ' ' LYS . . . . . . . . . . . . . 56.8 tptt -63.98 -45.22 90.06 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.394 -0.821 . . . . 0.0 110.399 174.485 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 76' ' ' GLU . . . . . 0.53 ' O ' HG13 ' B' ' 80' ' ' ILE . 4.0 tp10 -59.49 -47.33 85.9 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.559 -0.746 . . . . 0.0 109.892 178.296 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 77' ' ' ALA . . . . . . . . . . . . . . . -55.23 -41.69 72.42 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.997 179.235 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 78' ' ' MET . . . . . 0.584 ' HG2' ' O ' ' B' ' 74' ' ' LYS . 63.3 mmm -57.71 -47.49 82.24 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.351 178.453 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 79' ' ' GLU . . . . . . . . . . . . . 29.9 mt-10 -69.81 -37.31 76.22 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.544 -0.753 . . . . 0.0 110.769 -179.123 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 80' ' ' ILE . . . . . 0.53 HG13 ' O ' ' B' ' 76' ' ' GLU . 97.0 mt -61.84 -52.28 62.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.706 178.276 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 81' ' ' ILE . . . . . 0.408 HG13 ' HB2' ' A' ' 92' ' ' LEU . 45.8 mm -60.42 -36.8 71.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.934 -179.155 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 82' ' ' LYS . . . . . . . . . . . . . 39.7 ttpt -62.0 -48.92 78.16 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.709 177.524 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 83' ' ' LYS . . . . . . . . . . . . . 34.9 mmtp -70.08 -31.85 69.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.732 179.03 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 84' ' ' PHE . . . . . 0.481 ' O ' ' HG ' ' B' ' 88' ' ' LEU . 2.1 t80 -61.78 -52.63 63.43 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.787 -0.642 . . . . 0.0 109.748 179.375 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 85' ' ' LYS . . . . . . . . . . . . . 99.7 mttt -59.9 -38.73 83.13 Favored 'General case' 0 C--O 1.233 0.218 0 CA-C-N 115.916 -0.583 . . . . 0.0 110.75 178.522 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 86' ' ' LYS . . . . . . . . . . . . . 59.4 tttm -63.41 -42.59 98.76 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.874 -0.603 . . . . 0.0 111.153 -179.591 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 87' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -72.86 -34.1 66.52 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.826 0.346 . . . . 0.0 110.103 -178.495 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 88' ' ' LEU . . . . . 0.481 ' HG ' ' O ' ' B' ' 84' ' ' PHE . 91.2 mt -58.75 -42.57 89.16 Favored 'General case' 0 CA--C 1.521 -0.155 0 CA-C-N 115.927 -0.578 . . . . 0.0 110.021 173.531 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 89' ' ' ALA . . . . . 0.488 ' O ' ' HG3' ' B' ' 93' ' ' ARG . . . -59.03 -44.12 91.7 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.582 -0.736 . . . . 0.0 110.563 178.072 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 90' ' ' ALA . . . . . 0.558 ' O ' HG13 ' B' ' 94' ' ' ILE . . . -61.55 -50.41 72.76 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.77 178.66 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 91' ' ' MET . . . . . . . . . . . . . 75.8 mtm -63.88 -35.13 79.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.168 -178.616 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 92' ' ' LEU . . . . . 0.425 ' HB2' HG13 ' A' ' 81' ' ' ILE . 57.4 tp -59.41 -44.65 92.8 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.207 0.527 . . . . 0.0 110.626 176.372 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 93' ' ' ARG . . . . . 0.488 ' HG3' ' O ' ' B' ' 89' ' ' ALA . 20.7 mtm180 -66.77 -30.22 70.37 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.675 -179.455 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 94' ' ' ILE . . . . . 0.558 HG13 ' O ' ' B' ' 90' ' ' ALA . 45.1 mt -72.43 -33.09 44.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.61 -0.268 . . . . 0.0 110.913 177.761 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 95' ' ' ILE . . . . . 0.607 HD11 ' NE1' ' A' ' 69' ' ' TRP . 19.9 mm -57.87 -50.0 79.2 Favored 'Isoleucine or valine' 0 C--O 1.232 0.183 0 CA-C-O 121.645 0.736 . . . . 0.0 109.1 172.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 96' ' ' ASN . . . . . . . . . . . . . 42.0 m-80 -67.49 -25.44 65.86 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 114.978 -1.01 . . . . 0.0 110.934 179.49 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 97' ' ' ALA . . . . . . . . . . . . . . . -70.94 -13.07 61.88 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.924 0.392 . . . . 0.0 110.91 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 98' ' ' ARG . . . . . 0.435 ' HG2' ' O ' ' B' ' 94' ' ' ILE . 26.5 mmt180 . . . . . 0 C--N 1.327 -0.395 0 CA-C-O 120.983 0.421 . . . . 0.0 110.176 178.067 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.445 -0.712 0 CA-C-O 120.322 -0.154 . . . . 0.0 112.783 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.639 ' HD2' ' SD ' ' A' ' 46' ' ' MET . 37.6 Cg_endo -66.69 176.8 3.93 Favored 'Trans proline' 0 C--N 1.343 0.272 0 C-N-CA 122.632 2.221 . . . . 0.0 111.497 175.049 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.433 ' HB ' HG22 ' A' ' 72' ' ' VAL . 23.0 pt -52.54 -38.85 27.56 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.381 0 N-CA-C 112.275 0.472 . . . . 0.0 112.275 -172.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . 0.404 HH11 ' HD3' ' A' ' 45' ' ' ARG . 39.4 mtp180 -54.81 -53.68 52.09 Favored 'General case' 0 N--CA 1.463 0.199 0 CA-C-O 121.39 0.614 . . . . 0.0 110.949 175.35 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . 0.639 ' SD ' ' HD2' ' A' ' 43' ' ' PRO . 85.0 mtp -70.95 -19.49 62.56 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.449 -0.796 . . . . 0.0 111.156 -176.534 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.54 HG23 ' O ' ' A' ' 43' ' ' PRO . 97.1 t -67.17 -46.93 83.15 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.187 0 N-CA-C 110.131 -0.322 . . . . 0.0 110.131 176.804 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.4 HD13 ' HA ' ' A' ' 48' ' ' LEU . 4.0 mm? -65.29 -34.67 78.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.487 -0.324 . . . . 0.0 110.355 176.153 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -64.69 -52.48 56.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.559 178.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 14.4 tt -68.52 -28.77 41.59 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-O 120.954 0.407 . . . . 0.0 110.308 -179.522 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.571 ' O ' ' HG2' ' A' ' 55' ' ' ARG . 13.6 tp -62.53 -53.72 50.46 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.059 176.124 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.486 ' HB1' ' CZ ' ' B' ' 84' ' ' PHE . . . -54.59 -41.04 69.43 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.76 -0.655 . . . . 0.0 110.502 179.011 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 84.7 t80 -57.93 -57.61 12.04 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.626 -0.715 . . . . 0.0 109.842 173.457 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 96.0 mt -71.03 7.3 1.24 Allowed 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 112.478 0.547 . . . . 0.0 112.478 -177.787 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.571 ' HG2' ' O ' ' A' ' 51' ' ' LEU . 14.6 mmm180 -111.99 -46.18 3.24 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 121.862 -0.524 . . . . 0.0 111.591 172.519 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 4.7 t80 -79.23 -15.76 57.54 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.905 0.383 . . . . 0.0 110.563 -178.059 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 43.5 p -98.45 5.56 47.96 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 109.807 -0.442 . . . . 0.0 109.807 174.06 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.496 ' O ' ' HB ' ' A' ' 59' ' ' ILE . . . 65.87 -158.2 0.27 Allowed 'General case' 0 N--CA 1.462 0.14 0 CA-C-N 115.004 -0.998 . . . . 0.0 110.282 -172.165 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.496 ' HB ' ' O ' ' A' ' 58' ' ' ALA . 79.8 mt 76.67 141.15 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.465 0.281 0 O-C-N 123.51 0.506 . . . . 0.0 110.097 -176.38 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 64.3 tttp -79.35 117.55 67.66 Favored Pre-proline 0 C--N 1.324 -0.53 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.135 178.581 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 34.9 Cg_exo -60.36 123.63 13.5 Favored 'Trans proline' 0 N--CA 1.461 -0.427 0 C-N-CA 122.375 2.05 . . . . 0.0 111.184 177.078 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 13.5 m -56.94 146.84 25.48 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.973 -178.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 85.4 mt -61.34 -22.09 64.6 Favored 'General case' 0 C--O 1.225 -0.226 0 CA-C-N 115.405 -0.816 . . . . 0.0 112.536 -171.277 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -59.88 -44.29 97.23 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.222 -0.99 . . . . 0.0 111.141 174.414 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -69.33 -40.67 77.46 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 109.908 -0.404 . . . . 0.0 109.908 177.686 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.503 ' O ' ' HB3' ' A' ' 69' ' ' TRP . 48.8 mm -63.67 -34.96 71.05 Favored 'Isoleucine or valine' 0 C--O 1.236 0.38 0 CA-C-O 121.287 0.565 . . . . 0.0 110.913 179.376 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 2.0 m120 -66.89 -40.88 87.88 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.837 -0.619 . . . . 0.0 110.991 177.24 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . 0.437 ' HB3' HG21 ' A' ' 47' ' ' VAL . 55.5 mtt180 -74.9 -31.48 61.58 Favored 'General case' 0 CA--C 1.519 -0.219 0 CA-C-O 121.202 0.525 . . . . 0.0 109.762 178.11 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' TRP . . . . . 0.631 ' CD1' HD11 ' B' ' 95' ' ' ILE . 45.0 t90 -53.1 -56.41 16.47 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 114.714 -1.13 . . . . 0.0 110.599 176.014 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -74.43 -5.03 71.37 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 121.082 -0.58 . . . . 0.0 113.179 177.707 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 72.7 m -84.33 -17.22 40.2 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.991 0.396 . . . . 0.0 110.557 177.348 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.433 HG22 ' HB ' ' A' ' 44' ' ' ILE . 14.2 t -71.32 127.85 33.76 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 N-CA-C 108.679 -0.86 . . . . 0.0 108.679 175.04 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . 0.456 ' O ' ' N ' ' A' ' 75' ' ' LYS . . . -77.55 44.9 2.3 Favored Glycine 0 CA--C 1.521 0.421 0 CA-C-O 119.359 -0.689 . . . . 0.0 114.398 -170.715 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.413 ' HE3' ' OD1' ' B' ' 96' ' ' ASN . 19.8 ptmt 49.72 -60.87 0.0 OUTLIER 'General case' 0 N--CA 1.484 1.272 0 C-N-CA 125.946 1.698 . . . . 0.0 115.334 177.485 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.465 ' HD3' ' C ' ' A' ' 75' ' ' LYS . 1.2 tmtp? -54.66 -52.92 60.83 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.439 0.638 . . . . 0.0 109.755 177.658 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 13.4 tp10 -50.93 -44.37 60.25 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 114.8 -1.091 . . . . 0.0 110.993 173.604 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -61.4 -37.06 82.1 Favored 'General case' 0 C--O 1.226 -0.174 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.733 179.8 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 65.0 mtt -59.63 -43.86 93.67 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.298 177.555 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -65.69 -42.84 90.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.699 176.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 88.6 mt -60.03 -54.21 37.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.793 179.06 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 46.8 mm -66.17 -35.86 76.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 116.035 -0.53 . . . . 0.0 111.334 -177.793 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 23.8 tptm -62.54 -48.81 77.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.856 0.36 . . . . 0.0 110.635 179.537 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 39.0 ttpt -70.29 -28.35 65.12 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.198 0.523 . . . . 0.0 110.245 179.772 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . 0.527 ' O ' ' HG ' ' A' ' 88' ' ' LEU . 14.5 t80 -64.88 -51.43 62.02 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.484 -0.78 . . . . 0.0 109.969 175.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . 0.44 ' HA ' HD12 ' A' ' 88' ' ' LEU . 98.5 mttt -58.88 -33.22 70.25 Favored 'General case' 0 C--O 1.232 0.184 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.053 175.776 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 27.1 tptp -64.54 -45.24 87.99 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.794 179.01 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -68.52 -36.68 79.19 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.051 0.453 . . . . 0.0 110.133 179.525 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.527 ' HG ' ' O ' ' A' ' 84' ' ' PHE . 93.2 mt -62.71 -42.14 99.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.75 177.136 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -60.26 -47.46 85.91 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.664 178.602 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . 0.608 ' O ' HG13 ' A' ' 94' ' ' ILE . . . -62.08 -45.56 92.97 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.719 178.685 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 6.2 tpt -64.16 -39.22 93.54 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.519 -177.265 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.433 ' O ' ' HB ' ' A' ' 95' ' ' ILE . 53.3 tp -60.05 -39.63 86.6 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.598 175.919 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . 0.484 ' HA ' ' ND2' ' A' ' 96' ' ' ASN . 94.2 mtt180 -71.5 -22.13 61.83 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.013 -0.539 . . . . 0.0 111.224 -179.618 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . 0.608 HG13 ' O ' ' A' ' 90' ' ' ALA . 11.4 mt -78.47 -28.81 14.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 C-N-CA 120.492 -0.483 . . . . 0.0 109.794 173.209 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.626 HD11 ' CD1' ' B' ' 69' ' ' TRP . 19.0 mm -60.61 -39.95 83.07 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.248 0 N-CA-C 109.231 -0.655 . . . . 0.0 109.231 170.404 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' ASN . . . . . 0.484 ' ND2' ' HA ' ' A' ' 93' ' ' ARG . 79.4 m-20 -59.76 -44.8 93.68 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.486 -0.779 . . . . 0.0 109.551 174.101 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -72.33 2.01 6.83 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.816 -0.629 . . . . 0.0 112.261 -179.691 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . 0.54 ' HG2' ' O ' ' A' ' 94' ' ' ILE . 5.6 mmp_? . . . . . 0 C--N 1.329 -0.297 0 CA-C-O 120.675 0.274 . . . . 0.0 110.529 176.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 42' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.445 -0.728 0 CA-C-O 120.238 -0.201 . . . . 0.0 112.726 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 43' ' ' PRO . . . . . 0.653 ' HD2' ' SD ' ' B' ' 46' ' ' MET . 38.2 Cg_endo -66.92 176.71 4.18 Favored 'Trans proline' 0 C--N 1.343 0.264 0 C-N-CA 122.682 2.255 . . . . 0.0 111.432 175.064 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 44' ' ' ILE . . . . . 0.433 ' HB ' HG22 ' B' ' 72' ' ' VAL . 23.4 pt -52.36 -38.87 26.52 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.415 0 N-CA-C 112.322 0.49 . . . . 0.0 112.322 -173.025 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 39.6 mtp180 -54.94 -53.53 54.45 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-O 121.438 0.637 . . . . 0.0 110.9 175.408 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 46' ' ' MET . . . . . 0.653 ' SD ' ' HD2' ' B' ' 43' ' ' PRO . 85.3 mtp -71.08 -19.55 62.46 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.489 -0.778 . . . . 0.0 111.131 -176.496 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 47' ' ' VAL . . . . . 0.543 HG23 ' O ' ' B' ' 43' ' ' PRO . 96.9 t -67.13 -46.96 83.18 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.191 0 N-CA-C 110.059 -0.349 . . . . 0.0 110.059 176.898 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 48' ' ' LEU . . . . . 0.427 HD13 ' HA ' ' B' ' 48' ' ' LEU . 4.0 mm? -65.28 -34.72 79.01 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.817 0.341 . . . . 0.0 110.431 176.144 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -64.56 -52.68 56.39 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.527 178.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 50' ' ' ILE . . . . . . . . . . . . . 14.4 tt -68.31 -28.75 41.86 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.183 0 CA-C-O 120.898 0.38 . . . . 0.0 110.371 -179.549 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 51' ' ' LEU . . . . . 0.574 ' O ' ' HG2' ' B' ' 55' ' ' ARG . 13.6 tp -62.51 -53.67 51.33 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.043 176.108 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 52' ' ' ALA . . . . . 0.464 ' HB1' ' CZ ' ' A' ' 84' ' ' PHE . . . -54.73 -40.87 69.72 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.53 179.083 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 53' ' ' PHE . . . . . . . . . . . . . 84.9 t80 -58.02 -57.59 12.14 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.618 -0.719 . . . . 0.0 109.916 173.385 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 54' ' ' LEU . . . . . . . . . . . . . 95.9 mt -70.95 7.14 1.25 Allowed 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 112.466 0.543 . . . . 0.0 112.466 -177.797 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 55' ' ' ARG . . . . . 0.574 ' HG2' ' O ' ' B' ' 51' ' ' LEU . 14.6 mmm180 -111.88 -46.39 3.24 Favored 'General case' 0 C--N 1.323 -0.563 0 O-C-N 121.864 -0.522 . . . . 0.0 111.516 172.61 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 56' ' ' PHE . . . . . . . . . . . . . 4.8 t80 -78.99 -15.9 57.64 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 120.889 0.376 . . . . 0.0 110.533 -177.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 57' ' ' THR . . . . . . . . . . . . . 43.6 p -98.25 5.57 48.25 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 109.791 -0.448 . . . . 0.0 109.791 174.16 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 58' ' ' ALA . . . . . 0.511 ' O ' ' HB ' ' B' ' 59' ' ' ILE . . . 65.68 -158.17 0.27 Allowed 'General case' 0 N--CA 1.461 0.116 0 CA-C-N 115.114 -0.948 . . . . 0.0 110.304 -171.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 59' ' ' ILE . . . . . 0.511 ' HB ' ' O ' ' B' ' 58' ' ' ALA . 80.2 mt 76.65 141.29 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.463 0.218 0 O-C-N 123.561 0.538 . . . . 0.0 110.125 -176.207 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 64.2 tttp -79.57 117.99 70.08 Favored Pre-proline 0 C--N 1.324 -0.536 0 N-CA-C 109.937 -0.394 . . . . 0.0 109.937 178.688 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 61' ' ' PRO . . . . . . . . . . . . . 33.7 Cg_exo -60.57 123.44 13.05 Favored 'Trans proline' 0 N--CA 1.462 -0.358 0 C-N-CA 122.337 2.024 . . . . 0.0 111.31 176.909 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 13.2 m -56.71 147.04 23.85 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.013 -178.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 85.4 mt -61.45 -22.15 64.79 Favored 'General case' 0 CA--C 1.52 -0.2 0 CA-C-N 115.409 -0.814 . . . . 0.0 112.622 -171.315 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -59.8 -44.53 96.94 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.207 -0.996 . . . . 0.0 111.069 174.557 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -68.9 -41.02 78.79 Favored 'General case' 0 C--O 1.223 -0.322 0 N-CA-C 109.96 -0.385 . . . . 0.0 109.96 177.721 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 66' ' ' ILE . . . . . 0.474 ' O ' ' HB3' ' B' ' 69' ' ' TRP . 49.3 mm -63.36 -34.97 70.37 Favored 'Isoleucine or valine' 0 C--O 1.236 0.35 0 CA-C-O 121.315 0.579 . . . . 0.0 110.909 179.324 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 67' ' ' ASN . . . . . . . . . . . . . 2.0 m120 -67.0 -40.58 87.38 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.987 177.31 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 68' ' ' ARG . . . . . 0.439 ' HB3' HG21 ' B' ' 47' ' ' VAL . 55.3 mtt180 -75.24 -31.15 60.73 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.182 0.515 . . . . 0.0 109.681 178.209 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 69' ' ' TRP . . . . . 0.626 ' CD1' HD11 ' A' ' 95' ' ' ILE . 45.1 t90 -53.54 -56.39 17.45 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 114.741 -1.118 . . . . 0.0 110.534 176.112 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . -74.37 -4.52 69.46 Favored Glycine 0 CA--C 1.52 0.405 0 CA-C-N 115.951 -0.568 . . . . 0.0 113.198 177.396 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 71' ' ' SER . . . . . . . . . . . . . 74.4 m -84.88 -17.17 38.75 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 117.06 0.43 . . . . 0.0 110.497 177.052 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 72' ' ' VAL . . . . . 0.433 HG22 ' HB ' ' B' ' 44' ' ' ILE . 14.4 t -71.29 128.06 33.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 N-CA-C 108.604 -0.888 . . . . 0.0 108.604 175.149 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 73' ' ' GLY . . . . . 0.457 ' O ' ' N ' ' B' ' 75' ' ' LYS . . . -77.59 45.07 2.34 Favored Glycine 0 C--O 1.225 -0.454 0 CA-C-O 119.336 -0.702 . . . . 0.0 114.431 -170.895 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 74' ' ' LYS . . . . . 0.409 ' HA ' ' CG2' ' A' ' 95' ' ' ILE . 19.8 ptmt 49.67 -61.15 0.0 OUTLIER 'General case' 0 N--CA 1.484 1.226 0 C-N-CA 125.923 1.689 . . . . 0.0 115.329 177.458 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 75' ' ' LYS . . . . . 0.485 ' HD3' ' C ' ' B' ' 75' ' ' LYS . 1.2 tmtp? -54.52 -52.69 61.21 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.402 0.62 . . . . 0.0 109.709 177.694 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 76' ' ' GLU . . . . . 0.416 ' HG2' HD12 ' B' ' 44' ' ' ILE . 13.5 tp10 -51.21 -44.27 61.58 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 114.777 -1.101 . . . . 0.0 110.939 173.796 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 77' ' ' ALA . . . . . . . . . . . . . . . -61.51 -36.67 81.17 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.726 179.863 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 78' ' ' MET . . . . . . . . . . . . . 66.1 mtt -60.02 -43.94 94.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.335 177.529 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 79' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -65.6 -42.88 91.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.669 176.882 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 80' ' ' ILE . . . . . . . . . . . . . 88.1 mt -59.89 -54.41 35.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.812 178.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 81' ' ' ILE . . . . . . . . . . . . . 46.9 mm -66.08 -36.06 76.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.29 -177.727 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 82' ' ' LYS . . . . . . . . . . . . . 23.8 tptm -62.32 -48.9 77.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.908 0.385 . . . . 0.0 110.679 179.462 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 83' ' ' LYS . . . . . . . . . . . . . 39.1 ttpt -70.18 -28.2 65.13 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.175 0.512 . . . . 0.0 110.222 179.825 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 84' ' ' PHE . . . . . 0.53 ' O ' ' HG ' ' B' ' 88' ' ' LEU . 14.6 t80 -65.01 -51.18 63.07 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.488 -0.778 . . . . 0.0 109.91 176.089 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 85' ' ' LYS . . . . . 0.451 ' HA ' HD12 ' B' ' 88' ' ' LEU . 98.4 mttt -59.0 -33.48 70.75 Favored 'General case' 0 N--CA 1.462 0.143 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.065 175.91 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 86' ' ' LYS . . . . . . . . . . . . . 27.1 tptp -64.28 -45.38 88.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.792 178.895 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 87' ' ' ASP . . . . . . . . . . . . . 35.6 t70 -68.45 -36.64 79.31 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.983 0.421 . . . . 0.0 110.093 179.562 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 88' ' ' LEU . . . . . 0.53 ' HG ' ' O ' ' B' ' 84' ' ' PHE . 93.6 mt -62.76 -42.12 99.53 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.703 177.224 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -60.22 -47.73 84.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.702 178.604 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 90' ' ' ALA . . . . . 0.594 ' O ' HG13 ' B' ' 94' ' ' ILE . . . -61.72 -45.77 92.55 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.72 178.542 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 91' ' ' MET . . . . . . . . . . . . . 6.2 tpt -64.02 -39.19 93.54 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.497 -177.162 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 92' ' ' LEU . . . . . 0.427 ' O ' ' HB ' ' B' ' 95' ' ' ILE . 53.2 tp -60.13 -39.52 86.57 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.59 176.017 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 93' ' ' ARG . . . . . 0.485 ' HA ' ' ND2' ' B' ' 96' ' ' ASN . 94.4 mtt180 -71.61 -22.11 61.75 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.144 -179.519 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 94' ' ' ILE . . . . . 0.594 HG13 ' O ' ' B' ' 90' ' ' ALA . 11.2 mt -78.44 -28.83 14.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 N-CA-C 109.745 -0.465 . . . . 0.0 109.745 173.29 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 95' ' ' ILE . . . . . 0.631 HD11 ' CD1' ' A' ' 69' ' ' TRP . 19.2 mm -60.6 -39.94 83.01 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.211 0 N-CA-C 109.246 -0.65 . . . . 0.0 109.246 170.437 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 96' ' ' ASN . . . . . 0.485 ' ND2' ' HA ' ' B' ' 93' ' ' ARG . 80.1 m-20 -59.77 -44.74 93.74 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.431 -0.804 . . . . 0.0 109.512 174.101 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 97' ' ' ALA . . . . . . . . . . . . . . . -72.26 1.86 6.99 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.814 -0.63 . . . . 0.0 112.258 -179.64 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 98' ' ' ARG . . . . . 0.531 ' HG2' ' O ' ' B' ' 94' ' ' ILE . 5.6 mmp_? . . . . . 0 C--N 1.329 -0.318 0 CA-C-O 120.646 0.26 . . . . 0.0 110.631 177.035 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.442 -0.948 0 CA-C-O 120.188 -0.229 . . . . 0.0 112.798 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.572 ' HD2' ' SD ' ' A' ' 46' ' ' MET . 26.5 Cg_exo -64.43 179.09 1.35 Allowed 'Trans proline' 0 C--N 1.343 0.273 0 C-N-CA 122.765 2.31 . . . . 0.0 110.829 169.935 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 35.3 pt -52.79 -39.69 32.2 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.451 0 N-CA-C 112.596 0.591 . . . . 0.0 112.596 -172.413 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . 0.401 ' HA ' HD13 ' A' ' 80' ' ' ILE . 97.0 mtt180 -60.89 -48.18 82.98 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 121.111 0.481 . . . . 0.0 110.634 177.719 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . 0.572 ' SD ' ' HD2' ' A' ' 43' ' ' PRO . 1.9 mpt? -69.9 -27.9 65.17 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.909 -179.127 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.547 HG23 ' O ' ' A' ' 43' ' ' PRO . 90.6 t -58.45 -46.71 89.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 N-CA-C 110.126 -0.324 . . . . 0.0 110.126 176.201 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 11.0 mp -68.21 -31.92 71.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.03 177.854 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -66.55 -50.13 64.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.989 0.424 . . . . 0.0 110.996 176.083 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.534 HG13 ' O ' ' A' ' 46' ' ' MET . 54.7 mt -66.92 -29.89 47.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 115.999 -0.546 . . . . 0.0 109.771 178.315 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.533 ' O ' ' HG2' ' A' ' 55' ' ' ARG . 16.5 tp -58.33 -56.68 18.93 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.055 174.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -56.52 -39.49 73.43 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.826 179.803 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.427 ' HB3' ' O ' ' A' ' 50' ' ' ILE . 90.1 t80 -52.74 -58.48 6.72 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.66 -0.7 . . . . 0.0 109.63 173.711 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.554 HD13 ' H ' ' A' ' 62' ' ' SER . 83.9 mt -70.34 -6.71 37.18 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.237 -0.438 . . . . 0.0 112.103 -178.256 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.533 ' HG2' ' O ' ' A' ' 51' ' ' LEU . 25.1 mmm180 -87.82 -35.78 17.61 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.773 0.32 . . . . 0.0 111.296 177.839 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . 0.437 ' CZ ' ' HA ' ' B' ' 84' ' ' PHE . 66.8 m-85 -109.88 -12.67 14.55 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.92 -176.036 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 22.8 p -108.15 4.52 24.96 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.057 0.456 . . . . 0.0 110.705 178.035 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -164.47 167.06 19.92 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.401 -177.634 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 18.8 mm -118.28 50.79 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-O 121.823 0.821 . . . . 0.0 109.34 175.877 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 57.2 tptt 174.55 105.31 0.08 OUTLIER Pre-proline 0 C--N 1.321 -0.647 0 CA-C-N 114.589 -1.187 . . . . 0.0 110.285 -178.002 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . 0.526 ' HB2' HD11 ' A' ' 66' ' ' ILE . 4.9 Cg_exo -77.6 134.49 13.77 Favored 'Trans proline' 0 N--CA 1.457 -0.651 0 C-N-CA 122.535 2.156 . . . . 0.0 111.272 173.438 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . 0.554 ' H ' HD13 ' A' ' 54' ' ' LEU . 5.9 m -59.32 138.09 57.75 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.961 -178.587 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 96.0 mt -62.47 -26.58 68.6 Favored 'General case' 0 N--CA 1.462 0.154 0 CA-C-N 115.67 -0.696 . . . . 0.0 112.28 -173.589 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -63.93 -47.07 89.4 Favored Glycine 0 N--CA 1.45 -0.406 0 C-N-CA 120.557 -0.83 . . . . 0.0 111.117 175.218 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.42 HD23 ' HB2' ' A' ' 62' ' ' SER . 4.3 mm? -64.44 -40.09 95.07 Favored 'General case' 0 C--O 1.218 -0.585 0 N-CA-C 110.162 -0.31 . . . . 0.0 110.162 176.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.526 HD11 ' HB2' ' A' ' 61' ' ' PRO . 37.2 mm -59.66 -43.82 92.12 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.339 0 CA-C-O 121.099 0.476 . . . . 0.0 111.108 177.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 24.3 t-20 -57.68 -42.96 84.67 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.736 -0.665 . . . . 0.0 111.006 178.721 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 23.0 ttm180 -82.8 -23.88 33.64 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.049 0.452 . . . . 0.0 110.178 -177.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' TRP . . . . . 0.569 ' CD1' HD11 ' B' ' 95' ' ' ILE . 44.2 t90 -60.84 -52.19 66.13 Favored 'General case' 0 C--N 1.324 -0.531 0 C-N-CA 123.938 0.895 . . . . 0.0 110.646 176.715 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -69.04 -13.09 66.34 Favored Glycine 0 CA--C 1.522 0.514 0 C-N-CA 120.999 -0.619 . . . . 0.0 112.344 175.742 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 53.6 m -89.69 -2.33 58.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.914 0.387 . . . . 0.0 111.017 -179.748 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 56.8 t -78.6 138.66 19.76 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.587 0 N-CA-C 109.403 -0.592 . . . . 0.0 109.403 176.126 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -59.62 129.04 48.08 Favored Glycine 0 N--CA 1.442 -0.927 0 N-CA-C 110.356 -1.097 . . . . 0.0 110.356 174.754 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.515 ' O ' ' HG3' ' A' ' 78' ' ' MET . 0.2 OUTLIER -68.23 -23.39 64.8 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-O 121.618 0.723 . . . . 0.0 110.439 -173.425 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 20.2 tptm -74.55 -47.76 30.83 Favored 'General case' 0 C--N 1.31 -1.15 0 CA-C-N 114.498 -1.228 . . . . 0.0 109.828 170.916 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . 0.516 ' O ' HG13 ' A' ' 80' ' ' ILE . 14.3 tp10 -62.34 -39.51 93.34 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.513 -0.767 . . . . 0.0 110.366 -178.837 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -58.16 -39.45 78.88 Favored 'General case' 0 N--CA 1.454 -0.263 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.79 178.205 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . 0.515 ' HG3' ' O ' ' A' ' 74' ' ' LYS . 89.3 mtp -60.65 -44.59 96.25 Favored 'General case' 0 CA--C 1.519 -0.243 0 CA-C-O 121.101 0.477 . . . . 0.0 109.854 176.626 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -65.31 -43.31 91.44 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.462 -0.79 . . . . 0.0 110.804 179.078 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.516 HG13 ' O ' ' A' ' 76' ' ' GLU . 86.2 mt -61.62 -53.29 50.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.64 179.047 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.449 ' O ' ' HG3' ' A' ' 85' ' ' LYS . 35.4 mm -59.67 -39.83 80.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.149 -178.578 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . 0.51 ' O ' ' HG2' ' A' ' 86' ' ' LYS . 25.2 ttmm -59.6 -51.41 69.93 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.929 0.395 . . . . 0.0 110.746 178.36 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 55.4 mtmt -71.28 -26.1 62.73 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.936 -179.492 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . 0.453 ' HA ' ' CZ ' ' B' ' 56' ' ' PHE . 7.2 t80 -64.64 -48.56 74.39 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 109.295 -0.631 . . . . 0.0 109.295 175.331 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . 0.449 ' HG3' ' O ' ' A' ' 81' ' ' ILE . 99.5 mttt -59.91 -34.65 73.49 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-N 115.513 -0.767 . . . . 0.0 110.969 177.185 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . 0.51 ' HG2' ' O ' ' A' ' 82' ' ' LYS . 74.9 mmtt -64.97 -42.03 94.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.426 179.764 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 35.9 t70 -71.97 -35.54 69.56 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.897 0.379 . . . . 0.0 110.067 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 91.5 mt -58.94 -44.71 91.43 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.026 174.463 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -62.42 -40.32 96.17 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.511 -0.768 . . . . 0.0 110.762 178.147 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . 0.625 ' O ' HG13 ' A' ' 94' ' ' ILE . . . -63.49 -46.97 83.65 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.635 179.381 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 94.9 mmm -63.5 -38.67 92.03 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.727 179.303 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 49.2 tp -59.15 -46.01 89.47 Favored 'General case' 0 C--O 1.24 0.579 0 CA-C-O 121.311 0.577 . . . . 0.0 110.571 176.538 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 71.8 mtp180 -58.75 -36.85 75.01 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.536 -0.756 . . . . 0.0 110.766 178.304 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . 0.625 HG13 ' O ' ' A' ' 90' ' ' ALA . 27.8 mt -69.18 -36.71 74.3 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.628 -0.26 . . . . 0.0 110.738 179.161 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.57 HD11 ' CD1' ' B' ' 69' ' ' TRP . 19.4 mm -51.54 -53.63 15.49 Favored 'Isoleucine or valine' 0 C--O 1.235 0.326 0 CA-C-O 121.319 0.58 . . . . 0.0 110.0 175.368 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -82.85 -16.02 49.27 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.757 -0.656 . . . . 0.0 111.121 -176.144 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -66.54 -43.02 86.27 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.09 0.472 . . . . 0.0 110.696 178.457 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . 0.526 ' HG2' ' O ' ' A' ' 94' ' ' ILE . 12.2 ptp180 . . . . . 0 C--N 1.322 -0.598 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.915 -175.621 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 42' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.442 -0.96 0 CA-C-O 120.132 -0.26 . . . . 0.0 112.75 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 43' ' ' PRO . . . . . 0.569 ' HD2' ' SD ' ' B' ' 46' ' ' MET . 26.3 Cg_exo -64.58 179.13 1.39 Allowed 'Trans proline' 0 C--N 1.344 0.297 0 C-N-CA 122.713 2.275 . . . . 0.0 110.772 169.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 35.1 pt -52.78 -39.74 32.37 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.422 0 N-CA-C 112.541 0.571 . . . . 0.0 112.541 -172.401 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 45' ' ' ARG . . . . . 0.409 ' HA ' HD13 ' B' ' 80' ' ' ILE . 97.0 mtt180 -60.8 -48.21 82.84 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-O 121.175 0.512 . . . . 0.0 110.643 177.756 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 46' ' ' MET . . . . . 0.569 ' SD ' ' HD2' ' B' ' 43' ' ' PRO . 1.9 mpt? -69.87 -27.93 65.23 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.844 -0.617 . . . . 0.0 110.91 -179.118 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 47' ' ' VAL . . . . . 0.548 HG23 ' O ' ' B' ' 43' ' ' PRO . 90.8 t -58.44 -46.66 89.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 N-CA-C 110.172 -0.307 . . . . 0.0 110.172 176.182 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 11.0 mp -68.37 -31.8 71.43 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.012 177.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -66.59 -50.17 63.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.962 0.41 . . . . 0.0 110.995 175.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 50' ' ' ILE . . . . . 0.545 HG13 ' O ' ' B' ' 46' ' ' MET . 54.9 mt -66.91 -29.91 47.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 115.983 -0.553 . . . . 0.0 109.785 178.297 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 51' ' ' LEU . . . . . 0.531 ' O ' ' HG2' ' B' ' 55' ' ' ARG . 16.5 tp -58.32 -56.63 19.6 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.602 -0.726 . . . . 0.0 110.091 174.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -56.66 -39.33 73.55 Favored 'General case' 0 CA--C 1.519 -0.217 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.822 179.779 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 53' ' ' PHE . . . . . 0.431 ' HB3' ' O ' ' B' ' 50' ' ' ILE . 90.3 t80 -52.78 -58.38 7.08 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.779 -0.646 . . . . 0.0 109.697 173.609 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 54' ' ' LEU . . . . . 0.56 HD13 ' H ' ' B' ' 62' ' ' SER . 83.8 mt -70.47 -6.6 37.11 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 112.138 0.422 . . . . 0.0 112.138 -178.277 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 55' ' ' ARG . . . . . 0.531 ' HG2' ' O ' ' B' ' 51' ' ' LEU . 25.1 mmm180 -88.05 -35.44 17.53 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.902 0.382 . . . . 0.0 111.304 177.789 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 56' ' ' PHE . . . . . 0.453 ' CZ ' ' HA ' ' A' ' 84' ' ' PHE . 67.6 m-85 -110.25 -12.43 14.46 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.941 -176.085 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 57' ' ' THR . . . . . . . . . . . . . 22.2 p -108.34 4.5 24.56 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.024 0.44 . . . . 0.0 110.747 177.82 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -164.53 166.43 20.36 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.44 -177.482 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 59' ' ' ILE . . . . . . . . . . . . . 18.9 mm -117.6 50.85 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-O 121.862 0.839 . . . . 0.0 109.416 175.826 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 57.2 tptt 174.62 105.38 0.08 OUTLIER Pre-proline 0 C--N 1.321 -0.662 0 CA-C-N 114.621 -1.172 . . . . 0.0 110.344 -178.148 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 61' ' ' PRO . . . . . 0.513 ' HB2' HD11 ' B' ' 66' ' ' ILE . 5.0 Cg_exo -77.69 134.15 13.36 Favored 'Trans proline' 0 N--CA 1.458 -0.608 0 C-N-CA 122.474 2.116 . . . . 0.0 111.269 173.603 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 62' ' ' SER . . . . . 0.56 ' H ' HD13 ' B' ' 54' ' ' LEU . 6.2 m -58.96 137.94 57.67 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.989 -178.597 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 96.3 mt -62.42 -26.35 68.44 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 115.624 -0.716 . . . . 0.0 112.327 -173.8 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -64.17 -46.85 89.91 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.367 -0.92 . . . . 0.0 111.248 174.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 65' ' ' LEU . . . . . 0.424 HD23 ' HB2' ' B' ' 62' ' ' SER . 4.3 mm? -64.59 -39.99 94.72 Favored 'General case' 0 C--O 1.218 -0.587 0 CA-C-N 115.531 -0.335 . . . . 0.0 110.175 177.023 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 66' ' ' ILE . . . . . 0.513 HD11 ' HB2' ' B' ' 61' ' ' PRO . 36.7 mm -59.81 -43.77 92.56 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.327 0 CA-C-O 121.12 0.486 . . . . 0.0 111.061 178.046 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 67' ' ' ASN . . . . . . . . . . . . . 24.2 t-20 -57.7 -43.05 84.88 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.735 -0.666 . . . . 0.0 111.046 178.8 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 68' ' ' ARG . . . . . . . . . . . . . 22.8 ttm180 -82.62 -23.98 34.07 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.106 0.479 . . . . 0.0 110.246 -178.138 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 69' ' ' TRP . . . . . 0.57 ' CD1' HD11 ' A' ' 95' ' ' ILE . 44.3 t90 -60.77 -52.15 66.3 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.107 -0.951 . . . . 0.0 110.662 176.732 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . -69.22 -12.84 66.49 Favored Glycine 0 CA--C 1.521 0.453 0 C-N-CA 120.952 -0.642 . . . . 0.0 112.409 175.724 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 71' ' ' SER . . . . . . . . . . . . . 51.7 m -90.08 -1.51 57.97 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.874 0.368 . . . . 0.0 111.001 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 72' ' ' VAL . . . . . . . . . . . . . 56.0 t -79.35 138.46 19.96 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 N-CA-C 109.495 -0.557 . . . . 0.0 109.495 175.857 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 73' ' ' GLY . . . . . . . . . . . . . . . -59.36 129.07 48.55 Favored Glycine 0 N--CA 1.441 -0.985 0 N-CA-C 110.481 -1.048 . . . . 0.0 110.481 174.811 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 74' ' ' LYS . . . . . 0.523 ' O ' ' HG3' ' B' ' 78' ' ' MET . 0.2 OUTLIER -68.46 -22.82 64.55 Favored 'General case' 0 C--N 1.317 -0.829 0 CA-C-O 121.709 0.766 . . . . 0.0 110.392 -173.506 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 75' ' ' LYS . . . . . . . . . . . . . 20.2 tptm -75.12 -47.96 26.1 Favored 'General case' 0 C--N 1.31 -1.133 0 CA-C-N 114.521 -1.218 . . . . 0.0 109.71 170.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 76' ' ' GLU . . . . . 0.515 ' O ' HG13 ' B' ' 80' ' ' ILE . 14.6 tp10 -62.07 -39.75 93.47 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.537 -0.756 . . . . 0.0 110.457 -178.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 77' ' ' ALA . . . . . . . . . . . . . . . -57.9 -39.5 78.06 Favored 'General case' 0 N--CA 1.453 -0.289 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.729 178.242 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 78' ' ' MET . . . . . 0.523 ' HG3' ' O ' ' B' ' 74' ' ' LYS . 90.3 mtp -60.78 -44.56 96.63 Favored 'General case' 0 CA--C 1.519 -0.231 0 N-CA-C 109.73 -0.47 . . . . 0.0 109.73 176.779 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 79' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -65.41 -43.18 91.37 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.467 -0.788 . . . . 0.0 110.742 179.26 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 80' ' ' ILE . . . . . 0.515 HG13 ' O ' ' B' ' 76' ' ' GLU . 85.8 mt -61.67 -53.43 48.46 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.617 178.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 81' ' ' ILE . . . . . 0.448 ' O ' ' HG3' ' B' ' 85' ' ' LYS . 35.5 mm -59.61 -39.89 80.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.139 -178.493 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 82' ' ' LYS . . . . . 0.503 ' O ' ' HG2' ' B' ' 86' ' ' LYS . 25.2 ttmm -59.56 -51.24 70.7 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.881 0.372 . . . . 0.0 110.757 178.42 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 83' ' ' LYS . . . . . . . . . . . . . 55.4 mtmt -71.25 -26.52 62.94 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.924 -179.522 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 84' ' ' PHE . . . . . 0.437 ' HA ' ' CZ ' ' A' ' 56' ' ' PHE . 7.2 t80 -64.25 -48.62 75.06 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 109.298 -0.63 . . . . 0.0 109.298 175.459 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 85' ' ' LYS . . . . . 0.448 ' HG3' ' O ' ' B' ' 81' ' ' ILE . 99.4 mttt -59.75 -34.82 73.46 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-N 115.547 -0.751 . . . . 0.0 110.967 177.194 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 86' ' ' LYS . . . . . 0.503 ' HG2' ' O ' ' B' ' 82' ' ' LYS . 74.9 mmtt -65.09 -41.42 95.03 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.548 179.816 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 87' ' ' ASP . . . . . . . . . . . . . 35.3 t70 -72.28 -35.63 68.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.823 0.344 . . . . 0.0 110.134 179.564 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 91.8 mt -58.98 -44.78 91.61 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.055 174.49 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -62.32 -40.43 96.32 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.494 -0.776 . . . . 0.0 110.697 178.257 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 90' ' ' ALA . . . . . 0.624 ' O ' HG13 ' B' ' 94' ' ' ILE . . . -63.34 -46.96 84.19 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.741 179.302 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 91' ' ' MET . . . . . . . . . . . . . 94.9 mmm -63.71 -38.77 92.36 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.581 179.288 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 92' ' ' LEU . . . . . . . . . . . . . 49.6 tp -59.02 -45.86 89.64 Favored 'General case' 0 C--O 1.24 0.553 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.618 176.58 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 93' ' ' ARG . . . . . . . . . . . . . 72.1 mtp180 -58.76 -37.1 75.49 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.503 -0.771 . . . . 0.0 110.788 178.113 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 94' ' ' ILE . . . . . 0.624 HG13 ' O ' ' B' ' 90' ' ' ALA . 27.9 mt -68.84 -36.74 75.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.749 -0.205 . . . . 0.0 110.758 179.267 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 95' ' ' ILE . . . . . 0.569 HD11 ' CD1' ' A' ' 69' ' ' TRP . 19.4 mm -51.42 -53.93 13.86 Favored 'Isoleucine or valine' 0 C--O 1.236 0.354 0 CA-C-O 121.351 0.596 . . . . 0.0 109.929 175.416 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 96' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -82.83 -15.99 49.47 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.736 -0.665 . . . . 0.0 111.155 -176.01 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 97' ' ' ALA . . . . . . . . . . . . . . . -66.45 -43.32 85.87 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 121.033 0.444 . . . . 0.0 110.747 178.268 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 98' ' ' ARG . . . . . 0.543 ' HG2' ' O ' ' B' ' 94' ' ' ILE . 12.3 ptp180 . . . . . 0 C--N 1.321 -0.663 0 CA-C-N 115.765 -0.652 . . . . 0.0 111.027 -175.673 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.445 -0.733 0 CA-C-O 119.912 -0.382 . . . . 0.0 112.21 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.506 ' HD2' ' SD ' ' A' ' 46' ' ' MET . 39.8 Cg_exo -62.18 174.45 2.57 Favored 'Trans proline' 0 C--N 1.345 0.388 0 C-N-CA 122.883 2.388 . . . . 0.0 111.591 173.321 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 22.7 pt -52.38 -41.54 35.47 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.406 0 N-CA-C 112.64 0.607 . . . . 0.0 112.64 -173.384 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 -56.9 -46.87 81.65 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-O 121.354 0.597 . . . . 0.0 110.615 176.747 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . 0.558 ' HG2' ' HA ' ' B' ' 57' ' ' THR . 70.3 mtp -70.04 -24.3 63.24 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.332 -0.849 . . . . 0.0 111.259 -178.753 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.484 HG23 ' O ' ' A' ' 43' ' ' PRO . 84.4 t -65.73 -48.83 80.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.622 0.249 . . . . 0.0 110.584 177.837 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -62.27 -39.62 93.52 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.931 0.396 . . . . 0.0 110.381 176.865 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -67.78 -48.18 67.05 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.741 -179.045 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.43 ' O ' ' HG ' ' A' ' 54' ' ' LEU . 15.0 tt -69.73 -28.61 37.9 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-O 120.61 0.243 . . . . 0.0 110.674 -177.666 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.641 HD23 ' SD ' ' B' ' 91' ' ' MET . 7.6 tp -68.61 -49.99 54.95 Favored 'General case' 0 N--CA 1.449 -0.506 0 C-N-CA 120.484 -0.486 . . . . 0.0 109.736 179.186 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -57.34 -39.19 75.39 Favored 'General case' 0 CA--C 1.517 -0.302 0 CA-C-O 121.217 0.532 . . . . 0.0 110.199 176.583 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.416 ' HB3' ' O ' ' A' ' 50' ' ' ILE . 88.7 t80 -54.75 -58.76 6.25 Favored 'General case' 0 N--CA 1.45 -0.445 0 CA-C-N 115.295 -0.866 . . . . 0.0 109.538 173.011 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.43 ' HG ' ' O ' ' A' ' 50' ' ' ILE . 89.1 mt -62.28 -18.05 60.25 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.827 -179.61 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.527 ' HG2' ' O ' ' A' ' 51' ' ' LEU . 26.2 mmm180 -77.83 -50.86 11.45 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.807 0.337 . . . . 0.0 111.358 178.376 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . 0.544 ' CZ ' ' HA ' ' B' ' 84' ' ' PHE . 54.7 m-85 -96.02 -7.7 35.58 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 112.415 0.524 . . . . 0.0 112.415 -174.043 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . 0.556 ' HA ' ' HG2' ' B' ' 46' ' ' MET . 31.5 p -107.58 -30.51 8.57 Favored 'General case' 0 C--N 1.323 -0.546 0 C-N-CA 120.075 -0.65 . . . . 0.0 111.467 176.808 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -128.48 -176.56 3.86 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.235 -172.092 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 74.3 mt -120.92 118.77 57.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.15 176.357 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 57.2 tptt 68.27 98.41 0.04 OUTLIER Pre-proline 0 N--CA 1.464 0.252 0 O-C-N 124.09 0.869 . . . . 0.0 111.207 179.474 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 33.8 Cg_exo -61.23 149.68 88.17 Favored 'Trans proline' 0 C--O 1.233 0.241 0 C-N-CA 122.957 2.438 . . . . 0.0 112.216 177.192 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . 0.454 ' HB2' HD23 ' A' ' 65' ' ' LEU . 3.9 m -65.25 139.12 58.6 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.877 -0.601 . . . . 0.0 111.161 -177.794 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -63.56 -21.12 66.17 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.395 -0.821 . . . . 0.0 112.333 -173.022 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -65.67 -44.91 91.68 Favored Glycine 0 C--O 1.238 0.381 0 C-N-CA 120.591 -0.814 . . . . 0.0 111.575 176.115 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.454 HD23 ' HB2' ' A' ' 62' ' ' SER . 3.3 mm? -66.46 -35.45 80.32 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 109.433 -0.58 . . . . 0.0 109.433 175.771 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.448 ' O ' ' HB3' ' A' ' 69' ' ' TRP . 35.6 mm -63.22 -35.05 70.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 115.822 -0.627 . . . . 0.0 110.668 176.798 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 28.1 t-20 -65.51 -43.17 90.92 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.88 178.397 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 33.4 ttm180 -82.48 -18.38 41.85 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.36 0.6 . . . . 0.0 110.255 -179.276 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' TRP . . . . . 0.577 ' NE1' HD11 ' B' ' 95' ' ' ILE . 22.7 t90 -55.58 -47.97 75.59 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.098 -0.956 . . . . 0.0 110.399 175.844 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . 0.417 ' HA2' ' HG3' ' B' ' 98' ' ' ARG . . . -82.34 8.14 62.22 Favored Glycine 0 N--CA 1.447 -0.602 0 C-N-CA 120.885 -0.674 . . . . 0.0 112.794 177.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 17.0 t -92.1 -11.02 36.88 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 109.529 -0.545 . . . . 0.0 109.529 177.235 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 17.4 t -74.94 136.63 24.71 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 N-CA-C 108.749 -0.834 . . . . 0.0 108.749 174.797 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -77.36 35.98 1.55 Allowed Glycine 0 CA--C 1.52 0.399 0 N-CA-C 114.654 0.622 . . . . 0.0 114.654 -170.356 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 58.0 mttp 62.19 -71.45 0.05 OUTLIER 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 123.734 0.814 . . . . 0.0 112.626 175.205 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 21.7 tptm -58.49 -36.76 74.26 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.898 0.38 . . . . 0.0 110.337 178.141 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . 0.425 ' O ' HG13 ' A' ' 80' ' ' ILE . 16.0 tp10 -60.93 -42.9 99.06 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.012 -0.54 . . . . 0.0 109.967 176.725 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.416 ' O ' HG12 ' A' ' 81' ' ' ILE . . . -62.82 -38.53 91.11 Favored 'General case' 0 C--O 1.223 -0.31 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.404 178.91 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 65.1 mtt -58.89 -39.91 82.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.163 0.506 . . . . 0.0 110.246 177.893 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 18.2 mm-40 -71.31 -45.73 62.36 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.424 -0.807 . . . . 0.0 111.08 178.743 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.425 HG13 ' O ' ' A' ' 76' ' ' GLU . 89.2 mt -60.8 -50.02 82.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.793 178.587 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.416 HG12 ' O ' ' A' ' 77' ' ' ALA . 36.2 mm -64.31 -35.5 74.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.353 -178.153 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 23.3 tptm -63.0 -44.67 95.38 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.912 0.387 . . . . 0.0 110.1 177.774 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 63.9 tttm -70.6 -32.39 69.74 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.042 178.417 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . 0.545 ' HA ' ' CZ ' ' B' ' 56' ' ' PHE . 5.2 t80 -62.33 -53.73 50.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.619 -0.718 . . . . 0.0 109.748 177.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -59.15 -36.59 75.53 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.927 177.207 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 53.5 tptt -66.64 -40.55 88.74 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.766 -179.36 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -68.58 -38.07 80.39 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 109.595 -0.52 . . . . 0.0 109.595 178.749 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.541 ' HG ' ' O ' ' A' ' 84' ' ' PHE . 92.7 mt -62.16 -37.02 83.63 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.559 175.644 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . 0.51 ' O ' ' HG3' ' A' ' 93' ' ' ARG . . . -62.72 -48.83 77.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.724 179.356 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . 0.563 ' O ' HG13 ' A' ' 94' ' ' ILE . . . -61.7 -45.61 93.22 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.236 177.602 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' MET . . . . . 0.628 ' SD ' HD23 ' B' ' 51' ' ' LEU . 49.8 ttp -56.2 -44.49 79.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.44 -0.8 . . . . 0.0 110.716 178.181 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 67.2 tp -57.82 -41.83 83.06 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.613 -0.721 . . . . 0.0 111.16 179.157 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . 0.51 ' HG3' ' O ' ' A' ' 89' ' ' ALA . 30.6 mtm180 -64.37 -34.16 77.53 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.533 -179.63 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . 0.563 HG13 ' O ' ' A' ' 90' ' ' ALA . 11.5 mt -74.46 -26.32 20.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.509 179.076 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.582 HD11 ' NE1' ' B' ' 69' ' ' TRP . 21.9 mm -60.88 -44.87 98.7 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.196 0 CA-C-O 121.756 0.789 . . . . 0.0 109.124 171.613 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 45.3 t30 -65.14 -29.27 70.1 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.168 -0.924 . . . . 0.0 109.849 176.345 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -82.36 2.29 33.03 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.681 -0.691 . . . . 0.0 111.566 178.755 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . 0.428 ' HG3' ' HA2' ' B' ' 70' ' ' GLY . 6.4 mmp_? . . . . . 0 N--CA 1.466 0.326 0 CA-C-O 121.387 0.613 . . . . 0.0 109.781 175.837 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 42' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.444 -0.783 0 CA-C-O 119.881 -0.4 . . . . 0.0 112.24 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B ' 43' ' ' PRO . . . . . 0.495 ' HD2' ' SD ' ' B' ' 46' ' ' MET . 39.1 Cg_exo -61.95 174.79 2.19 Favored 'Trans proline' 0 C--N 1.346 0.42 0 C-N-CA 122.841 2.361 . . . . 0.0 111.579 173.558 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 22.3 pt -52.64 -41.47 37.77 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.423 0 N-CA-C 112.669 0.618 . . . . 0.0 112.669 -173.405 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 -56.96 -46.94 81.81 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-O 121.356 0.598 . . . . 0.0 110.595 176.715 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 46' ' ' MET . . . . . 0.556 ' HG2' ' HA ' ' A' ' 57' ' ' THR . 70.7 mtp -69.89 -24.39 63.39 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.364 -0.834 . . . . 0.0 111.253 -178.829 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 47' ' ' VAL . . . . . 0.479 HG23 ' O ' ' B' ' 43' ' ' PRO . 84.6 t -65.63 -48.98 80.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-O 120.63 0.252 . . . . 0.0 110.493 177.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -62.19 -39.66 93.46 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.988 0.423 . . . . 0.0 110.338 177.047 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -67.72 -48.17 67.26 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.893 -0.594 . . . . 0.0 111.688 -178.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 50' ' ' ILE . . . . . 0.445 ' O ' ' HG ' ' B' ' 54' ' ' LEU . 15.0 tt -69.71 -28.71 38.3 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 CA-C-O 120.596 0.236 . . . . 0.0 110.599 -177.578 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 51' ' ' LEU . . . . . 0.628 HD23 ' SD ' ' A' ' 91' ' ' MET . 7.5 tp -68.56 -49.97 55.42 Favored 'General case' 0 N--CA 1.448 -0.541 0 C-N-CA 120.483 -0.487 . . . . 0.0 109.819 179.172 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -57.37 -39.09 75.29 Favored 'General case' 0 CA--C 1.518 -0.267 0 CA-C-O 121.109 0.48 . . . . 0.0 110.193 176.503 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 53' ' ' PHE . . . . . 0.415 ' HB3' ' O ' ' B' ' 50' ' ' ILE . 88.9 t80 -54.91 -58.54 7.21 Favored 'General case' 0 N--CA 1.448 -0.534 0 CA-C-N 115.302 -0.863 . . . . 0.0 109.581 173.048 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 54' ' ' LEU . . . . . 0.445 ' HG ' ' O ' ' B' ' 50' ' ' ILE . 88.7 mt -62.45 -18.21 61.23 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.85 -179.622 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 55' ' ' ARG . . . . . 0.522 ' HG2' ' O ' ' B' ' 51' ' ' LEU . 26.2 mmm180 -77.61 -51.06 11.26 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.921 0.391 . . . . 0.0 111.291 178.366 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 56' ' ' PHE . . . . . 0.545 ' CZ ' ' HA ' ' A' ' 84' ' ' PHE . 54.3 m-85 -95.76 -7.76 36.3 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 112.395 0.517 . . . . 0.0 112.395 -173.888 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 57' ' ' THR . . . . . 0.558 ' HA ' ' HG2' ' A' ' 46' ' ' MET . 31.1 p -107.61 -30.67 8.47 Favored 'General case' 0 C--N 1.323 -0.56 0 C-N-CA 120.031 -0.668 . . . . 0.0 111.366 176.893 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -128.77 -177.15 4.08 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.18 -171.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 59' ' ' ILE . . . . . . . . . . . . . 75.6 mt -120.49 118.25 56.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.109 176.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 57.2 tptt 68.62 98.44 0.04 OUTLIER Pre-proline 0 C--O 1.234 0.269 0 O-C-N 123.99 0.806 . . . . 0.0 111.193 179.53 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 61' ' ' PRO . . . . . . . . . . . . . 34.9 Cg_exo -61.32 149.45 89.39 Favored 'Trans proline' 0 C--O 1.233 0.25 0 C-N-CA 123.059 2.506 . . . . 0.0 112.269 177.155 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 62' ' ' SER . . . . . 0.469 ' HB2' HD23 ' B' ' 65' ' ' LEU . 3.7 m -65.05 138.95 58.66 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.085 -177.848 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -63.5 -20.97 66.05 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.347 -0.842 . . . . 0.0 112.237 -172.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -66.06 -44.67 90.91 Favored Glycine 0 C--O 1.239 0.437 0 C-N-CA 120.681 -0.771 . . . . 0.0 111.543 176.313 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 65' ' ' LEU . . . . . 0.469 HD23 ' HB2' ' B' ' 62' ' ' SER . 3.3 mm? -66.53 -35.48 80.35 Favored 'General case' 0 C--O 1.222 -0.363 0 N-CA-C 109.488 -0.56 . . . . 0.0 109.488 175.571 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 66' ' ' ILE . . . . . 0.474 ' O ' ' HB3' ' B' ' 69' ' ' TRP . 35.7 mm -63.32 -35.2 71.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.691 176.792 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 67' ' ' ASN . . . . . . . . . . . . . 28.0 t-20 -65.46 -43.21 91.03 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.685 178.405 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 68' ' ' ARG . . . . . . . . . . . . . 33.3 ttm180 -82.38 -18.4 42.16 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.391 0.615 . . . . 0.0 110.246 -179.224 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 69' ' ' TRP . . . . . 0.582 ' NE1' HD11 ' A' ' 95' ' ' ILE . 22.7 t90 -55.58 -47.85 75.76 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.089 -0.96 . . . . 0.0 110.464 175.914 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 70' ' ' GLY . . . . . 0.428 ' HA2' ' HG3' ' A' ' 98' ' ' ARG . . . -82.8 8.68 61.9 Favored Glycine 0 N--CA 1.448 -0.557 0 C-N-CA 120.91 -0.662 . . . . 0.0 112.773 178.014 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 71' ' ' SER . . . . . . . . . . . . . 13.8 t -92.4 -11.16 35.63 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 109.518 -0.549 . . . . 0.0 109.518 177.046 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 72' ' ' VAL . . . . . . . . . . . . . 17.6 t -74.8 136.49 25.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 N-CA-C 108.77 -0.826 . . . . 0.0 108.77 174.855 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 73' ' ' GLY . . . . . . . . . . . . . . . -76.97 35.53 1.46 Allowed Glycine 0 CA--C 1.522 0.492 0 N-CA-C 114.705 0.642 . . . . 0.0 114.705 -170.298 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 74' ' ' LYS . . . . . 0.4 ' HA ' HG22 ' A' ' 95' ' ' ILE . 58.0 mttp 62.4 -71.3 0.05 OUTLIER 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 123.762 0.825 . . . . 0.0 112.566 175.411 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 75' ' ' LYS . . . . . . . . . . . . . 21.8 tptm -58.77 -36.66 74.77 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.918 0.39 . . . . 0.0 110.262 178.372 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 76' ' ' GLU . . . . . 0.4 ' O ' HG13 ' B' ' 80' ' ' ILE . 15.8 tp10 -60.9 -43.15 98.91 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.003 -0.544 . . . . 0.0 109.884 176.652 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 77' ' ' ALA . . . . . 0.411 ' O ' HG12 ' B' ' 81' ' ' ILE . . . -62.58 -38.53 90.47 Favored 'General case' 0 C--O 1.224 -0.259 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.435 178.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 78' ' ' MET . . . . . . . . . . . . . 65.1 mtt -59.04 -39.55 82.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.123 0.487 . . . . 0.0 110.262 177.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 79' ' ' GLU . . . . . . . . . . . . . 19.8 mm-40 -71.75 -45.64 61.07 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.503 -0.771 . . . . 0.0 111.134 178.664 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 80' ' ' ILE . . . . . 0.4 HG13 ' O ' ' B' ' 76' ' ' GLU . 89.2 mt -60.67 -50.14 81.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.778 178.362 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 81' ' ' ILE . . . . . 0.411 HG12 ' O ' ' B' ' 77' ' ' ALA . 36.2 mm -64.35 -35.34 73.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.282 -178.074 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 82' ' ' LYS . . . . . . . . . . . . . 23.2 tptm -63.17 -44.47 95.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.975 0.417 . . . . 0.0 110.121 177.902 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 83' ' ' LYS . . . . . . . . . . . . . 63.7 tttm -70.77 -32.32 69.42 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.124 178.251 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 84' ' ' PHE . . . . . 0.544 ' HA ' ' CZ ' ' A' ' 56' ' ' PHE . 5.3 t80 -62.34 -53.68 51.57 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.649 -0.705 . . . . 0.0 109.798 177.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 85' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -59.03 -36.77 75.55 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.852 177.106 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 86' ' ' LYS . . . . . . . . . . . . . 53.7 tptt -66.75 -40.13 88.18 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.855 -179.234 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 87' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -68.61 -38.41 80.56 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 109.52 -0.548 . . . . 0.0 109.52 178.505 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 88' ' ' LEU . . . . . 0.541 ' HG ' ' O ' ' B' ' 84' ' ' PHE . 92.7 mt -62.01 -37.16 83.84 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.552 175.888 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 89' ' ' ALA . . . . . 0.532 ' O ' ' HG3' ' B' ' 93' ' ' ARG . . . -62.59 -48.66 78.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.78 179.336 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 90' ' ' ALA . . . . . 0.555 ' O ' HG13 ' B' ' 94' ' ' ILE . . . -61.96 -45.61 92.89 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.276 177.573 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 91' ' ' MET . . . . . 0.641 ' SD ' HD23 ' A' ' 51' ' ' LEU . 49.5 ttp -56.1 -44.62 79.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.489 -0.778 . . . . 0.0 110.744 178.004 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 92' ' ' LEU . . . . . . . . . . . . . 67.4 tp -57.64 -41.92 82.38 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.599 -0.728 . . . . 0.0 111.255 179.116 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 93' ' ' ARG . . . . . 0.532 ' HG3' ' O ' ' B' ' 89' ' ' ALA . 30.7 mtm180 -64.35 -34.12 77.42 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.514 -179.645 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 94' ' ' ILE . . . . . 0.555 HG13 ' O ' ' B' ' 90' ' ' ALA . 11.9 mt -74.45 -26.4 20.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.421 179.096 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 95' ' ' ILE . . . . . 0.577 HD11 ' NE1' ' A' ' 69' ' ' TRP . 22.1 mm -60.9 -44.76 98.54 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.151 0 CA-C-O 121.705 0.764 . . . . 0.0 109.107 171.812 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 96' ' ' ASN . . . . . . . . . . . . . 45.6 t30 -65.12 -29.34 70.19 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.167 -0.924 . . . . 0.0 109.82 176.316 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 97' ' ' ALA . . . . . . . . . . . . . . . -82.36 2.39 32.55 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.67 -0.696 . . . . 0.0 111.702 178.791 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 98' ' ' ARG . . . . . 0.417 ' HG3' ' HA2' ' A' ' 70' ' ' GLY . 6.4 mmp_? . . . . . 0 N--CA 1.465 0.29 0 CA-C-O 121.534 0.683 . . . . 0.0 109.646 175.745 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.587 0 N-CA-C 111.694 -0.562 . . . . 0.0 111.694 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.454 ' O ' HG23 ' A' ' 47' ' ' VAL . 32.4 Cg_exo -59.77 170.56 3.46 Favored 'Trans proline' 0 C--N 1.344 0.336 0 C-N-CA 123.028 2.485 . . . . 0.0 112.252 177.325 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.604 ' HB ' HG13 ' A' ' 72' ' ' VAL . 35.4 pt -52.63 -43.28 43.2 Favored 'Isoleucine or valine' 0 C--O 1.24 0.604 0 N-CA-C 112.664 0.616 . . . . 0.0 112.664 -172.162 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 88.8 mtt180 -65.1 -40.48 94.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.124 0.488 . . . . 0.0 110.729 178.749 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . 0.622 ' O ' HG13 ' A' ' 50' ' ' ILE . 1.8 mpt? -69.47 -25.88 64.3 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.855 176.399 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.507 ' HB ' ' O ' ' A' ' 44' ' ' ILE . 74.9 t -56.73 -48.73 80.45 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.152 0 N-CA-C 109.541 -0.54 . . . . 0.0 109.541 174.009 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -62.19 -38.0 87.43 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.969 -0.56 . . . . 0.0 111.086 176.005 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -63.11 -50.99 68.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.465 178.471 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.622 HG13 ' O ' ' A' ' 46' ' ' MET . 44.9 mt -65.75 -32.84 59.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.063 179.866 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 12.8 tp -60.05 -53.93 52.02 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.119 176.111 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.66 -38.96 82.88 Favored 'General case' 0 CA--C 1.518 -0.26 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.847 179.83 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 82.5 t80 -53.18 -64.2 0.9 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.17 175.263 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.542 HD13 ' HA ' ' A' ' 61' ' ' PRO . 74.6 mt -58.03 -40.21 80.32 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.944 -178.195 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 21.5 mmm180 -64.11 -53.61 46.94 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 112.357 0.502 . . . . 0.0 112.357 -178.811 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . 0.524 ' CZ ' HG23 ' B' ' 80' ' ' ILE . 5.6 t80 -79.17 -8.11 58.74 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 120.862 0.363 . . . . 0.0 110.892 -173.897 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . 0.478 ' HA ' ' HG3' ' B' ' 46' ' ' MET . 49.4 p -97.9 -1.86 42.0 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.141 0.496 . . . . 0.0 110.144 173.378 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . 64.91 33.97 9.5 Favored 'General case' 0 N--CA 1.465 0.275 0 CA-C-N 114.906 -1.043 . . . . 0.0 111.896 179.29 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 65.7 mt -101.57 145.3 11.81 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.684 0 N-CA-C 108.758 -0.83 . . . . 0.0 108.758 174.414 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 60.5 tttp -63.99 119.83 58.62 Favored Pre-proline 0 C--N 1.328 -0.33 0 N-CA-C 110.447 -0.205 . . . . 0.0 110.447 178.153 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . 0.542 ' HA ' HD13 ' A' ' 54' ' ' LEU . 31.7 Cg_exo -59.23 115.21 2.41 Favored 'Trans proline' 0 N--CA 1.46 -0.497 0 C-N-CA 122.463 2.109 . . . . 0.0 111.265 175.748 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . 0.413 ' HB2' HD23 ' A' ' 65' ' ' LEU . 8.6 m -57.03 147.61 23.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.853 -179.376 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 98.3 mt -61.89 -23.45 66.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.269 -0.878 . . . . 0.0 112.081 -173.743 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -62.5 -43.85 98.43 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.5 -0.857 . . . . 0.0 111.538 174.503 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.537 ' O ' ' HB2' ' A' ' 69' ' ' TRP . 3.5 mm? -66.71 -43.88 83.13 Favored 'General case' 0 C--O 1.221 -0.406 0 N-CA-C 109.94 -0.393 . . . . 0.0 109.94 177.775 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.463 HD11 ' HB2' ' A' ' 61' ' ' PRO . 40.9 mm -66.48 -34.8 72.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.399 -177.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 65.4 t30 -70.5 -42.87 70.76 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.785 -179.158 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 67.7 ttt180 -86.74 -12.88 46.91 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.217 0.532 . . . . 0.0 110.171 -177.473 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' TRP . . . . . 0.537 ' HB2' ' O ' ' A' ' 65' ' ' LEU . 16.0 t90 -51.31 -53.26 37.62 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.005 -0.998 . . . . 0.0 110.897 178.526 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -86.75 20.57 23.28 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.547 -0.835 . . . . 0.0 112.17 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 23.1 t -123.34 10.06 9.2 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.365 0.602 . . . . 0.0 109.718 178.547 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.604 HG13 ' HB ' ' A' ' 44' ' ' ILE . 78.8 t -81.31 -16.84 12.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-O 122.502 1.144 . . . . 0.0 110.635 179.525 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 80.79 119.82 0.43 Allowed Glycine 0 C--N 1.304 -1.211 0 CA-C-N 113.628 -1.623 . . . . 0.0 110.114 -169.647 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.505 ' O ' ' HG3' ' A' ' 78' ' ' MET . 9.6 ptpp? -63.98 -22.14 66.8 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 117.356 0.578 . . . . 0.0 109.915 -176.782 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 52.8 tptt -63.96 -54.28 36.99 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.432 -0.804 . . . . 0.0 110.174 173.802 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 20.2 tp10 -67.21 -35.99 80.77 Favored 'General case' 0 N--CA 1.451 -0.383 0 CA-C-N 115.565 -0.743 . . . . 0.0 109.954 179.296 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.611 ' O ' HG12 ' A' ' 81' ' ' ILE . . . -57.32 -43.53 83.38 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.585 -0.28 . . . . 0.0 110.706 177.724 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . 0.622 ' O ' ' HG2' ' A' ' 82' ' ' LYS . 68.6 mtt -59.52 -48.69 80.66 Favored 'General case' 0 CA--C 1.52 -0.191 0 N-CA-C 109.885 -0.413 . . . . 0.0 109.885 176.115 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 51.4 mm-40 -57.87 -42.12 83.89 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.579 -0.737 . . . . 0.0 111.144 178.678 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.537 HG23 ' CZ ' ' B' ' 56' ' ' PHE . 93.0 mt -60.57 -56.04 20.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-N 115.555 -0.748 . . . . 0.0 110.958 176.758 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.611 HG12 ' O ' ' A' ' 77' ' ' ALA . 48.4 mm -56.4 -41.83 72.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.205 -176.583 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . 0.622 ' HG2' ' O ' ' A' ' 78' ' ' MET . 34.3 mmtp -60.0 -54.03 50.8 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.481 -0.327 . . . . 0.0 110.995 179.367 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 57.9 mttp -71.69 -24.98 61.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.896 -176.628 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . 0.427 ' O ' ' HG ' ' A' ' 88' ' ' LEU . 1.7 t80 -64.91 -48.7 73.2 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 109.04 -0.726 . . . . 0.0 109.04 175.349 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . 0.466 ' HG3' ' O ' ' A' ' 81' ' ' ILE . 97.9 mttt -61.72 -34.94 76.68 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.473 -0.785 . . . . 0.0 111.035 178.676 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . 0.598 ' HG2' ' O ' ' A' ' 82' ' ' LYS . 32.0 mmmt -64.87 -43.52 92.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.295 -0.412 . . . . 0.0 111.046 -179.762 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -70.12 -36.11 74.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.297 -0.41 . . . . 0.0 109.962 -179.305 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.434 ' HB3' HD12 ' B' ' 81' ' ' ILE . 90.2 mt -61.95 -47.96 82.53 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.517 177.005 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -63.22 -36.21 82.9 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.78 -0.645 . . . . 0.0 110.957 -179.871 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . 0.558 ' O ' HG13 ' A' ' 94' ' ' ILE . . . -64.29 -49.66 70.94 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.527 177.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' MET . . . . . 0.582 ' O ' HG12 ' A' ' 95' ' ' ILE . 23.3 mmt -61.55 -36.91 81.95 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.926 -179.933 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.432 ' HB2' HG13 ' B' ' 81' ' ' ILE . 68.5 tp -56.19 -49.57 73.68 Favored 'General case' 0 C--O 1.239 0.539 0 CA-C-O 121.33 0.586 . . . . 0.0 110.854 176.389 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 72.7 ttt180 -61.6 -34.61 75.93 Favored 'General case' 0 N--CA 1.442 -0.86 0 CA-C-N 115.561 -0.745 . . . . 0.0 110.549 -179.762 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . 0.558 HG13 ' O ' ' A' ' 90' ' ' ALA . 36.9 mt -72.32 -31.32 38.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.451 -0.34 . . . . 0.0 110.709 179.057 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.582 HG12 ' O ' ' A' ' 91' ' ' MET . 23.1 mm -55.13 -47.85 76.83 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.227 0 N-CA-C 109.37 -0.604 . . . . 0.0 109.37 173.736 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 41.3 t30 -69.08 -41.25 77.79 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.474 -0.784 . . . . 0.0 110.566 176.818 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . 0.448 ' HB3' ' HA ' ' A' ' 94' ' ' ILE . . . -62.75 -17.5 61.03 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 112.548 0.573 . . . . 0.0 112.548 -174.3 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . 0.546 ' HG3' ' O ' ' A' ' 94' ' ' ILE . 19.6 mtp180 . . . . . 0 C--N 1.33 -0.279 0 CA-C-O 120.967 0.413 . . . . 0.0 110.797 177.27 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 42' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.528 0 N-CA-C 111.712 -0.555 . . . . 0.0 111.712 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' B' B ' 43' ' ' PRO . . . . . 0.455 ' O ' HG23 ' B' ' 47' ' ' VAL . 33.2 Cg_exo -59.15 170.62 2.8 Favored 'Trans proline' 0 C--N 1.343 0.259 0 C-N-CA 123.056 2.504 . . . . 0.0 112.331 177.597 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 44' ' ' ILE . . . . . 0.59 ' HB ' HG13 ' B' ' 72' ' ' VAL . 35.6 pt -52.74 -43.19 44.12 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.598 0 N-CA-C 112.54 0.57 . . . . 0.0 112.54 -171.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 89.1 mtt180 -65.28 -40.27 93.65 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.107 0.48 . . . . 0.0 110.721 178.902 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 46' ' ' MET . . . . . 0.607 ' O ' HG13 ' B' ' 50' ' ' ILE . 1.8 mpt? -69.77 -25.76 63.96 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.731 176.358 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 47' ' ' VAL . . . . . 0.508 ' HB ' ' O ' ' B' ' 44' ' ' ILE . 74.5 t -56.74 -48.69 80.51 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.178 0 N-CA-C 109.59 -0.522 . . . . 0.0 109.59 173.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -62.15 -38.02 87.43 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.091 175.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -63.1 -51.01 68.26 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.884 0.373 . . . . 0.0 111.437 178.53 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 50' ' ' ILE . . . . . 0.607 HG13 ' O ' ' B' ' 46' ' ' MET . 45.3 mt -65.75 -32.76 59.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.021 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 12.8 tp -60.19 -53.86 52.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.747 -0.66 . . . . 0.0 110.061 176.199 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.62 -38.95 82.71 Favored 'General case' 0 CA--C 1.517 -0.294 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.846 179.809 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 53' ' ' PHE . . . . . . . . . . . . . 82.6 t80 -53.28 -64.28 0.87 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.161 175.326 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 54' ' ' LEU . . . . . 0.549 HD13 ' HA ' ' B' ' 61' ' ' PRO . 74.9 mt -57.82 -40.35 79.8 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.888 -178.262 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 55' ' ' ARG . . . . . . . . . . . . . 21.5 mmm180 -64.21 -52.91 56.53 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 112.496 0.554 . . . . 0.0 112.496 -178.648 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 56' ' ' PHE . . . . . 0.537 ' CZ ' HG23 ' A' ' 80' ' ' ILE . 5.6 t80 -80.03 -7.54 58.89 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 120.913 0.387 . . . . 0.0 110.854 -174.074 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 57' ' ' THR . . . . . 0.487 ' HA ' ' HG3' ' A' ' 46' ' ' MET . 49.9 p -98.43 -1.2 41.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.056 0.455 . . . . 0.0 110.112 173.14 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . 64.1 34.33 11.25 Favored 'General case' 0 C--O 1.233 0.189 0 CA-C-N 115.019 -0.991 . . . . 0.0 111.942 179.337 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 59' ' ' ILE . . . . . . . . . . . . . 66.1 mt -102.08 144.79 12.86 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.674 0 N-CA-C 108.877 -0.786 . . . . 0.0 108.877 174.396 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 60.9 tttp -63.45 119.79 56.59 Favored Pre-proline 0 C--N 1.329 -0.313 0 N-CA-C 110.423 -0.214 . . . . 0.0 110.423 178.457 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 61' ' ' PRO . . . . . 0.549 ' HA ' HD13 ' B' ' 54' ' ' LEU . 32.2 Cg_exo -59.27 115.4 2.55 Favored 'Trans proline' 0 N--CA 1.46 -0.457 0 C-N-CA 122.366 2.044 . . . . 0.0 111.331 175.853 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 62' ' ' SER . . . . . 0.414 ' HB2' HD23 ' B' ' 65' ' ' LEU . 9.7 m -57.22 147.45 25.17 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.321 0.581 . . . . 0.0 110.886 -179.275 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 97.5 mt -61.82 -23.45 66.25 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.179 -0.919 . . . . 0.0 112.039 -173.625 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -62.77 -43.66 98.61 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.55 -0.834 . . . . 0.0 111.519 174.487 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 65' ' ' LEU . . . . . 0.523 ' O ' ' HB2' ' B' ' 69' ' ' TRP . 3.5 mm? -66.59 -44.14 82.99 Favored 'General case' 0 C--O 1.22 -0.47 0 N-CA-C 109.932 -0.395 . . . . 0.0 109.932 177.457 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 66' ' ' ILE . . . . . 0.479 HD11 ' HB2' ' B' ' 61' ' ' PRO . 41.3 mm -66.2 -34.75 72.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.393 -177.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 67' ' ' ASN . . . . . . . . . . . . . 65.4 t30 -70.58 -42.94 70.4 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.685 -178.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 68' ' ' ARG . . . . . . . . . . . . . 67.9 ttt180 -86.81 -12.73 47.14 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.248 0.547 . . . . 0.0 110.138 -177.399 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 69' ' ' TRP . . . . . 0.523 ' HB2' ' O ' ' B' ' 65' ' ' LEU . 15.9 t90 -51.41 -53.1 40.12 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.009 -0.996 . . . . 0.0 110.955 178.499 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . -86.59 20.19 24.58 Favored Glycine 0 N--CA 1.45 -0.432 0 C-N-CA 120.529 -0.843 . . . . 0.0 112.187 -179.877 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 71' ' ' SER . . . . . . . . . . . . . 18.1 t -123.1 9.72 9.32 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.349 0.595 . . . . 0.0 109.642 178.683 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 72' ' ' VAL . . . . . 0.59 HG13 ' HB ' ' B' ' 44' ' ' ILE . 79.3 t -80.51 -17.23 12.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 122.348 1.071 . . . . 0.0 110.592 179.552 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 73' ' ' GLY . . . . . . . . . . . . . . . 81.23 120.05 0.48 Allowed Glycine 0 C--N 1.304 -1.217 0 CA-C-N 113.648 -1.614 . . . . 0.0 110.091 -169.575 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 74' ' ' LYS . . . . . 0.504 ' O ' ' HG3' ' B' ' 78' ' ' MET . 9.6 ptpp? -64.4 -21.79 66.75 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 117.427 0.614 . . . . 0.0 109.946 -176.631 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 75' ' ' LYS . . . . . . . . . . . . . 52.7 tptt -64.36 -54.44 32.96 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.423 -0.808 . . . . 0.0 110.031 173.724 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 20.8 tp10 -66.85 -35.94 81.19 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.083 179.271 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 77' ' ' ALA . . . . . 0.621 ' O ' HG12 ' B' ' 81' ' ' ILE . . . -57.45 -43.68 84.16 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.674 177.818 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 78' ' ' MET . . . . . 0.609 ' O ' ' HG2' ' B' ' 82' ' ' LYS . 68.5 mtt -59.15 -49.1 79.14 Favored 'General case' 0 CA--C 1.52 -0.199 0 N-CA-C 109.782 -0.451 . . . . 0.0 109.782 176.137 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 79' ' ' GLU . . . . . . . . . . . . . 45.8 mm-40 -57.71 -42.04 82.96 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.514 -0.767 . . . . 0.0 111.255 178.737 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 80' ' ' ILE . . . . . 0.524 HG23 ' CZ ' ' A' ' 56' ' ' PHE . 93.2 mt -60.5 -56.23 19.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-N 115.582 -0.735 . . . . 0.0 110.935 176.613 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 81' ' ' ILE . . . . . 0.621 HG12 ' O ' ' B' ' 77' ' ' ALA . 48.4 mm -56.17 -41.95 71.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.172 -176.625 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 82' ' ' LYS . . . . . 0.609 ' HG2' ' O ' ' B' ' 78' ' ' MET . 34.3 mmtp -59.96 -53.9 52.37 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.112 179.427 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 83' ' ' LYS . . . . . . . . . . . . . 57.9 mttp -71.79 -24.95 61.83 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.915 -176.891 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 84' ' ' PHE . . . . . 0.429 ' O ' ' HG ' ' B' ' 88' ' ' LEU . 1.7 t80 -64.9 -48.64 73.47 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 109.093 -0.706 . . . . 0.0 109.093 175.413 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 85' ' ' LYS . . . . . 0.457 ' HG3' ' O ' ' B' ' 81' ' ' ILE . 97.7 mttt -61.81 -35.07 77.14 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.372 -0.831 . . . . 0.0 111.108 178.722 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 86' ' ' LYS . . . . . 0.602 ' HG2' ' O ' ' B' ' 82' ' ' LYS . 32.0 mmmt -64.36 -44.19 92.17 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.917 179.915 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 87' ' ' ASP . . . . . 0.4 ' O ' ' HG2' ' B' ' 91' ' ' MET . 14.3 t70 -69.82 -36.03 75.28 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.035 0.445 . . . . 0.0 110.001 -178.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 88' ' ' LEU . . . . . 0.445 ' HB3' HD12 ' A' ' 81' ' ' ILE . 89.9 mt -61.86 -47.92 82.85 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.563 176.892 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -63.55 -35.9 82.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.897 -179.816 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 90' ' ' ALA . . . . . 0.537 ' O ' HG13 ' B' ' 94' ' ' ILE . . . -64.31 -49.73 70.6 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.396 177.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 91' ' ' MET . . . . . 0.579 ' O ' HG12 ' B' ' 95' ' ' ILE . 23.3 mmt -61.56 -36.73 81.45 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.03 -179.894 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 92' ' ' LEU . . . . . 0.439 ' HB2' HG13 ' A' ' 81' ' ' ILE . 68.6 tp -56.4 -49.52 74.27 Favored 'General case' 0 C--O 1.24 0.56 0 CA-C-O 121.348 0.594 . . . . 0.0 110.833 176.379 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 93' ' ' ARG . . . . . . . . . . . . . 72.8 ttt180 -61.48 -34.8 76.08 Favored 'General case' 0 N--CA 1.442 -0.848 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.484 -179.88 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 94' ' ' ILE . . . . . 0.548 ' O ' ' HG3' ' B' ' 98' ' ' ARG . 36.3 mt -72.17 -31.37 39.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.46 -0.336 . . . . 0.0 110.714 179.111 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 95' ' ' ILE . . . . . 0.579 HG12 ' O ' ' B' ' 91' ' ' MET . 23.2 mm -55.15 -47.75 77.0 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.282 0 N-CA-C 109.401 -0.592 . . . . 0.0 109.401 173.73 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 96' ' ' ASN . . . . . . . . . . . . . 41.5 t30 -69.22 -41.2 77.34 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.544 -0.753 . . . . 0.0 110.567 176.882 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 97' ' ' ALA . . . . . 0.44 ' HB3' ' HA ' ' B' ' 94' ' ' ILE . . . -62.56 -17.99 61.13 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 112.604 0.594 . . . . 0.0 112.604 -174.405 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 98' ' ' ARG . . . . . 0.548 ' HG3' ' O ' ' B' ' 94' ' ' ILE . 19.7 mtp180 . . . . . 0 C--N 1.33 -0.253 0 CA-C-O 120.906 0.384 . . . . 0.0 110.834 177.313 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . 0.439 ' HA2' ' HD3' ' A' ' 43' ' ' PRO . . . . . . . . 0 N--CA 1.442 -0.908 0 N-CA-C 111.85 -0.5 . . . . 0.0 111.85 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.51 ' O ' HG23 ' A' ' 47' ' ' VAL . 23.5 Cg_exo -64.65 176.59 2.75 Favored 'Trans proline' 0 C--N 1.343 0.254 0 C-N-CA 122.811 2.341 . . . . 0.0 112.112 176.28 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 22.0 pt -51.14 -39.26 19.99 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.395 0 N-CA-C 112.627 0.603 . . . . 0.0 112.627 -173.823 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 97.7 mtt180 -61.54 -45.58 93.56 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.284 0.564 . . . . 0.0 110.634 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . 0.587 ' HG2' ' HA ' ' B' ' 57' ' ' THR . 72.5 mtp -70.48 -28.04 64.68 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.63 -0.714 . . . . 0.0 111.154 -179.631 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.51 HG23 ' O ' ' A' ' 43' ' ' PRO . 83.3 t -61.86 -48.18 89.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 120.777 0.323 . . . . 0.0 110.419 177.251 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 87.4 mt -64.52 -37.9 89.14 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.622 178.338 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -66.15 -48.99 68.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.563 179.16 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.404 ' O ' ' HB3' ' A' ' 53' ' ' PHE . 15.9 tt -71.36 -26.83 27.37 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-O 120.733 0.301 . . . . 0.0 110.667 -177.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.661 ' O ' ' HG2' ' A' ' 55' ' ' ARG . 11.7 tp -65.33 -54.3 30.94 Favored 'General case' 0 N--CA 1.451 -0.415 0 N-CA-C 109.7 -0.481 . . . . 0.0 109.7 177.097 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -56.93 -40.12 75.76 Favored 'General case' 0 CA--C 1.516 -0.33 0 O-C-N 123.35 0.407 . . . . 0.0 110.303 178.345 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.434 ' CE1' HG21 ' A' ' 57' ' ' THR . 71.1 t80 -51.13 -60.82 2.69 Favored 'General case' 0 N--CA 1.451 -0.399 0 CA-C-N 115.406 -0.815 . . . . 0.0 109.871 173.136 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 96.1 mt -63.08 -23.32 67.39 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.304 -0.407 . . . . 0.0 112.087 -178.466 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.661 ' HG2' ' O ' ' A' ' 51' ' ' LEU . 15.9 mmm180 -72.22 -43.78 63.92 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-O 120.773 0.321 . . . . 0.0 111.073 178.58 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . 0.517 ' CZ ' ' HA ' ' B' ' 84' ' ' PHE . 57.9 m-85 -96.56 -14.99 21.85 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 112.172 0.434 . . . . 0.0 112.172 -175.213 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . 0.57 ' HA ' ' HG2' ' B' ' 46' ' ' MET . 73.2 p -100.8 -23.96 14.49 Favored 'General case' 0 C--N 1.325 -0.488 0 C-N-CA 120.284 -0.566 . . . . 0.0 111.602 178.753 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -131.5 -164.7 1.48 Allowed 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.691 -175.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 50.0 mm -93.38 -67.64 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-O 121.589 0.709 . . . . 0.0 110.701 179.568 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . 0.422 ' HA ' ' HD3' ' A' ' 61' ' ' PRO . 88.6 tttt -131.33 127.01 21.61 Favored Pre-proline 0 C--N 1.301 -1.541 0 CA-C-N 114.523 -1.217 . . . . 0.0 110.936 -178.438 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . 0.422 ' HD3' ' HA ' ' A' ' 60' ' ' LYS . 28.6 Cg_exo -63.32 151.36 85.25 Favored 'Trans proline' 0 C--N 1.344 0.304 0 C-N-CA 123.093 2.528 . . . . 0.0 112.324 176.113 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 14.7 m -65.79 147.56 53.18 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.663 -0.699 . . . . 0.0 111.123 179.909 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 88.8 mt -63.53 -19.96 65.22 Favored 'General case' 0 C--N 1.334 -0.105 0 CA-C-N 115.268 -0.878 . . . . 0.0 112.066 -173.851 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -62.96 -46.18 94.1 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.895 -0.669 . . . . 0.0 111.503 174.808 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -67.62 -38.49 83.99 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 109.636 -0.505 . . . . 0.0 109.636 177.206 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 47.2 mm -61.91 -35.15 66.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.89 178.191 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 27.5 t-20 -69.42 -41.44 76.34 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.901 179.028 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 27.9 ttm180 -79.56 -18.53 51.54 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.349 0.595 . . . . 0.0 110.084 -178.776 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' TRP . . . . . 0.572 ' NE1' HD11 ' B' ' 95' ' ' ILE . 16.9 t90 -58.61 -47.73 83.37 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 114.918 -1.037 . . . . 0.0 110.997 179.328 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -78.21 0.49 73.86 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.814 -0.708 . . . . 0.0 112.681 -179.807 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 19.4 m -92.02 -3.98 55.1 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.09 0.471 . . . . 0.0 110.512 179.701 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 45.6 t -77.64 140.58 16.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-N 115.89 -0.595 . . . . 0.0 109.996 178.004 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -64.71 135.8 38.46 Favored Glycine 0 N--CA 1.439 -1.106 0 N-CA-C 110.512 -1.035 . . . . 0.0 110.512 174.467 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.465 ' O ' ' HG3' ' A' ' 78' ' ' MET . 30.5 mmtm -68.04 -33.36 74.43 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-O 121.162 0.506 . . . . 0.0 109.721 -173.032 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 20.7 tptm -69.21 -47.43 64.83 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.363 -0.835 . . . . 0.0 110.023 174.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . 0.43 ' O ' HG13 ' A' ' 80' ' ' ILE . 5.1 tp10 -59.72 -43.83 93.98 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.358 -0.837 . . . . 0.0 109.936 -179.471 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.401 ' O ' HG12 ' A' ' 81' ' ' ILE . . . -58.36 -42.53 87.12 Favored 'General case' 0 N--CA 1.453 -0.292 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.908 179.038 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . 0.465 ' HG3' ' O ' ' A' ' 74' ' ' LYS . 61.1 mtt -58.16 -43.96 87.7 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-O 120.932 0.396 . . . . 0.0 110.646 179.43 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.448 ' O ' ' HG3' ' A' ' 83' ' ' LYS . 36.5 mt-10 -72.39 -40.42 67.24 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.773 -0.649 . . . . 0.0 111.209 -178.788 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.43 HG13 ' O ' ' A' ' 76' ' ' GLU . 96.4 mt -62.04 -47.98 90.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.683 0.278 . . . . 0.0 110.598 178.39 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.401 HG12 ' O ' ' A' ' 77' ' ' ALA . 39.1 mm -61.02 -37.05 76.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.716 178.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . 0.407 ' NZ ' ' HB2' ' A' ' 82' ' ' LYS . 0.0 OUTLIER -62.08 -46.97 86.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.337 176.766 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . 0.448 ' HG3' ' O ' ' A' ' 79' ' ' GLU . 90.9 mttt -67.2 -35.95 80.7 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.538 179.54 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . 0.529 ' HA ' ' CZ ' ' B' ' 56' ' ' PHE . 2.2 t80 -62.41 -49.72 74.37 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.066 179.629 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -63.14 -31.59 72.77 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.735 178.489 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 16.8 tppt? -65.21 -47.3 77.35 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.409 179.147 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -68.4 -32.26 72.2 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.771 -179.605 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.462 ' HG ' ' O ' ' A' ' 84' ' ' PHE . 91.8 mt -66.03 -38.66 88.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.476 175.6 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . 0.447 ' O ' ' HG3' ' A' ' 93' ' ' ARG . . . -62.18 -47.97 82.13 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.321 177.783 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . 0.613 ' O ' HG13 ' A' ' 94' ' ' ILE . . . -60.45 -48.35 82.15 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.159 176.656 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' MET . . . . . 0.449 ' O ' HG12 ' A' ' 95' ' ' ILE . 39.4 ttm -51.9 -49.23 63.44 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.414 -0.812 . . . . 0.0 111.013 178.613 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 48.8 tp -56.74 -46.17 81.53 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.546 -0.752 . . . . 0.0 111.545 -179.236 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . 0.447 ' HG3' ' O ' ' A' ' 89' ' ' ALA . 27.0 mtm180 -64.95 -33.9 77.14 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.328 -0.397 . . . . 0.0 110.788 -177.829 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . 0.613 HG13 ' O ' ' A' ' 90' ' ' ALA . 25.9 mt -73.05 -31.2 34.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.599 -0.273 . . . . 0.0 110.556 179.462 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.57 HD11 ' NE1' ' B' ' 69' ' ' TRP . 24.4 mm -55.99 -50.14 71.24 Favored 'Isoleucine or valine' 0 C--O 1.232 0.151 0 CA-C-O 121.6 0.714 . . . . 0.0 109.164 171.821 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 43.4 m-80 -67.46 -21.6 65.53 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.026 -0.988 . . . . 0.0 110.741 178.722 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -82.58 10.79 6.67 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 120.913 0.387 . . . . 0.0 110.662 178.036 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . 0.483 ' NE ' ' HA ' ' A' ' 98' ' ' ARG . 4.0 mmp_? . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.685 178.164 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 42' ' ' GLY . . . . . 0.4 ' HA2' ' HD3' ' B' ' 43' ' ' PRO . . . . . . . . 0 N--CA 1.44 -1.036 0 N-CA-C 111.844 -0.502 . . . . 0.0 111.844 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 43' ' ' PRO . . . . . 0.495 ' O ' HG23 ' B' ' 47' ' ' VAL . 23.5 Cg_exo -64.94 176.68 2.85 Favored 'Trans proline' 0 C--N 1.342 0.235 0 C-N-CA 122.759 2.306 . . . . 0.0 112.072 176.036 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 21.9 pt -51.05 -39.28 19.46 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.382 0 N-CA-C 112.695 0.628 . . . . 0.0 112.695 -173.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 97.7 mtt180 -61.73 -45.61 93.22 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.189 0.519 . . . . 0.0 110.566 -179.892 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 46' ' ' MET . . . . . 0.57 ' HG2' ' HA ' ' A' ' 57' ' ' THR . 72.5 mtp -70.33 -28.0 64.81 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.626 -0.716 . . . . 0.0 111.225 -179.773 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 47' ' ' VAL . . . . . 0.495 HG23 ' O ' ' B' ' 43' ' ' PRO . 83.4 t -61.84 -48.19 89.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 120.852 0.358 . . . . 0.0 110.466 177.221 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 86.5 mt -64.54 -37.8 88.8 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.586 178.378 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -66.24 -48.93 68.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.544 179.178 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 50' ' ' ILE . . . . . 0.403 ' O ' ' HB3' ' B' ' 53' ' ' PHE . 15.8 tt -71.43 -26.82 27.19 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 CA-C-O 120.704 0.287 . . . . 0.0 110.668 -178.003 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 51' ' ' LEU . . . . . 0.669 ' O ' ' HG2' ' B' ' 55' ' ' ARG . 11.6 tp -65.39 -54.2 32.15 Favored 'General case' 0 N--CA 1.45 -0.454 0 N-CA-C 109.744 -0.465 . . . . 0.0 109.744 177.077 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -56.96 -40.1 75.82 Favored 'General case' 0 CA--C 1.517 -0.307 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.327 178.384 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 53' ' ' PHE . . . . . 0.437 ' CE1' HG21 ' B' ' 57' ' ' THR . 71.1 t80 -51.19 -60.79 2.73 Favored 'General case' 0 N--CA 1.451 -0.397 0 CA-C-N 115.318 -0.856 . . . . 0.0 109.889 173.161 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 54' ' ' LEU . . . . . . . . . . . . . 96.3 mt -63.07 -23.35 67.41 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 112.088 0.403 . . . . 0.0 112.088 -178.505 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 55' ' ' ARG . . . . . 0.669 ' HG2' ' O ' ' B' ' 51' ' ' LEU . 15.8 mmm180 -72.07 -43.99 64.0 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.845 0.355 . . . . 0.0 111.093 178.613 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 56' ' ' PHE . . . . . 0.529 ' CZ ' ' HA ' ' A' ' 84' ' ' PHE . 58.1 m-85 -96.54 -14.81 22.01 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 112.203 0.446 . . . . 0.0 112.203 -175.198 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 57' ' ' THR . . . . . 0.587 ' HA ' ' HG2' ' A' ' 46' ' ' MET . 73.2 p -101.0 -23.65 14.48 Favored 'General case' 0 C--N 1.326 -0.451 0 C-N-CA 120.3 -0.56 . . . . 0.0 111.662 178.6 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -131.69 -164.68 1.48 Allowed 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.729 -176.041 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 59' ' ' ILE . . . . . . . . . . . . . 49.8 mm -93.31 -67.62 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 CA-C-O 121.656 0.741 . . . . 0.0 110.661 179.42 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 60' ' ' LYS . . . . . 0.434 ' HA ' ' HD3' ' B' ' 61' ' ' PRO . 88.5 tttt -131.48 127.18 21.52 Favored Pre-proline 0 C--N 1.3 -1.559 0 CA-C-N 114.54 -1.209 . . . . 0.0 110.999 -178.316 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 61' ' ' PRO . . . . . 0.434 ' HD3' ' HA ' ' B' ' 60' ' ' LYS . 29.3 Cg_exo -63.28 151.36 85.23 Favored 'Trans proline' 0 C--O 1.235 0.359 0 C-N-CA 123.064 2.509 . . . . 0.0 112.394 176.315 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 14.1 m -65.59 147.68 53.01 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.753 -0.658 . . . . 0.0 111.062 179.758 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 89.3 mt -63.91 -19.39 65.06 Favored 'General case' 0 C--N 1.333 -0.118 0 CA-C-N 115.31 -0.859 . . . . 0.0 111.96 -173.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -63.51 -45.8 93.92 Favored Glycine 0 N--CA 1.45 -0.415 0 C-N-CA 120.709 -0.758 . . . . 0.0 111.534 174.739 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -67.69 -38.71 84.06 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 109.611 -0.514 . . . . 0.0 109.611 177.156 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 66' ' ' ILE . . . . . . . . . . . . . 47.2 mm -61.71 -35.29 66.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.882 178.205 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 67' ' ' ASN . . . . . . . . . . . . . 27.4 t-20 -69.11 -42.26 76.32 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.707 179.084 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 68' ' ' ARG . . . . . . . . . . . . . 27.8 ttm180 -79.04 -18.46 53.48 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.387 0.613 . . . . 0.0 110.086 -178.543 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 69' ' ' TRP . . . . . 0.57 ' NE1' HD11 ' A' ' 95' ' ' ILE . 16.9 t90 -58.63 -47.77 83.27 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.001 -1.0 . . . . 0.0 111.019 179.259 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . -77.77 -0.2 73.67 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.695 -179.76 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 71' ' ' SER . . . . . . . . . . . . . 21.0 m -91.53 -4.28 55.6 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.115 0.483 . . . . 0.0 110.622 -179.901 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 72' ' ' VAL . . . . . . . . . . . . . 44.9 t -77.42 140.21 17.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.055 177.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 73' ' ' GLY . . . . . . . . . . . . . . . -64.42 135.9 39.34 Favored Glycine 0 N--CA 1.44 -1.097 0 N-CA-C 110.411 -1.076 . . . . 0.0 110.411 174.563 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 74' ' ' LYS . . . . . 0.475 ' O ' ' HG3' ' B' ' 78' ' ' MET . 30.7 mmtm -68.37 -33.2 73.84 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-O 121.136 0.493 . . . . 0.0 109.712 -172.896 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 75' ' ' LYS . . . . . . . . . . . . . 20.8 tptm -69.17 -47.7 64.24 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.448 -0.796 . . . . 0.0 110.056 174.715 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 76' ' ' GLU . . . . . 0.427 ' O ' HG13 ' B' ' 80' ' ' ILE . 5.2 tp10 -59.43 -43.79 93.02 Favored 'General case' 0 N--CA 1.451 -0.38 0 CA-C-N 115.448 -0.796 . . . . 0.0 109.987 -179.442 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 77' ' ' ALA . . . . . . . . . . . . . . . -58.41 -42.63 87.61 Favored 'General case' 0 N--CA 1.454 -0.269 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.88 179.098 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 78' ' ' MET . . . . . 0.475 ' HG3' ' O ' ' B' ' 74' ' ' LYS . 61.2 mtt -57.96 -43.75 86.64 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.722 179.358 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 79' ' ' GLU . . . . . 0.443 ' O ' ' HG3' ' B' ' 83' ' ' LYS . 37.0 mt-10 -72.86 -40.07 65.98 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.79 -0.641 . . . . 0.0 111.123 -178.637 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 80' ' ' ILE . . . . . 0.427 HG13 ' O ' ' B' ' 76' ' ' GLU . 96.6 mt -62.2 -47.89 90.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.674 0.273 . . . . 0.0 110.62 178.293 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 81' ' ' ILE . . . . . . . . . . . . . 39.1 mm -61.14 -37.11 76.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.735 179.025 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 82' ' ' LYS . . . . . 0.413 ' HB2' ' NZ ' ' B' ' 82' ' ' LYS . 0.0 OUTLIER -62.1 -46.93 86.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.35 176.726 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 83' ' ' LYS . . . . . 0.443 ' HG3' ' O ' ' B' ' 79' ' ' GLU . 90.8 mttt -67.1 -36.09 81.2 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.53 179.427 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 84' ' ' PHE . . . . . 0.517 ' HA ' ' CZ ' ' A' ' 56' ' ' PHE . 2.2 t80 -62.28 -49.83 74.09 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.046 179.725 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 85' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -62.98 -31.44 72.56 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.74 178.479 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 86' ' ' LYS . . . . . . . . . . . . . 16.8 tppt? -65.63 -46.75 78.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.449 179.47 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 87' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -68.73 -32.29 71.96 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.727 -179.678 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 88' ' ' LEU . . . . . 0.459 ' HG ' ' O ' ' B' ' 84' ' ' PHE . 92.0 mt -66.12 -38.68 88.76 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.46 175.677 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 89' ' ' ALA . . . . . 0.455 ' O ' ' HG3' ' B' ' 93' ' ' ARG . . . -62.13 -47.71 83.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.359 177.649 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 90' ' ' ALA . . . . . 0.618 ' O ' HG13 ' B' ' 94' ' ' ILE . . . -60.73 -48.1 83.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.176 176.749 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 91' ' ' MET . . . . . 0.451 ' O ' HG12 ' B' ' 95' ' ' ILE . 40.0 ttm -52.19 -49.22 64.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.404 -0.816 . . . . 0.0 110.891 178.678 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 92' ' ' LEU . . . . . . . . . . . . . 48.9 tp -56.63 -46.31 81.05 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.588 -0.733 . . . . 0.0 111.485 -179.236 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 93' ' ' ARG . . . . . 0.455 ' HG3' ' O ' ' B' ' 89' ' ' ALA . 26.6 mtm180 -64.8 -34.12 77.6 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.83 -177.836 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 94' ' ' ILE . . . . . 0.618 HG13 ' O ' ' B' ' 90' ' ' ALA . 24.5 mt -72.78 -31.38 36.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.662 -0.245 . . . . 0.0 110.544 179.453 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 95' ' ' ILE . . . . . 0.572 HD11 ' NE1' ' A' ' 69' ' ' TRP . 24.4 mm -55.88 -49.88 72.19 Favored 'Isoleucine or valine' 0 C--O 1.232 0.176 0 N-CA-C 109.093 -0.706 . . . . 0.0 109.093 171.805 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 96' ' ' ASN . . . . . . . . . . . . . 44.4 m-80 -67.69 -21.62 65.32 Favored 'General case' 0 CA--C 1.517 -0.302 0 CA-C-N 115.142 -0.935 . . . . 0.0 110.817 178.785 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 97' ' ' ALA . . . . . . . . . . . . . . . -82.59 10.64 6.98 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 120.892 0.377 . . . . 0.0 110.789 178.143 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 98' ' ' ARG . . . . . 0.489 ' HA ' ' NE ' ' B' ' 98' ' ' ARG . 4.1 mmp_? . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.6 178.186 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.522 0.483 0 CA-C-O 119.257 -0.746 . . . . 0.0 113.824 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 71.5 Cg_exo -43.68 157.57 0.13 Allowed 'Trans proline' 0 C--N 1.351 0.707 0 C-N-CA 123.521 2.814 . . . . 0.0 113.804 174.237 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 18.9 pt -53.0 -36.48 24.23 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.457 0 N-CA-C 114.053 1.131 . . . . 0.0 114.053 -168.29 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . 0.449 ' HG2' HG12 ' A' ' 80' ' ' ILE . 95.6 mtt180 -60.03 -44.03 94.92 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-O 121.501 0.667 . . . . 0.0 110.163 176.59 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . 0.618 ' O ' HG13 ' A' ' 50' ' ' ILE . 1.7 mpt? -69.85 -29.56 66.84 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.147 -0.933 . . . . 0.0 110.527 179.65 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.407 ' CG2' ' HD2' ' A' ' 68' ' ' ARG . 96.2 t -58.28 -46.75 88.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-O 120.659 0.266 . . . . 0.0 110.441 177.167 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 11.1 mp -66.26 -35.67 81.01 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.942 177.476 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -66.86 -46.75 74.05 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.9 0.381 . . . . 0.0 111.23 177.61 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.618 HG13 ' O ' ' A' ' 46' ' ' MET . 66.2 mt -64.95 -33.8 66.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.059 -0.519 . . . . 0.0 109.686 177.755 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.505 ' O ' ' HG2' ' A' ' 55' ' ' ARG . 5.4 tp -59.8 -55.95 27.84 Favored 'General case' 0 N--CA 1.451 -0.422 0 CA-C-N 115.659 -0.701 . . . . 0.0 110.046 175.725 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -55.29 -39.03 69.39 Favored 'General case' 0 C--O 1.233 0.205 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.771 179.458 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.421 ' HB3' ' O ' ' A' ' 50' ' ' ILE . 77.2 t80 -54.84 -57.58 11.0 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.672 -0.694 . . . . 0.0 110.003 173.867 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 94.7 mt -69.32 -11.51 60.87 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.848 -178.191 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.505 ' HG2' ' O ' ' A' ' 51' ' ' LEU . 23.1 mmm180 -81.8 -48.48 11.55 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.092 0.472 . . . . 0.0 110.786 176.196 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . 0.407 ' O ' ' HG3' ' B' ' 46' ' ' MET . 77.2 m-85 -96.78 -15.52 21.3 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.052 -0.522 . . . . 0.0 112.292 -173.774 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 12.0 p -110.24 -3.34 16.33 Favored 'General case' 0 C--N 1.325 -0.477 0 C-N-CA 120.274 -0.57 . . . . 0.0 111.225 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -152.18 179.51 8.45 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.722 -175.562 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 50.0 mm -114.72 113.76 44.62 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-N 115.887 -0.597 . . . . 0.0 109.809 176.875 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 20.8 ttpt 68.3 110.2 0.03 OUTLIER Pre-proline 0 N--CA 1.464 0.266 0 O-C-N 123.971 0.795 . . . . 0.0 111.224 -179.335 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 36.9 Cg_exo -61.04 147.66 95.06 Favored 'Trans proline' 0 C--O 1.232 0.215 0 C-N-CA 122.544 2.163 . . . . 0.0 111.61 174.6 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 9.5 m -61.81 141.9 57.64 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.472 -179.091 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 89.7 mt -61.62 -23.41 66.02 Favored 'General case' 0 N--CA 1.462 0.157 0 CA-C-N 115.612 -0.722 . . . . 0.0 112.356 -171.753 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -62.43 -47.05 92.29 Favored Glycine 0 C--O 1.24 0.472 0 C-N-CA 120.478 -0.868 . . . . 0.0 111.338 174.68 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -64.71 -42.42 95.28 Favored 'General case' 0 C--O 1.22 -0.482 0 N-CA-C 109.891 -0.411 . . . . 0.0 109.891 176.678 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 39.6 mm -59.18 -42.09 85.75 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.257 0 CA-C-O 121.135 0.493 . . . . 0.0 110.857 178.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 27.4 t-20 -59.41 -44.92 92.76 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.98 179.006 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . 0.407 ' HD2' ' CG2' ' A' ' 47' ' ' VAL . 29.8 ttm180 -78.05 -28.38 48.95 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.348 0.594 . . . . 0.0 109.546 -177.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' TRP . . . . . 0.608 ' NE1' HD11 ' B' ' 95' ' ' ILE . 31.9 t90 -60.51 -46.43 90.19 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 114.842 -1.072 . . . . 0.0 110.61 177.783 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -71.73 -15.01 75.6 Favored Glycine 0 N--CA 1.449 -0.443 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.327 177.534 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 25.2 m -87.82 -14.49 39.4 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.781 0.324 . . . . 0.0 110.955 -178.654 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 55.0 t -63.58 136.41 26.28 Favored 'Isoleucine or valine' 0 C--O 1.239 0.539 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.602 178.131 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -62.91 140.4 45.65 Favored Glycine 0 N--CA 1.443 -0.847 0 N-CA-C 111.127 -0.789 . . . . 0.0 111.127 177.121 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.425 ' CD ' HG22 ' B' ' 95' ' ' ILE . 41.4 mmtt -72.3 -32.18 66.35 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-O 120.998 0.427 . . . . 0.0 110.029 -171.648 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 22.8 tptm -65.91 -47.9 73.21 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.648 -0.705 . . . . 0.0 109.446 173.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . 0.606 ' O ' HG13 ' A' ' 80' ' ' ILE . 5.1 tp10 -58.91 -48.26 82.07 Favored 'General case' 0 N--CA 1.448 -0.554 0 CA-C-N 115.077 -0.965 . . . . 0.0 109.89 179.651 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.401 ' O ' HG12 ' A' ' 81' ' ' ILE . . . -56.55 -41.77 77.41 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.46 -178.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . 0.407 ' HG3' ' O ' ' A' ' 74' ' ' LYS . 63.9 mtt -59.42 -43.12 93.1 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-O 120.832 0.348 . . . . 0.0 110.55 178.662 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.528 ' O ' ' HG2' ' A' ' 83' ' ' LYS . 38.9 mt-10 -70.44 -40.78 73.56 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.804 179.2 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.606 HG13 ' O ' ' A' ' 76' ' ' GLU . 84.8 mt -60.56 -49.82 82.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.675 179.231 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.401 HG12 ' O ' ' A' ' 77' ' ' ALA . 42.6 mm -59.96 -37.73 73.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.58 178.848 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 57.9 tttm -62.54 -46.19 89.5 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.362 178.529 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . 0.528 ' HG2' ' O ' ' A' ' 79' ' ' GLU . 11.6 mmpt? -66.68 -38.24 86.39 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.385 178.713 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . 0.427 ' O ' ' HG ' ' A' ' 88' ' ' LEU . 2.2 t80 -62.2 -49.71 74.68 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.246 -179.011 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -61.57 -34.39 75.51 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.852 178.933 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 86.9 tttt -65.2 -44.44 88.36 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.662 178.914 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . 0.618 ' O ' ' HG3' ' A' ' 91' ' ' MET . 16.8 t70 -68.88 -35.61 77.09 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 110.05 -0.352 . . . . 0.0 110.05 -178.6 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.427 ' HG ' ' O ' ' A' ' 84' ' ' PHE . 93.0 mt -59.74 -39.54 85.11 Favored 'General case' 0 N--CA 1.463 0.175 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.457 175.396 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -62.82 -40.64 98.02 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.459 177.735 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . 0.487 ' O ' HG13 ' A' ' 94' ' ' ILE . . . -64.03 -44.86 91.24 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.284 177.082 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' MET . . . . . 0.618 ' HG3' ' O ' ' A' ' 87' ' ' ASP . 54.9 mtt -55.28 -50.17 70.22 Favored 'General case' 0 CA--C 1.52 -0.209 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.162 177.421 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 67.7 tp -53.08 -47.86 68.21 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.333 -0.848 . . . . 0.0 111.77 -178.369 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 77.1 ttt180 -63.29 -38.33 90.74 Favored 'General case' 0 N--CA 1.445 -0.714 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.716 -178.453 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . 0.487 HG13 ' O ' ' A' ' 90' ' ' ALA . 55.4 mt -71.14 -32.79 48.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.611 179.402 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.606 HD11 ' NE1' ' B' ' 69' ' ' TRP . 23.3 mm -53.71 -49.4 57.46 Favored 'Isoleucine or valine' 0 C--O 1.234 0.265 0 CA-C-O 121.315 0.579 . . . . 0.0 109.466 173.181 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 63.8 t30 -66.63 -35.98 81.49 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.096 -0.956 . . . . 0.0 110.72 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -68.33 -26.34 65.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.185 0.517 . . . . 0.0 110.45 177.832 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 36.0 mmt180 . . . . . 0 C--N 1.325 -0.467 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.99 177.443 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' B' B ' 42' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.522 0.52 0 CA-C-O 119.249 -0.751 . . . . 0.0 113.819 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' B' B ' 43' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_exo -43.92 157.4 0.15 Allowed 'Trans proline' 0 C--N 1.351 0.709 0 C-N-CA 123.473 2.782 . . . . 0.0 113.864 174.269 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 18.5 pt -52.66 -36.63 23.04 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.45 0 N-CA-C 114.032 1.123 . . . . 0.0 114.032 -168.242 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 45' ' ' ARG . . . . . 0.459 ' HG2' HG12 ' B' ' 80' ' ' ILE . 95.6 mtt180 -60.05 -43.85 95.1 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-O 121.48 0.657 . . . . 0.0 110.24 176.682 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 46' ' ' MET . . . . . 0.622 ' O ' HG13 ' B' ' 50' ' ' ILE . 1.7 mpt? -69.88 -29.62 66.88 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.145 -0.934 . . . . 0.0 110.574 179.564 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 47' ' ' VAL . . . . . 0.409 ' CG2' ' HD2' ' B' ' 68' ' ' ARG . 98.1 t -58.23 -46.85 88.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-O 120.636 0.255 . . . . 0.0 110.348 177.226 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 11.1 mp -66.21 -35.71 81.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.915 177.555 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -66.85 -46.68 74.27 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.841 0.353 . . . . 0.0 111.165 177.645 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 50' ' ' ILE . . . . . 0.622 HG13 ' O ' ' B' ' 46' ' ' MET . 66.1 mt -65.03 -33.96 67.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.074 -0.512 . . . . 0.0 109.65 177.811 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 51' ' ' LEU . . . . . 0.509 HD22 ' NE1' ' B' ' 69' ' ' TRP . 5.4 tp -59.64 -55.98 27.59 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.054 175.692 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -55.23 -39.06 69.26 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.859 179.379 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 53' ' ' PHE . . . . . 0.417 ' HB3' ' O ' ' B' ' 50' ' ' ILE . 77.2 t80 -54.77 -57.66 10.65 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.097 173.75 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 54' ' ' LEU . . . . . . . . . . . . . 94.8 mt -69.24 -11.5 60.85 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.922 -178.244 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 55' ' ' ARG . . . . . 0.504 ' HG2' ' O ' ' B' ' 51' ' ' LEU . 23.2 mmm180 -81.83 -48.29 11.76 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.992 0.425 . . . . 0.0 110.909 176.125 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 56' ' ' PHE . . . . . 0.416 ' O ' ' HG3' ' A' ' 46' ' ' MET . 77.2 m-85 -96.98 -15.34 21.15 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.055 -0.521 . . . . 0.0 112.314 -173.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 57' ' ' THR . . . . . . . . . . . . . 12.1 p -110.48 -3.16 16.18 Favored 'General case' 0 C--N 1.326 -0.429 0 C-N-CA 120.325 -0.55 . . . . 0.0 111.14 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -152.43 179.34 8.65 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.89 -175.686 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 59' ' ' ILE . . . . . . . . . . . . . 50.1 mm -114.48 113.8 44.79 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 CA-C-N 115.87 -0.605 . . . . 0.0 109.765 176.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 20.9 ttpt 68.05 110.06 0.03 OUTLIER Pre-proline 0 N--CA 1.464 0.265 0 O-C-N 123.864 0.727 . . . . 0.0 111.286 -179.441 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 61' ' ' PRO . . . . . . . . . . . . . 36.2 Cg_exo -60.98 147.48 95.58 Favored 'Trans proline' 0 C--O 1.234 0.294 0 C-N-CA 122.587 2.191 . . . . 0.0 111.559 174.708 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 10.5 m -61.64 141.88 57.52 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.564 -179.076 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 89.3 mt -61.36 -23.39 65.73 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-N 115.616 -0.72 . . . . 0.0 112.386 -171.792 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -62.68 -47.22 90.81 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.5 -0.857 . . . . 0.0 111.238 174.895 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -64.47 -42.24 96.03 Favored 'General case' 0 C--O 1.22 -0.482 0 N-CA-C 109.844 -0.428 . . . . 0.0 109.844 176.744 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 66' ' ' ILE . . . . . . . . . . . . . 39.4 mm -59.48 -41.75 85.65 Favored 'Isoleucine or valine' 0 C--O 1.234 0.238 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.87 179.034 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 67' ' ' ASN . . . . . . . . . . . . . 27.5 t-20 -59.71 -44.9 93.51 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.923 178.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 68' ' ' ARG . . . . . 0.409 ' HD2' ' CG2' ' B' ' 47' ' ' VAL . 29.7 ttm180 -77.91 -28.52 49.79 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.383 0.611 . . . . 0.0 109.622 -178.067 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 69' ' ' TRP . . . . . 0.606 ' NE1' HD11 ' A' ' 95' ' ' ILE . 31.9 t90 -60.41 -46.5 89.78 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 114.825 -1.08 . . . . 0.0 110.629 177.888 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . -71.74 -15.42 75.78 Favored Glycine 0 N--CA 1.449 -0.447 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.254 177.786 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 71' ' ' SER . . . . . . . . . . . . . 29.5 m -87.11 -15.11 39.43 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.744 0.307 . . . . 0.0 110.98 -178.646 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 72' ' ' VAL . . . . . . . . . . . . . 54.4 t -63.04 136.45 26.05 Favored 'Isoleucine or valine' 0 C--O 1.239 0.52 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.661 178.314 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 73' ' ' GLY . . . . . . . . . . . . . . . -62.72 139.96 45.57 Favored Glycine 0 N--CA 1.444 -0.788 0 N-CA-C 111.22 -0.752 . . . . 0.0 111.22 176.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 74' ' ' LYS . . . . . 0.436 ' CD ' HG22 ' A' ' 95' ' ' ILE . 41.5 mmtt -72.06 -31.8 66.47 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-O 120.956 0.408 . . . . 0.0 110.099 -171.763 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 75' ' ' LYS . . . . . . . . . . . . . 22.8 tptm -66.28 -47.68 72.87 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.694 -0.685 . . . . 0.0 109.471 174.117 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 76' ' ' GLU . . . . . 0.61 ' O ' HG13 ' B' ' 80' ' ' ILE . 5.1 tp10 -59.18 -48.2 82.51 Favored 'General case' 0 N--CA 1.449 -0.508 0 CA-C-N 114.855 -1.066 . . . . 0.0 109.76 179.739 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 77' ' ' ALA . . . . . . . . . . . . . . . -56.56 -41.76 77.44 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.844 -0.616 . . . . 0.0 111.456 -179.024 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 78' ' ' MET . . . . . . . . . . . . . 63.4 mtt -59.47 -43.03 93.32 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.94 0.4 . . . . 0.0 110.595 178.729 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 79' ' ' GLU . . . . . 0.522 ' O ' ' HG2' ' B' ' 83' ' ' LYS . 38.3 mt-10 -70.51 -40.84 73.28 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.831 179.18 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 80' ' ' ILE . . . . . 0.61 HG13 ' O ' ' B' ' 76' ' ' GLU . 84.3 mt -60.36 -49.72 83.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.8 179.137 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 81' ' ' ILE . . . . . . . . . . . . . 42.5 mm -60.25 -37.56 74.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.59 178.806 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 82' ' ' LYS . . . . . . . . . . . . . 57.9 tttm -62.64 -46.13 89.64 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.432 178.496 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 83' ' ' LYS . . . . . 0.522 ' HG2' ' O ' ' B' ' 79' ' ' GLU . 11.6 mmpt? -66.65 -38.39 86.78 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.418 178.581 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 84' ' ' PHE . . . . . 0.421 ' O ' ' HG ' ' B' ' 88' ' ' LEU . 2.2 t80 -62.22 -49.71 74.67 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.252 -179.014 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 85' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -61.44 -34.27 75.13 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.885 178.868 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 86' ' ' LYS . . . . . . . . . . . . . 86.9 tttt -65.34 -44.29 88.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.718 178.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 87' ' ' ASP . . . . . 0.645 ' O ' ' HG3' ' B' ' 91' ' ' MET . 17.0 t70 -69.19 -35.35 76.14 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 109.973 -0.38 . . . . 0.0 109.973 -178.406 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 88' ' ' LEU . . . . . 0.421 ' HG ' ' O ' ' B' ' 84' ' ' PHE . 93.1 mt -59.94 -39.51 85.78 Favored 'General case' 0 N--CA 1.462 0.148 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.381 175.412 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -62.98 -40.65 98.36 Favored 'General case' 0 C--O 1.235 0.33 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.396 177.801 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 90' ' ' ALA . . . . . 0.5 ' O ' HG13 ' B' ' 94' ' ' ILE . . . -63.74 -45.0 91.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.481 176.773 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 91' ' ' MET . . . . . 0.645 ' HG3' ' O ' ' B' ' 87' ' ' ASP . 54.9 mtt -55.33 -50.2 70.24 Favored 'General case' 0 CA--C 1.52 -0.185 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.192 177.373 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 92' ' ' LEU . . . . . . . . . . . . . 67.0 tp -53.17 -48.16 68.24 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-N 115.292 -0.867 . . . . 0.0 111.606 -178.181 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 93' ' ' ARG . . . . . . . . . . . . . 77.1 ttt180 -62.94 -38.18 90.01 Favored 'General case' 0 N--CA 1.444 -0.751 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.75 -178.433 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 94' ' ' ILE . . . . . 0.5 HG13 ' O ' ' B' ' 90' ' ' ALA . 56.2 mt -71.41 -32.69 47.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.56 179.567 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 95' ' ' ILE . . . . . 0.608 HD11 ' NE1' ' A' ' 69' ' ' TRP . 23.2 mm -53.66 -49.55 55.91 Favored 'Isoleucine or valine' 0 C--O 1.235 0.325 0 N-CA-C 109.442 -0.577 . . . . 0.0 109.442 173.08 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 96' ' ' ASN . . . . . . . . . . . . . 62.7 t30 -66.59 -35.98 81.51 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.081 -0.963 . . . . 0.0 110.655 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 97' ' ' ALA . . . . . . . . . . . . . . . -68.14 -26.88 66.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.258 0.552 . . . . 0.0 110.44 177.889 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 98' ' ' ARG . . . . . . . . . . . . . 36.0 mmt180 . . . . . 0 C--N 1.326 -0.429 0 CA-C-N 115.601 -0.727 . . . . 0.0 111.093 177.632 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . 0.589 ' HA3' ' SD ' ' A' ' 46' ' ' MET . . . . . . . . 0 N--CA 1.446 -0.653 0 N-CA-C 112.313 -0.315 . . . . 0.0 112.313 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.578 ' O ' HG23 ' A' ' 47' ' ' VAL . 31.4 Cg_exo -61.94 168.62 8.6 Favored 'Trans proline' 0 CA--C 1.528 0.224 0 C-N-CA 123.4 2.733 . . . . 0.0 112.709 178.274 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 13.4 pt -57.35 -35.5 49.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 N-CA-C 112.126 0.417 . . . . 0.0 112.126 -175.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . 0.41 HH11 ' HD3' ' A' ' 45' ' ' ARG . 44.4 mtp-105 -59.96 -45.63 92.04 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 121.307 0.575 . . . . 0.0 110.288 175.201 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . 0.589 ' SD ' ' HA3' ' A' ' 42' ' ' GLY . 56.4 ttm -68.04 -31.09 70.51 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.42 -0.809 . . . . 0.0 110.362 -179.802 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.578 HG23 ' O ' ' A' ' 43' ' ' PRO . 59.1 t -58.59 -48.99 84.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.55 177.068 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 88.4 mt -69.52 -29.83 67.53 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.807 179.571 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -69.69 -48.93 57.92 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.21 178.879 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 30.3 pt -70.28 -24.94 26.38 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-O 121.106 0.479 . . . . 0.0 110.343 179.49 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.432 HD22 ' CD1' ' A' ' 69' ' ' TRP . 10.7 tp -66.53 -49.01 67.92 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.741 -0.663 . . . . 0.0 109.782 173.913 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -57.88 -37.75 74.52 Favored 'General case' 0 C--O 1.233 0.192 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.423 178.349 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 82.3 t80 -55.79 -63.49 1.16 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.77 -0.65 . . . . 0.0 109.881 174.313 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 95.8 mt -66.09 -5.91 11.42 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.062 0.458 . . . . 0.0 112.018 -178.198 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 28.6 tpt180 -89.95 -51.36 5.52 Favored 'General case' 0 N--CA 1.425 -1.714 0 CA-C-O 120.919 0.39 . . . . 0.0 110.441 177.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 92.4 m-85 -89.0 -24.18 22.44 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.936 -175.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 30.7 p -90.85 2.91 55.74 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 109.851 -0.426 . . . . 0.0 109.851 177.063 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.411 ' O ' ' HB ' ' A' ' 59' ' ' ILE . . . 72.56 -172.34 0.15 Allowed 'General case' 0 C--O 1.231 0.089 0 CA-C-N 114.773 -1.103 . . . . 0.0 111.305 -179.225 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.411 ' HB ' ' O ' ' A' ' 58' ' ' ALA . 47.8 mm 71.84 105.21 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.464 0.238 0 O-C-N 123.728 0.642 . . . . 0.0 110.141 -172.458 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 58.1 tttp -62.2 126.73 88.35 Favored Pre-proline 0 C--N 1.326 -0.429 0 CA-C-N 115.496 -0.774 . . . . 0.0 111.259 -175.082 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 45.0 Cg_exo -56.43 138.1 82.84 Favored 'Trans proline' 0 C--N 1.345 0.367 0 C-N-CA 122.919 2.412 . . . . 0.0 111.826 176.58 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 16.4 m -69.27 165.13 21.24 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.101 -179.144 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -61.07 -28.82 69.35 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.712 -0.222 . . . . 0.0 111.302 -176.101 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -60.14 -43.18 98.6 Favored Glycine 0 N--CA 1.453 -0.212 0 C-N-CA 120.576 -0.821 . . . . 0.0 111.448 176.034 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -64.15 -47.65 79.07 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 109.682 -0.488 . . . . 0.0 109.682 177.511 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 50.4 mm -62.63 -36.58 75.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 115.475 -0.784 . . . . 0.0 111.274 -177.58 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 10.1 t30 -64.68 -43.61 93.01 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.88 178.621 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 51.0 ttp180 -76.59 -30.4 56.97 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.527 0.68 . . . . 0.0 109.683 -178.49 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' TRP . . . . . 0.466 ' CD1' HD11 ' B' ' 95' ' ' ILE . 39.0 t90 -57.96 -49.56 76.38 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 114.822 -1.081 . . . . 0.0 110.638 175.104 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -74.77 1.07 55.17 Favored Glycine 0 CA--C 1.521 0.454 0 C-N-CA 120.889 -0.672 . . . . 0.0 112.853 177.812 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 58.2 m -94.35 -13.52 26.3 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.775 0.322 . . . . 0.0 110.73 178.838 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 47.8 t -68.32 136.32 26.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 0.0 109.803 176.819 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -62.71 139.74 45.41 Favored Glycine 0 N--CA 1.443 -0.856 0 C-N-CA 120.782 -0.723 . . . . 0.0 111.414 178.109 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.515 ' O ' ' HG3' ' A' ' 78' ' ' MET . 25.5 mmtp -65.13 -39.93 93.73 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 109.388 -0.597 . . . . 0.0 109.388 -175.058 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 22.6 tptm -62.71 -47.33 84.07 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.234 -0.894 . . . . 0.0 110.248 176.144 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . 0.469 ' O ' HG13 ' A' ' 80' ' ' ILE . 9.5 tp10 -64.7 -41.33 96.09 Favored 'General case' 0 N--CA 1.45 -0.471 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.296 -178.381 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -57.15 -41.22 78.75 Favored 'General case' 0 N--CA 1.454 -0.232 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.525 178.394 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . 0.515 ' HG3' ' O ' ' A' ' 74' ' ' LYS . 66.3 mtt -60.91 -43.39 98.61 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.388 178.071 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -69.66 -39.66 76.92 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.927 -0.579 . . . . 0.0 111.254 -179.432 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.469 HG13 ' O ' ' A' ' 76' ' ' GLU . 88.7 mt -65.43 -50.42 72.71 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.68 178.699 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 43.5 mm -61.75 -34.31 61.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.512 179.362 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 24.0 tptm -60.32 -49.5 77.37 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.486 177.033 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 57.3 mttp -71.55 -28.72 64.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.532 179.877 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . 0.523 ' O ' ' HG ' ' A' ' 88' ' ' LEU . 2.0 t80 -62.38 -53.8 49.63 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.914 -0.585 . . . . 0.0 109.436 177.47 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -62.27 -35.11 77.97 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.844 -0.617 . . . . 0.0 110.779 178.131 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 6.7 tmtm? -62.71 -49.47 74.96 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.223 -179.591 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -69.64 -32.26 70.85 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.27 -178.009 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.523 ' HG ' ' O ' ' A' ' 84' ' ' PHE . 86.8 mt -63.0 -42.17 99.78 Favored 'General case' 0 N--CA 1.463 0.188 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.63 174.744 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -60.76 -44.54 96.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.459 179.071 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . 0.661 ' O ' HG13 ' A' ' 94' ' ' ILE . . . -61.89 -46.42 89.47 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.39 176.487 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 60.9 tpp -59.51 -40.76 88.13 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.695 -179.829 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 58.0 tp -58.77 -43.62 90.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.789 177.877 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 80.0 mtp180 -66.14 -29.44 69.74 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.098 179.86 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . 0.661 HG13 ' O ' ' A' ' 90' ' ' ALA . 12.7 mt -74.04 -34.96 40.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 C-N-CA 120.818 -0.353 . . . . 0.0 110.555 178.666 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.479 HD11 ' CD1' ' B' ' 69' ' ' TRP . 20.3 mm -55.54 -49.26 74.81 Favored 'Isoleucine or valine' 0 C--O 1.232 0.179 0 N-CA-C 109.16 -0.682 . . . . 0.0 109.16 173.08 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' ASN . . . . . 0.495 ' OD1' ' HB3' ' B' ' 74' ' ' LYS . 86.9 m-20 -59.42 -45.79 90.56 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.019 175.355 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -65.49 -6.5 10.78 Favored 'General case' 0 CA--C 1.53 0.204 0 CA-C-N 115.639 -0.71 . . . . 0.0 112.822 -175.262 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . 0.47 ' HD2' ' CZ3' ' B' ' 69' ' ' TRP . 5.6 mmp_? . . . . . 0 C--N 1.331 -0.201 0 CA-C-O 121.311 0.576 . . . . 0.0 109.712 172.397 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 42' ' ' GLY . . . . . 0.585 ' HA3' ' SD ' ' B' ' 46' ' ' MET . . . . . . . . 0 N--CA 1.446 -0.645 0 N-CA-C 112.329 -0.308 . . . . 0.0 112.329 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 43' ' ' PRO . . . . . 0.576 ' O ' HG23 ' B' ' 47' ' ' VAL . 31.3 Cg_exo -62.24 168.85 8.71 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 123.386 2.724 . . . . 0.0 112.741 178.059 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 13.2 pt -57.48 -35.47 49.89 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.412 0 N-CA-C 112.12 0.415 . . . . 0.0 112.12 -175.756 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 45' ' ' ARG . . . . . 0.401 HH11 ' HD3' ' B' ' 45' ' ' ARG . 44.9 mtp180 -60.06 -45.53 92.57 Favored 'General case' 0 N--CA 1.462 0.157 0 CA-C-O 121.235 0.54 . . . . 0.0 110.288 175.301 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 46' ' ' MET . . . . . 0.585 ' SD ' ' HA3' ' B' ' 42' ' ' GLY . 55.9 ttm -68.02 -31.15 70.63 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.496 -0.775 . . . . 0.0 110.411 -179.903 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 47' ' ' VAL . . . . . 0.576 HG23 ' O ' ' B' ' 43' ' ' PRO . 58.0 t -58.42 -49.15 83.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.568 176.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 87.9 mt -69.42 -30.0 67.85 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.724 179.665 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -69.57 -48.95 58.53 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.235 178.875 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 50' ' ' ILE . . . . . . . . . . . . . 30.3 pt -70.3 -24.8 26.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.902 0.382 . . . . 0.0 110.293 179.464 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 51' ' ' LEU . . . . . 0.44 HD22 ' CD1' ' B' ' 69' ' ' TRP . 10.6 tp -66.65 -49.04 67.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.874 -0.603 . . . . 0.0 109.711 173.941 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -57.83 -37.67 74.24 Favored 'General case' 0 C--O 1.233 0.213 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.427 178.34 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 53' ' ' PHE . . . . . . . . . . . . . 82.4 t80 -55.94 -63.31 1.22 Allowed 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.797 -0.638 . . . . 0.0 109.909 174.327 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 54' ' ' LEU . . . . . . . . . . . . . 95.8 mt -66.17 -5.84 11.47 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-O 121.039 0.447 . . . . 0.0 112.1 -178.272 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 55' ' ' ARG . . . . . . . . . . . . . 28.6 tpt180 -89.91 -51.46 5.47 Favored 'General case' 0 N--CA 1.425 -1.711 0 CA-C-O 120.949 0.404 . . . . 0.0 110.481 177.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 56' ' ' PHE . . . . . 0.42 ' CZ ' ' HA ' ' A' ' 84' ' ' PHE . 92.3 m-85 -88.95 -24.1 22.51 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.112 -0.494 . . . . 0.0 112.059 -175.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 57' ' ' THR . . . . . . . . . . . . . 31.0 p -90.81 2.56 55.98 Favored 'General case' 0 C--O 1.236 0.366 0 CA-C-O 121.053 0.454 . . . . 0.0 109.913 176.924 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 58' ' ' ALA . . . . . 0.422 ' O ' ' HB ' ' B' ' 59' ' ' ILE . . . 72.73 -172.46 0.14 Allowed 'General case' 0 N--CA 1.462 0.127 0 CA-C-N 114.737 -1.12 . . . . 0.0 111.173 -179.154 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 59' ' ' ILE . . . . . 0.422 ' HB ' ' O ' ' B' ' 58' ' ' ALA . 47.5 mm 72.03 105.39 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.462 0.173 0 O-C-N 123.723 0.64 . . . . 0.0 110.169 -172.459 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 58.4 tttp -62.38 126.91 89.02 Favored Pre-proline 0 C--N 1.327 -0.405 0 CA-C-N 115.438 -0.801 . . . . 0.0 111.094 -174.916 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 61' ' ' PRO . . . . . . . . . . . . . 45.1 Cg_exo -56.44 138.49 84.31 Favored 'Trans proline' 0 C--N 1.345 0.392 0 C-N-CA 122.892 2.395 . . . . 0.0 111.878 176.362 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 16.0 m -69.65 164.9 22.36 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.056 -179.111 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 63' ' ' LEU . . . . . 0.403 HD13 ' HA ' ' B' ' 63' ' ' LEU . 4.2 mm? -60.68 -29.11 69.1 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.702 -0.226 . . . . 0.0 111.241 -176.348 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -60.34 -42.64 98.93 Favored Glycine 0 C--O 1.237 0.289 0 C-N-CA 120.542 -0.837 . . . . 0.0 111.558 176.372 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -64.43 -47.7 78.12 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 109.737 -0.468 . . . . 0.0 109.737 177.187 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 66' ' ' ILE . . . . . . . . . . . . . 50.3 mm -62.71 -36.56 75.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 115.462 -0.79 . . . . 0.0 111.334 -177.567 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 67' ' ' ASN . . . . . . . . . . . . . 10.2 t30 -64.63 -43.52 93.43 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.797 178.436 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 68' ' ' ARG . . . . . . . . . . . . . 51.0 ttp180 -76.55 -30.5 57.11 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.508 0.67 . . . . 0.0 109.767 -178.53 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 69' ' ' TRP . . . . . 0.479 ' CD1' HD11 ' A' ' 95' ' ' ILE . 39.3 t90 -57.86 -49.36 76.95 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 114.772 -1.104 . . . . 0.0 110.738 175.112 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . -75.13 1.56 55.28 Favored Glycine 0 CA--C 1.521 0.439 0 C-N-CA 120.943 -0.646 . . . . 0.0 112.829 177.684 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 71' ' ' SER . . . . . . . . . . . . . 55.8 m -94.61 -13.74 25.63 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 122.62 -0.341 . . . . 0.0 110.657 178.724 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 72' ' ' VAL . . . . . . . . . . . . . 47.3 t -68.06 136.43 26.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.227 -0.442 . . . . 0.0 109.851 176.835 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 73' ' ' GLY . . . . . . . . . . . . . . . -62.98 139.84 45.1 Favored Glycine 0 N--CA 1.446 -0.69 0 C-N-CA 120.691 -0.766 . . . . 0.0 111.32 178.087 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 74' ' ' LYS . . . . . 0.535 ' O ' ' HG3' ' B' ' 78' ' ' MET . 25.4 mmtp -65.28 -39.6 92.8 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 109.418 -0.586 . . . . 0.0 109.418 -175.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 75' ' ' LYS . . . . . . . . . . . . . 22.6 tptm -62.77 -47.07 85.13 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.251 -0.886 . . . . 0.0 110.239 176.022 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 76' ' ' GLU . . . . . 0.487 ' O ' HG13 ' B' ' 80' ' ' ILE . 9.9 tp10 -65.23 -41.32 94.51 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.163 -178.238 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 77' ' ' ALA . . . . . . . . . . . . . . . -57.08 -41.2 78.41 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.483 -0.326 . . . . 0.0 110.465 178.374 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 78' ' ' MET . . . . . 0.535 ' HG3' ' O ' ' B' ' 74' ' ' LYS . 66.3 mtt -60.84 -43.21 98.6 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.553 178.003 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 79' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -69.92 -39.52 76.09 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.892 -0.595 . . . . 0.0 111.256 -179.525 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 80' ' ' ILE . . . . . 0.487 HG13 ' O ' ' B' ' 76' ' ' GLU . 88.8 mt -65.44 -50.32 73.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.694 178.811 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 81' ' ' ILE . . . . . . . . . . . . . 44.3 mm -61.71 -34.32 61.65 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.609 179.212 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 82' ' ' LYS . . . . . . . . . . . . . 24.0 tptm -60.37 -49.46 77.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.381 177.13 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 83' ' ' LYS . . . . . . . . . . . . . 57.5 mttp -71.76 -28.51 63.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.506 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 84' ' ' PHE . . . . . 0.54 ' O ' ' HG ' ' B' ' 88' ' ' LEU . 2.0 t80 -62.55 -53.9 47.75 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.874 -0.603 . . . . 0.0 109.449 177.444 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 85' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -62.01 -35.09 77.53 Favored 'General case' 0 C--O 1.233 0.19 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.754 178.039 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 86' ' ' LYS . . . . . . . . . . . . . 6.7 tmtm? -62.77 -49.54 74.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.268 -179.5 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 87' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -69.38 -32.54 71.64 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.18 -178.112 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 88' ' ' LEU . . . . . 0.54 ' HG ' ' O ' ' B' ' 84' ' ' PHE . 87.1 mt -62.89 -42.16 99.67 Favored 'General case' 0 N--CA 1.463 0.194 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.631 174.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -60.7 -44.6 96.36 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.412 179.118 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 90' ' ' ALA . . . . . 0.656 ' O ' HG13 ' B' ' 94' ' ' ILE . . . -61.93 -46.13 90.69 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.387 176.623 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 91' ' ' MET . . . . . . . . . . . . . 61.0 tpp -59.88 -40.82 89.99 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.622 -179.767 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 92' ' ' LEU . . . . . . . . . . . . . 58.1 tp -58.71 -43.61 90.14 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.769 -0.651 . . . . 0.0 110.794 177.798 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 93' ' ' ARG . . . . . . . . . . . . . 80.0 mtp180 -65.88 -29.92 70.44 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.007 179.792 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 94' ' ' ILE . . . . . 0.656 HG13 ' O ' ' B' ' 90' ' ' ALA . 12.9 mt -73.63 -34.85 42.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 C-N-CA 120.791 -0.364 . . . . 0.0 110.582 179.056 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 95' ' ' ILE . . . . . 0.466 HD11 ' CD1' ' A' ' 69' ' ' TRP . 20.3 mm -55.86 -49.07 77.16 Favored 'Isoleucine or valine' 0 C--O 1.232 0.171 0 N-CA-C 109.178 -0.675 . . . . 0.0 109.178 173.151 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 96' ' ' ASN . . . . . 0.507 ' OD1' ' HB3' ' A' ' 74' ' ' LYS . 86.8 m-20 -59.47 -45.78 90.66 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.034 175.272 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 97' ' ' ALA . . . . . . . . . . . . . . . -65.69 -6.22 10.83 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.57 -0.741 . . . . 0.0 112.758 -175.321 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 98' ' ' ARG . . . . . 0.461 ' HD2' ' CZ3' ' A' ' 69' ' ' TRP . 5.6 mmp_? . . . . . 0 C--N 1.331 -0.227 0 CA-C-O 121.24 0.543 . . . . 0.0 109.736 172.301 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.445 -0.731 0 N-CA-C 111.607 -0.597 . . . . 0.0 111.607 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.562 ' HD2' ' SD ' ' A' ' 46' ' ' MET . 50.1 Cg_endo -68.58 176.69 5.52 Favored 'Trans proline' 0 N--CA 1.464 -0.215 0 C-N-CA 122.592 2.195 . . . . 0.0 111.746 176.638 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.415 ' HB ' HG22 ' A' ' 72' ' ' VAL . 19.3 pt -47.71 -44.67 10.61 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.528 0 N-CA-C 113.772 1.027 . . . . 0.0 113.772 -171.461 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . 0.46 ' HA ' HD13 ' A' ' 80' ' ' ILE . 99.8 mtt180 -67.23 -41.99 84.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.048 0.452 . . . . 0.0 110.804 -178.722 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . 0.576 ' O ' HG13 ' A' ' 50' ' ' ILE . 56.3 mtt -68.02 -27.33 66.45 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.788 176.59 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.524 HG23 ' O ' ' A' ' 43' ' ' PRO . 90.3 t -59.38 -49.73 82.45 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.177 0 N-CA-C 110.148 -0.316 . . . . 0.0 110.148 175.859 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 11.2 mp -64.04 -32.5 74.07 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.035 177.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -67.79 -48.97 64.82 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.133 176.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.576 HG13 ' O ' ' A' ' 46' ' ' MET . 57.0 mt -65.9 -31.53 54.11 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-O 121.309 0.576 . . . . 0.0 109.83 177.792 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 15.8 tp -59.25 -53.8 54.17 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.474 -0.784 . . . . 0.0 110.255 175.019 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.55 -38.05 80.06 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-O 121.008 0.432 . . . . 0.0 110.577 178.733 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.411 ' HB3' ' O ' ' A' ' 50' ' ' ILE . 87.2 t80 -55.39 -60.7 3.04 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.53 -0.759 . . . . 0.0 109.412 174.58 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.524 HD13 ' H ' ' A' ' 62' ' ' SER . 64.4 mt -72.41 -0.43 12.48 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.777 -178.579 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 20.6 tpt180 -90.33 -35.28 15.33 Favored 'General case' 0 N--CA 1.427 -1.581 0 CA-C-O 121.044 0.45 . . . . 0.0 110.118 177.154 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 57.9 m-85 -110.79 -22.9 11.33 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 112.439 0.533 . . . . 0.0 112.439 -176.572 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . 0.514 ' HA ' ' HG2' ' B' ' 46' ' ' MET . 35.0 p -96.27 -5.88 39.21 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.376 0.608 . . . . 0.0 110.707 -179.817 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -140.97 167.75 21.43 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.514 -0.766 . . . . 0.0 110.442 -174.738 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.453 HD12 ' N ' ' A' ' 59' ' ' ILE . 4.2 mp -90.67 -25.38 5.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-O 121.932 0.873 . . . . 0.0 110.201 -176.48 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -148.26 124.06 5.24 Favored Pre-proline 0 C--N 1.306 -1.317 0 CA-C-N 114.509 -1.223 . . . . 0.0 110.55 -179.719 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . 0.425 ' HB2' HD11 ' A' ' 66' ' ' ILE . 30.2 Cg_exo -62.22 139.66 79.05 Favored 'Trans proline' 0 C--O 1.233 0.249 0 C-N-CA 122.674 2.249 . . . . 0.0 111.921 175.623 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . 0.524 ' H ' HD13 ' A' ' 54' ' ' LEU . 46.7 t -61.79 137.68 58.27 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.966 -179.102 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 95.1 mt -65.62 -20.73 66.42 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.456 -0.793 . . . . 0.0 111.596 -175.51 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -63.09 -45.33 95.7 Favored Glycine 0 N--CA 1.449 -0.462 0 C-N-CA 120.422 -0.894 . . . . 0.0 111.116 174.432 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.537 ' O ' ' HB2' ' A' ' 69' ' ' TRP . 4.0 mm? -70.75 -30.03 66.44 Favored 'General case' 0 C--O 1.22 -0.465 0 N-CA-C 110.129 -0.322 . . . . 0.0 110.129 177.297 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.425 HD11 ' HB2' ' A' ' 61' ' ' PRO . 47.3 mm -70.19 -30.95 45.59 Favored 'Isoleucine or valine' 0 C--O 1.235 0.342 0 CA-C-O 121.249 0.547 . . . . 0.0 110.542 177.561 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 44.5 t30 -70.76 -43.06 69.58 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.4 177.456 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 39.2 ttm180 -86.44 -7.08 58.71 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.697 0.761 . . . . 0.0 109.917 -178.328 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' TRP . . . . . 0.581 ' NE1' HD11 ' B' ' 95' ' ' ILE . 7.2 t90 -59.8 -44.56 93.92 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 114.601 -1.182 . . . . 0.0 110.048 177.279 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -80.7 -10.83 84.69 Favored Glycine 0 N--CA 1.449 -0.492 0 CA-C-N 115.575 -0.738 . . . . 0.0 112.315 178.419 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 47.7 t -69.49 -16.96 63.56 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.101 0.477 . . . . 0.0 109.995 178.928 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.416 ' C ' ' H ' ' A' ' 74' ' ' LYS . 12.1 t -74.54 135.23 27.84 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.538 0 N-CA-C 108.923 -0.769 . . . . 0.0 108.923 174.231 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . 0.581 ' O ' ' HG2' ' A' ' 74' ' ' LYS . . . -72.43 19.27 1.13 Allowed Glycine 0 CA--C 1.524 0.598 0 C-N-CA 121.321 -0.466 . . . . 0.0 114.234 -173.493 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.581 ' HG2' ' O ' ' A' ' 73' ' ' GLY . 9.4 ptpp? 61.29 -44.28 0.13 Allowed 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 125.734 1.614 . . . . 0.0 113.81 178.548 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 21.3 tptm -67.75 -42.89 81.07 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 118.669 0.668 . . . . 0.0 109.483 175.537 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . 0.582 ' O ' HG13 ' A' ' 80' ' ' ILE . 20.5 tp10 -59.1 -40.08 84.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.711 -0.677 . . . . 0.0 109.522 174.234 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.532 ' O ' HG12 ' A' ' 81' ' ' ILE . . . -60.85 -39.98 91.16 Favored 'General case' 0 N--CA 1.454 -0.241 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.636 179.762 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . 0.515 ' HG3' ' O ' ' A' ' 74' ' ' LYS . 90.6 mtp -59.62 -42.24 92.22 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-O 121.023 0.439 . . . . 0.0 110.096 177.932 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 24.7 mt-10 -67.72 -43.15 80.69 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.749 177.843 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.582 HG13 ' O ' ' A' ' 76' ' ' GLU . 78.2 mt -59.42 -46.52 92.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.682 178.257 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.532 HG12 ' O ' ' A' ' 77' ' ' ALA . 41.3 mm -62.29 -40.14 86.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.107 -179.87 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 8.2 ttpm? -64.05 -41.77 97.26 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-O 121.051 0.453 . . . . 0.0 110.102 177.672 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 27.3 mtpp -62.11 -46.8 87.43 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.515 175.25 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . 0.493 ' O ' ' HG ' ' A' ' 88' ' ' LEU . 0.8 OUTLIER -56.55 -51.46 68.49 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.216 -0.902 . . . . 0.0 110.8 -178.611 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -61.59 -36.65 81.3 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.244 -179.109 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . 0.423 ' HB3' ' NZ ' ' A' ' 86' ' ' LYS . 5.1 ttpm? -63.31 -48.38 78.3 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.338 179.025 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -64.26 -37.82 88.84 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.568 -179.805 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.493 ' HG ' ' O ' ' A' ' 84' ' ' PHE . 91.1 mt -60.46 -45.58 93.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.394 176.356 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -62.12 -43.91 97.8 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.864 179.199 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . 0.5 ' O ' HG13 ' A' ' 94' ' ' ILE . . . -63.76 -47.23 81.82 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.176 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 72.7 mtm -66.59 -33.79 76.46 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.011 -178.451 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.464 ' HB2' HG13 ' B' ' 81' ' ' ILE . 55.4 tp -60.73 -45.73 93.14 Favored 'General case' 0 C--O 1.238 0.479 0 CA-C-O 121.505 0.669 . . . . 0.0 110.411 174.882 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 98.2 mtt180 -61.4 -32.22 72.15 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.358 -0.837 . . . . 0.0 110.61 179.101 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . 0.5 HG13 ' O ' ' A' ' 90' ' ' ALA . 64.5 mt -68.73 -36.24 73.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.516 -0.311 . . . . 0.0 110.966 177.463 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.598 HD11 ' NE1' ' B' ' 69' ' ' TRP . 19.1 mm -56.37 -48.54 79.7 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.266 0 CA-C-O 121.62 0.724 . . . . 0.0 109.654 175.617 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 9.8 t30 -76.29 -21.31 56.42 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.307 -0.861 . . . . 0.0 111.132 -178.698 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -70.92 -41.85 70.67 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 120.938 0.399 . . . . 0.0 111.015 179.193 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . 0.408 ' HG2' ' O ' ' A' ' 94' ' ' ILE . 13.6 ptm180 . . . . . 0 C--N 1.325 -0.491 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.575 -173.024 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 42' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.445 -0.763 0 N-CA-C 111.612 -0.595 . . . . 0.0 111.612 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' B' B ' 43' ' ' PRO . . . . . 0.559 ' HD2' ' SD ' ' B' ' 46' ' ' MET . 48.5 Cg_endo -68.12 176.77 5.06 Favored 'Trans proline' 0 CA--C 1.529 0.258 0 C-N-CA 122.584 2.189 . . . . 0.0 111.663 177.131 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 44' ' ' ILE . . . . . 0.42 ' HB ' HG22 ' B' ' 72' ' ' VAL . 19.6 pt -47.68 -44.67 10.48 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.51 0 N-CA-C 113.908 1.077 . . . . 0.0 113.908 -171.559 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 45' ' ' ARG . . . . . 0.46 ' HA ' HD13 ' B' ' 80' ' ' ILE . 99.8 mtt180 -67.21 -42.1 84.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.083 0.468 . . . . 0.0 110.854 -178.825 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 46' ' ' MET . . . . . 0.572 ' O ' HG13 ' B' ' 50' ' ' ILE . 56.6 mtt -67.92 -27.21 66.43 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.847 176.484 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 47' ' ' VAL . . . . . 0.522 HG23 ' O ' ' B' ' 43' ' ' PRO . 89.5 t -59.57 -49.59 83.12 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.191 0 N-CA-C 110.189 -0.3 . . . . 0.0 110.189 175.83 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 11.2 mp -64.16 -32.35 73.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.085 177.908 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -67.87 -49.04 64.32 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.8 0.333 . . . . 0.0 111.124 176.854 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 50' ' ' ILE . . . . . 0.572 HG13 ' O ' ' B' ' 46' ' ' MET . 57.1 mt -65.88 -31.45 53.79 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-O 121.254 0.549 . . . . 0.0 109.815 177.778 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 15.8 tp -59.26 -53.68 55.46 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.481 -0.781 . . . . 0.0 110.286 174.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.69 -38.02 80.4 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-O 121.046 0.451 . . . . 0.0 110.591 178.705 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 53' ' ' PHE . . . . . 0.409 ' HB3' ' O ' ' B' ' 50' ' ' ILE . 86.5 t80 -55.34 -60.85 2.84 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.521 -0.763 . . . . 0.0 109.43 174.514 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 54' ' ' LEU . . . . . 0.519 HD13 ' H ' ' B' ' 62' ' ' SER . 64.5 mt -72.37 -0.33 12.12 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.823 -178.613 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 55' ' ' ARG . . . . . . . . . . . . . 20.7 tpt180 -90.33 -35.55 15.17 Favored 'General case' 0 N--CA 1.426 -1.632 0 CA-C-O 121.121 0.486 . . . . 0.0 110.085 177.013 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 56' ' ' PHE . . . . . . . . . . . . . 57.9 m-85 -110.38 -23.11 11.36 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 112.402 0.519 . . . . 0.0 112.402 -176.554 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 57' ' ' THR . . . . . 0.522 ' HA ' ' HG2' ' A' ' 46' ' ' MET . 34.6 p -96.19 -5.84 39.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.35 0.595 . . . . 0.0 110.679 -179.746 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -141.02 167.35 22.41 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.617 -0.72 . . . . 0.0 110.43 -174.727 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 59' ' ' ILE . . . . . 0.449 ' N ' HD12 ' B' ' 59' ' ' ILE . 4.2 mp -90.39 -25.47 5.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-O 121.781 0.801 . . . . 0.0 110.153 -176.465 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -148.26 124.05 5.23 Favored Pre-proline 0 C--N 1.306 -1.3 0 CA-C-N 114.63 -1.168 . . . . 0.0 110.54 -179.765 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 61' ' ' PRO . . . . . 0.427 ' HB2' HD11 ' B' ' 66' ' ' ILE . 29.7 Cg_exo -62.53 139.38 75.82 Favored 'Trans proline' 0 C--O 1.236 0.395 0 C-N-CA 122.685 2.257 . . . . 0.0 111.799 175.749 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 62' ' ' SER . . . . . 0.519 ' H ' HD13 ' B' ' 54' ' ' LEU . 48.2 t -61.48 138.06 58.26 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.662 -0.699 . . . . 0.0 111.024 -179.024 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 95.7 mt -66.26 -20.13 66.02 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 115.526 -0.761 . . . . 0.0 111.505 -175.232 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -63.6 -45.22 95.14 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.414 -0.898 . . . . 0.0 111.119 174.311 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 65' ' ' LEU . . . . . 0.53 ' O ' ' HB2' ' B' ' 69' ' ' TRP . 4.0 mm? -70.64 -30.15 66.7 Favored 'General case' 0 C--O 1.22 -0.45 0 N-CA-C 110.149 -0.315 . . . . 0.0 110.149 177.166 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 66' ' ' ILE . . . . . 0.427 HD11 ' HB2' ' B' ' 61' ' ' PRO . 47.3 mm -69.82 -31.24 47.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 121.309 0.576 . . . . 0.0 110.57 177.559 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 67' ' ' ASN . . . . . . . . . . . . . 43.4 t30 -70.5 -43.42 69.72 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.281 177.738 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 68' ' ' ARG . . . . . . . . . . . . . 39.3 ttm180 -86.21 -7.1 58.79 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.651 0.739 . . . . 0.0 109.961 -178.233 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 69' ' ' TRP . . . . . 0.598 ' NE1' HD11 ' A' ' 95' ' ' ILE . 7.2 t90 -59.79 -44.62 93.86 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 114.657 -1.156 . . . . 0.0 110.065 177.233 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . -80.62 -10.85 84.72 Favored Glycine 0 N--CA 1.448 -0.501 0 CA-C-N 115.613 -0.721 . . . . 0.0 112.258 178.419 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 71' ' ' SER . . . . . . . . . . . . . 48.0 t -69.53 -17.18 63.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.113 0.482 . . . . 0.0 109.868 179.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 72' ' ' VAL . . . . . 0.42 HG22 ' HB ' ' B' ' 44' ' ' ILE . 12.1 t -74.23 135.62 27.05 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.593 0 N-CA-C 108.926 -0.768 . . . . 0.0 108.926 174.27 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 73' ' ' GLY . . . . . 0.573 ' O ' ' HG2' ' B' ' 74' ' ' LYS . . . -72.86 19.49 1.21 Allowed Glycine 0 CA--C 1.523 0.55 0 CA-C-O 119.643 -0.532 . . . . 0.0 114.135 -173.411 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 74' ' ' LYS . . . . . 0.573 ' HG2' ' O ' ' B' ' 73' ' ' GLY . 9.4 ptpp? 61.24 -44.46 0.13 Allowed 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 125.74 1.616 . . . . 0.0 113.8 178.46 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 75' ' ' LYS . . . . . . . . . . . . . 21.4 tptm -67.7 -42.85 81.38 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 118.612 0.642 . . . . 0.0 109.51 175.56 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 76' ' ' GLU . . . . . 0.566 ' O ' HG13 ' B' ' 80' ' ' ILE . 20.9 tp10 -59.18 -40.06 84.48 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.629 -0.714 . . . . 0.0 109.609 174.211 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 77' ' ' ALA . . . . . 0.533 ' O ' HG12 ' B' ' 81' ' ' ILE . . . -60.76 -40.03 90.99 Favored 'General case' 0 N--CA 1.454 -0.226 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.668 179.693 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 78' ' ' MET . . . . . 0.519 ' HG3' ' O ' ' B' ' 74' ' ' LYS . 90.4 mtp -59.57 -42.18 91.87 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-O 121.102 0.477 . . . . 0.0 110.08 178.065 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 79' ' ' GLU . . . . . . . . . . . . . 23.9 mt-10 -67.55 -43.76 79.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.639 -0.71 . . . . 0.0 110.744 177.839 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 80' ' ' ILE . . . . . 0.566 HG13 ' O ' ' B' ' 76' ' ' GLU . 78.6 mt -59.08 -46.55 91.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.679 178.286 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 81' ' ' ILE . . . . . 0.533 HG12 ' O ' ' B' ' 77' ' ' ALA . 41.6 mm -62.19 -40.09 86.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.113 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 82' ' ' LYS . . . . . . . . . . . . . 8.2 ttpm? -64.13 -41.87 97.04 Favored 'General case' 0 C--O 1.235 0.333 0 CA-C-O 120.981 0.42 . . . . 0.0 110.021 177.918 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 83' ' ' LYS . . . . . . . . . . . . . 27.3 mtpp -61.98 -46.93 87.09 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.556 175.187 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 84' ' ' PHE . . . . . 0.498 ' O ' ' HG ' ' B' ' 88' ' ' LEU . 0.8 OUTLIER -56.5 -51.41 68.62 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.252 -0.886 . . . . 0.0 110.807 -178.663 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 85' ' ' LYS . . . . . 0.406 ' HE3' ' CG2' ' B' ' 81' ' ' ILE . 98.9 mttt -61.61 -36.72 81.54 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.223 -179.117 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 86' ' ' LYS . . . . . 0.43 ' NZ ' ' HB3' ' B' ' 86' ' ' LYS . 5.1 ttpm? -63.2 -48.63 77.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.051 0.453 . . . . 0.0 110.385 178.872 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 87' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -63.99 -38.0 89.46 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.705 -0.68 . . . . 0.0 110.577 -179.871 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 88' ' ' LEU . . . . . 0.498 ' HG ' ' O ' ' B' ' 84' ' ' PHE . 91.2 mt -60.47 -45.35 94.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.487 176.389 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 89' ' ' ALA . . . . . 0.4 ' O ' ' HG3' ' B' ' 93' ' ' ARG . . . -62.13 -44.09 97.39 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.868 179.212 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 90' ' ' ALA . . . . . 0.497 ' O ' HG13 ' B' ' 94' ' ' ILE . . . -63.87 -47.17 81.72 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.15 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 91' ' ' MET . . . . . . . . . . . . . 72.8 mtm -66.41 -33.88 76.7 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.12 -178.627 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 92' ' ' LEU . . . . . 0.469 ' HB2' HG13 ' A' ' 81' ' ' ILE . 55.6 tp -60.67 -45.76 92.92 Favored 'General case' 0 C--O 1.238 0.474 0 CA-C-O 121.464 0.65 . . . . 0.0 110.444 174.807 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 93' ' ' ARG . . . . . 0.4 ' HG3' ' O ' ' B' ' 89' ' ' ALA . 98.1 mtt180 -61.34 -32.28 72.17 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.398 -0.819 . . . . 0.0 110.503 179.147 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 94' ' ' ILE . . . . . 0.497 HG13 ' O ' ' B' ' 90' ' ' ALA . 64.2 mt -68.71 -36.33 73.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.595 -0.275 . . . . 0.0 110.921 177.515 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 95' ' ' ILE . . . . . 0.581 HD11 ' NE1' ' A' ' 69' ' ' TRP . 19.0 mm -56.43 -48.55 79.84 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.268 0 CA-C-O 121.549 0.69 . . . . 0.0 109.588 175.648 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 96' ' ' ASN . . . . . . . . . . . . . 9.9 t30 -76.36 -21.18 56.42 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.41 -0.814 . . . . 0.0 111.129 -178.673 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 97' ' ' ALA . . . . . . . . . . . . . . . -70.9 -41.84 70.73 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.098 0.475 . . . . 0.0 111.109 179.063 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 98' ' ' ARG . . . . . 0.4 ' HG2' ' O ' ' B' ' 94' ' ' ILE . 13.6 ptm180 . . . . . 0 C--N 1.325 -0.471 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.604 -173.021 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.592 0 CA-C-O 119.103 -0.832 . . . . 0.0 113.692 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 95.2 Cg_exo -47.79 157.18 1.06 Allowed 'Trans proline' 0 C--N 1.356 0.948 0 C-N-CA 122.709 2.273 . . . . 0.0 113.014 174.056 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.436 HD11 ' OE1' ' A' ' 76' ' ' GLU . 44.5 pt -54.53 -29.43 20.38 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.441 0 CA-C-N 115.184 -0.917 . . . . 0.0 113.075 -168.037 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 59.8 mtp180 -59.44 -48.56 81.17 Favored 'General case' 0 C--O 1.236 0.367 0 CA-C-O 121.436 0.636 . . . . 0.0 110.116 176.285 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . 0.61 ' O ' HG13 ' A' ' 50' ' ' ILE . 2.1 mpt? -69.83 -31.15 68.87 Favored 'General case' 0 C--O 1.217 -0.607 0 CA-C-N 115.374 -0.83 . . . . 0.0 110.414 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 62.6 t -59.42 -46.03 93.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-O 120.691 0.282 . . . . 0.0 110.74 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 11.1 mp -68.05 -36.28 79.62 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.769 178.253 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -65.97 -47.36 74.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.181 177.482 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.61 HG13 ' O ' ' A' ' 46' ' ' MET . 61.8 mt -66.34 -33.19 61.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 109.913 178.854 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.642 ' O ' ' HG2' ' A' ' 55' ' ' ARG . 10.3 tp -57.6 -55.98 27.79 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.906 -0.588 . . . . 0.0 109.79 174.852 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -55.74 -42.49 75.46 Favored 'General case' 0 C--O 1.232 0.178 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.468 178.865 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 73.0 t80 -53.2 -56.29 17.57 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.128 174.074 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 95.6 mt -73.14 -3.12 24.52 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 112.443 0.534 . . . . 0.0 112.443 -176.768 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.642 ' HG2' ' O ' ' A' ' 51' ' ' LEU . 37.2 mmt180 -96.02 -35.99 11.19 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.697 0.284 . . . . 0.0 110.991 175.387 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . 0.407 ' CZ ' ' HA ' ' B' ' 84' ' ' PHE . 86.4 m-85 -104.36 -13.73 16.01 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 111.968 0.359 . . . . 0.0 111.968 -175.799 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 16.7 p -109.61 -6.02 15.49 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.163 0.506 . . . . 0.0 109.997 175.773 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -147.55 -176.88 5.42 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.559 -0.746 . . . . 0.0 109.471 -178.153 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 46.9 mm -118.86 -21.62 4.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-O 121.762 0.791 . . . . 0.0 110.756 179.475 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 54.0 tptt -136.81 108.7 9.15 Favored Pre-proline 0 C--N 1.305 -1.33 0 CA-C-N 115.265 -0.879 . . . . 0.0 110.803 -178.443 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 16.8 Cg_exo -68.39 148.48 73.67 Favored 'Trans proline' 0 N--CA 1.462 -0.33 0 C-N-CA 122.67 2.247 . . . . 0.0 111.687 176.054 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 5.7 m -66.56 141.38 57.87 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.546 179.444 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 95.3 mt -62.8 -18.98 63.59 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.538 -0.756 . . . . 0.0 112.341 -173.573 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -63.48 -48.35 79.02 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.559 -0.829 . . . . 0.0 111.477 174.457 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -65.47 -40.41 93.13 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 109.811 -0.44 . . . . 0.0 109.811 177.93 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 49.5 mm -64.08 -37.75 80.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.852 179.434 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 3.1 t-20 -61.42 -43.05 99.55 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.688 178.671 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 34.2 ttm180 -83.42 -22.43 32.69 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.993 0.425 . . . . 0.0 110.451 -178.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' TRP . . . . . 0.726 ' NE1' HD11 ' B' ' 95' ' ' ILE . 17.6 t90 -56.08 -51.92 66.16 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.487 -0.778 . . . . 0.0 110.658 178.221 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -75.13 -0.54 61.27 Favored Glycine 0 CA--C 1.52 0.364 0 C-N-CA 120.813 -0.708 . . . . 0.0 112.489 179.325 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 30.5 t -99.98 -16.49 17.93 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.686 0.279 . . . . 0.0 110.249 179.329 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 60.7 t -60.78 133.35 26.46 Favored 'Isoleucine or valine' 0 C--O 1.235 0.33 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.567 178.087 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -62.36 119.91 19.69 Favored Glycine 0 N--CA 1.443 -0.879 0 N-CA-C 111.336 -0.705 . . . . 0.0 111.336 177.188 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.543 ' HE2' ' HA ' ' B' ' 96' ' ' ASN . 10.9 ptmm? -58.74 -24.75 62.11 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 112.109 0.411 . . . . 0.0 112.109 -175.506 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 50.6 tptt -70.23 -57.4 4.94 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.19 0.519 . . . . 0.0 110.251 175.248 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . 0.475 ' O ' HG13 ' A' ' 80' ' ' ILE . 12.6 tt0 -67.48 -30.89 70.7 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.75 -177.429 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.535 ' O ' HG12 ' A' ' 81' ' ' ILE . . . -54.92 -44.46 74.24 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 109.994 -0.372 . . . . 0.0 109.994 174.945 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . 0.683 ' O ' ' HG2' ' A' ' 82' ' ' LYS . 62.1 mtt -64.38 -40.61 96.16 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.36 178.654 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -63.73 -42.06 97.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.905 178.721 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.475 HG13 ' O ' ' A' ' 76' ' ' GLU . 89.6 mt -62.44 -46.27 96.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.197 177.221 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.535 HG12 ' O ' ' A' ' 77' ' ' ALA . 42.7 mm -61.16 -36.33 71.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.224 179.843 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . 0.683 ' HG2' ' O ' ' A' ' 78' ' ' MET . 46.8 mmtm -58.02 -49.87 75.37 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-O 121.113 0.482 . . . . 0.0 110.067 175.642 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 59.4 mttp -66.01 -41.66 90.72 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.505 -179.527 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . 0.474 ' O ' ' HG ' ' A' ' 88' ' ' LEU . 1.3 t80 -56.73 -51.46 68.76 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.569 -178.484 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -63.63 -34.31 77.54 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.376 -179.773 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . 0.403 ' HG3' ' O ' ' A' ' 82' ' ' LYS . 62.6 mttp -68.83 -42.91 76.53 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.656 -0.247 . . . . 0.0 111.269 178.76 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . 0.593 ' O ' ' HG2' ' A' ' 91' ' ' MET . 1.3 m-20 -64.44 -40.77 96.36 Favored 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 110.253 -0.277 . . . . 0.0 110.253 177.594 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.474 ' HG ' ' O ' ' A' ' 84' ' ' PHE . 93.1 mt -58.45 -43.82 88.96 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.973 0.416 . . . . 0.0 110.327 176.631 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . 0.49 ' O ' ' HG3' ' A' ' 93' ' ' ARG . . . -61.12 -44.54 97.18 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.661 -0.7 . . . . 0.0 110.881 179.552 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . 0.434 ' O ' HG13 ' A' ' 94' ' ' ILE . . . -62.37 -46.42 88.71 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.838 179.7 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' MET . . . . . 0.593 ' HG2' ' O ' ' A' ' 87' ' ' ASP . 23.6 mmt -62.81 -40.43 97.33 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.479 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 51.7 tp -59.82 -43.81 94.34 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.768 178.606 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . 0.49 ' HG3' ' O ' ' A' ' 89' ' ' ALA . 73.2 mtt180 -61.93 -34.38 75.99 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.987 -0.552 . . . . 0.0 110.43 178.37 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . 0.567 ' O ' ' HG2' ' A' ' 98' ' ' ARG . 79.9 mt -69.61 -43.94 79.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.855 177.913 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.724 HD11 ' NE1' ' B' ' 69' ' ' TRP . 30.4 mm -56.84 -41.76 76.6 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.437 0 CA-C-O 121.504 0.669 . . . . 0.0 109.914 176.507 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' ASN . . . . . 0.533 ' HA ' ' HE2' ' B' ' 74' ' ' LYS . 7.2 t30 -65.29 -36.75 85.04 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 114.946 -1.024 . . . . 0.0 110.628 178.719 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -75.24 -24.64 57.69 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.775 -0.648 . . . . 0.0 111.293 -179.262 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . 0.584 ' NE ' ' HA ' ' A' ' 98' ' ' ARG . 2.8 mmp_? . . . . . 0 C--N 1.328 -0.336 0 N-CA-C 112.077 0.399 . . . . 0.0 112.077 -174.923 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 42' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.61 0 CA-C-O 119.06 -0.855 . . . . 0.0 113.651 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' B' B ' 43' ' ' PRO . . . . . . . . . . . . . 92.7 Cg_exo -47.74 157.43 0.97 Allowed 'Trans proline' 0 C--N 1.356 0.925 0 C-N-CA 122.816 2.344 . . . . 0.0 112.894 174.275 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 44' ' ' ILE . . . . . 0.466 HD11 ' OE1' ' B' ' 76' ' ' GLU . 44.3 pt -54.72 -29.24 20.78 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.451 0 CA-C-N 115.159 -0.928 . . . . 0.0 113.139 -167.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 59.8 mtp180 -59.59 -48.67 80.74 Favored 'General case' 0 C--O 1.236 0.37 0 CA-C-O 121.406 0.622 . . . . 0.0 110.151 176.324 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 46' ' ' MET . . . . . 0.611 ' O ' HG13 ' B' ' 50' ' ' ILE . 2.0 mpt? -69.58 -31.38 69.5 Favored 'General case' 0 C--O 1.218 -0.586 0 CA-C-N 115.35 -0.841 . . . . 0.0 110.435 179.859 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 47' ' ' VAL . . . . . . . . . . . . . 59.8 t -59.19 -46.18 92.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-O 120.712 0.291 . . . . 0.0 110.875 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 11.1 mp -67.96 -36.29 79.82 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.804 178.266 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -65.88 -47.35 75.13 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.221 177.398 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 50' ' ' ILE . . . . . 0.611 HG13 ' O ' ' B' ' 46' ' ' MET . 61.9 mt -66.5 -33.05 60.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.126 -0.488 . . . . 0.0 109.988 178.761 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 51' ' ' LEU . . . . . 0.657 ' O ' ' HG2' ' B' ' 55' ' ' ARG . 10.3 tp -57.68 -55.83 29.82 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.041 -0.527 . . . . 0.0 109.845 174.761 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -55.76 -42.59 75.7 Favored 'General case' 0 C--O 1.232 0.182 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.485 178.833 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 53' ' ' PHE . . . . . . . . . . . . . 72.2 t80 -53.25 -56.24 18.12 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.564 -0.744 . . . . 0.0 110.056 174.148 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 54' ' ' LEU . . . . . . . . . . . . . 95.6 mt -73.11 -3.27 25.35 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 112.451 0.537 . . . . 0.0 112.451 -176.855 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 55' ' ' ARG . . . . . 0.657 ' HG2' ' O ' ' B' ' 51' ' ' LEU . 37.0 mmt180 -95.93 -36.12 11.2 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.802 0.334 . . . . 0.0 110.957 175.363 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 56' ' ' PHE . . . . . 0.4 ' CZ ' ' HA ' ' A' ' 84' ' ' PHE . 86.1 m-85 -104.06 -13.84 16.13 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 111.943 0.349 . . . . 0.0 111.943 -175.709 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 57' ' ' THR . . . . . . . . . . . . . 16.9 p -109.58 -6.05 15.5 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.094 0.473 . . . . 0.0 110.074 175.845 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -147.56 -176.69 5.35 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.539 -0.755 . . . . 0.0 109.422 -178.131 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 59' ' ' ILE . . . . . . . . . . . . . 46.8 mm -119.06 -21.58 4.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-O 121.862 0.839 . . . . 0.0 110.885 179.661 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 53.9 tptt -137.05 108.68 8.96 Favored Pre-proline 0 C--N 1.306 -1.303 0 CA-C-N 115.056 -0.974 . . . . 0.0 110.797 -178.515 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 61' ' ' PRO . . . . . . . . . . . . . 16.6 Cg_exo -68.58 147.74 70.98 Favored 'Trans proline' 0 N--CA 1.463 -0.297 0 C-N-CA 122.85 2.366 . . . . 0.0 111.803 175.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 6.6 m -65.9 141.79 58.12 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.465 179.725 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 95.7 mt -63.34 -18.91 64.15 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.519 -0.764 . . . . 0.0 112.236 -173.548 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -63.31 -48.48 78.63 Favored Glycine 0 C--O 1.237 0.326 0 C-N-CA 120.537 -0.839 . . . . 0.0 111.442 174.281 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -65.37 -40.42 93.51 Favored 'General case' 0 C--O 1.222 -0.347 0 N-CA-C 109.928 -0.397 . . . . 0.0 109.928 177.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 66' ' ' ILE . . . . . . . . . . . . . 49.5 mm -64.11 -37.47 79.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.9 179.391 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 67' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 -61.57 -42.97 99.62 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.71 178.748 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 68' ' ' ARG . . . . . . . . . . . . . 34.2 ttm180 -83.58 -22.42 32.33 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.453 -178.836 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 69' ' ' TRP . . . . . 0.724 ' NE1' HD11 ' A' ' 95' ' ' ILE . 17.8 t90 -56.17 -51.78 66.74 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.488 -0.778 . . . . 0.0 110.631 178.19 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . -75.53 0.07 61.55 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.897 -0.668 . . . . 0.0 112.436 179.263 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 71' ' ' SER . . . . . . . . . . . . . 28.0 t -100.7 -16.09 17.49 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 110.247 -0.279 . . . . 0.0 110.247 179.132 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 72' ' ' VAL . . . . . . . . . . . . . 61.5 t -61.15 133.33 26.9 Favored 'Isoleucine or valine' 0 C--O 1.235 0.297 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.586 177.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 73' ' ' GLY . . . . . . . . . . . . . . . -62.21 119.55 18.34 Favored Glycine 0 N--CA 1.444 -0.824 0 N-CA-C 111.404 -0.678 . . . . 0.0 111.404 177.112 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 74' ' ' LYS . . . . . 0.533 ' HE2' ' HA ' ' A' ' 96' ' ' ASN . 10.9 ptmm? -58.28 -25.14 61.45 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 112.216 0.45 . . . . 0.0 112.216 -175.531 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 75' ' ' LYS . . . . . . . . . . . . . 50.9 tptt -69.7 -57.6 4.94 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.187 0.517 . . . . 0.0 110.314 175.181 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 76' ' ' GLU . . . . . 0.482 ' O ' HG13 ' B' ' 80' ' ' ILE . 13.3 tt0 -67.69 -30.53 70.07 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.723 -0.671 . . . . 0.0 110.754 -177.202 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 77' ' ' ALA . . . . . 0.526 ' O ' HG12 ' B' ' 81' ' ' ILE . . . -54.98 -44.78 74.74 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.88 0.372 . . . . 0.0 110.0 174.687 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 78' ' ' MET . . . . . 0.667 ' O ' ' HG2' ' B' ' 82' ' ' LYS . 62.5 mtt -64.05 -40.77 97.02 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.33 178.583 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 79' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -63.79 -41.79 97.87 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.953 178.93 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 80' ' ' ILE . . . . . 0.482 HG13 ' O ' ' B' ' 76' ' ' GLU . 89.9 mt -62.64 -45.97 97.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.22 177.259 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 81' ' ' ILE . . . . . 0.526 HG12 ' O ' ' B' ' 77' ' ' ALA . 42.3 mm -61.44 -36.36 72.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 115.907 -0.588 . . . . 0.0 111.145 179.894 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 82' ' ' LYS . . . . . 0.667 ' HG2' ' O ' ' B' ' 78' ' ' MET . 46.7 mmtm -57.92 -49.91 75.15 Favored 'General case' 0 C--O 1.232 0.152 0 CA-C-O 121.095 0.474 . . . . 0.0 110.101 175.567 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 83' ' ' LYS . . . . . . . . . . . . . 59.4 mttp -66.12 -41.44 90.51 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.551 -0.75 . . . . 0.0 110.628 -179.516 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 84' ' ' PHE . . . . . 0.479 ' O ' ' HG ' ' B' ' 88' ' ' LEU . 1.3 t80 -56.93 -51.37 69.42 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.582 -178.656 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 85' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -63.66 -34.45 77.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.291 -179.748 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 86' ' ' LYS . . . . . . . . . . . . . 62.5 mttp -68.78 -43.0 76.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.565 -0.289 . . . . 0.0 111.303 178.902 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 87' ' ' ASP . . . . . 0.592 ' O ' ' HG2' ' B' ' 91' ' ' MET . 1.2 m-20 -64.26 -40.76 96.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.597 0.237 . . . . 0.0 110.452 177.436 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 88' ' ' LEU . . . . . 0.479 ' HG ' ' O ' ' B' ' 84' ' ' PHE . 92.9 mt -58.36 -43.81 88.54 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 121.004 0.43 . . . . 0.0 110.302 176.557 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 89' ' ' ALA . . . . . 0.485 ' O ' ' HG3' ' B' ' 93' ' ' ARG . . . -61.13 -44.84 96.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.907 179.58 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 90' ' ' ALA . . . . . 0.444 ' O ' HG13 ' B' ' 94' ' ' ILE . . . -62.11 -46.32 89.59 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.912 179.611 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 91' ' ' MET . . . . . 0.592 ' HG2' ' O ' ' B' ' 87' ' ' ASP . 23.6 mmt -62.83 -40.43 97.41 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.496 179.894 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 92' ' ' LEU . . . . . . . . . . . . . 51.7 tp -59.83 -43.72 94.44 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.803 178.496 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 93' ' ' ARG . . . . . 0.485 ' HG3' ' O ' ' B' ' 89' ' ' ALA . 73.3 mtt180 -62.1 -34.08 75.65 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.481 178.436 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 94' ' ' ILE . . . . . 0.563 ' O ' ' HG2' ' B' ' 98' ' ' ARG . 80.2 mt -69.96 -43.76 79.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.863 177.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 95' ' ' ILE . . . . . 0.726 HD11 ' NE1' ' A' ' 69' ' ' TRP . 30.4 mm -57.01 -41.64 77.76 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.412 0 CA-C-O 121.443 0.639 . . . . 0.0 109.875 176.478 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 96' ' ' ASN . . . . . 0.543 ' HA ' ' HE2' ' A' ' 74' ' ' LYS . 7.6 t30 -65.27 -36.95 85.7 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 114.967 -1.015 . . . . 0.0 110.529 178.736 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 97' ' ' ALA . . . . . . . . . . . . . . . -75.21 -24.46 57.76 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.815 -0.629 . . . . 0.0 111.418 -179.177 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 98' ' ' ARG . . . . . 0.583 ' HA ' ' NE ' ' B' ' 98' ' ' ARG . 2.8 mmp_? . . . . . 0 C--N 1.331 -0.235 0 N-CA-C 112.168 0.433 . . . . 0.0 112.168 -175.014 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.444 -0.769 0 CA-C-O 119.919 -0.379 . . . . 0.0 112.23 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.472 ' HD2' ' SD ' ' A' ' 46' ' ' MET . 32.5 Cg_exo -59.91 170.36 3.78 Favored 'Trans proline' 0 C--N 1.344 0.341 0 C-N-CA 122.925 2.417 . . . . 0.0 111.467 173.75 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 20.7 pt -49.49 -41.44 15.69 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.511 0 N-CA-C 113.075 0.768 . . . . 0.0 113.075 -172.069 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . 0.539 ' HA ' HD13 ' A' ' 80' ' ' ILE . 97.9 mtt180 -62.26 -42.77 99.63 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 121.193 0.521 . . . . 0.0 110.765 178.375 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . 0.565 ' O ' HG13 ' A' ' 50' ' ' ILE . 61.6 mtt -76.88 -20.85 55.78 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.012 179.375 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.448 HG23 ' O ' ' A' ' 43' ' ' PRO . 80.0 t -60.01 -48.76 86.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 N-CA-C 109.644 -0.502 . . . . 0.0 109.644 173.531 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 11.0 mp -65.59 -35.81 81.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.632 176.345 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -62.27 -50.77 70.37 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.86 0.362 . . . . 0.0 111.17 177.149 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.565 HG13 ' O ' ' A' ' 46' ' ' MET . 61.5 mt -66.51 -33.16 61.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-O 121.181 0.515 . . . . 0.0 110.151 178.388 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.547 ' O ' ' HG2' ' A' ' 55' ' ' ARG . 10.3 tp -61.9 -52.99 61.84 Favored 'General case' 0 N--CA 1.45 -0.427 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.188 178.678 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -56.41 -40.37 74.59 Favored 'General case' 0 CA--C 1.517 -0.318 0 O-C-N 123.298 0.374 . . . . 0.0 110.761 179.086 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.495 ' HB3' ' O ' ' A' ' 50' ' ' ILE . 55.2 t80 -50.69 -59.57 3.94 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.522 -0.763 . . . . 0.0 109.447 173.359 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.534 HD13 ' H ' ' A' ' 62' ' ' SER . 85.1 mt -65.86 -23.87 66.75 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.002 -0.545 . . . . 0.0 112.03 -178.04 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.547 ' HG2' ' O ' ' A' ' 51' ' ' LEU . 27.3 mmm180 -70.07 -38.39 75.73 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.971 0.415 . . . . 0.0 111.423 179.265 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . 0.461 ' CZ ' ' HA ' ' B' ' 84' ' ' PHE . 65.7 m-85 -107.26 -7.66 16.67 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.171 -0.468 . . . . 0.0 112.125 -175.251 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 74.2 p -102.49 -21.06 14.28 Favored 'General case' 0 C--N 1.326 -0.43 0 C-N-CA 120.335 -0.546 . . . . 0.0 110.972 173.888 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -138.3 174.9 10.07 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 116.26 -0.427 . . . . 0.0 109.894 -178.508 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 11.0 tp -106.04 6.76 10.01 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-O 121.779 0.8 . . . . 0.0 110.219 179.326 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 85.4 tttt -155.58 116.2 2.29 Favored Pre-proline 0 C--N 1.323 -0.586 0 CA-C-N 115.163 -0.926 . . . . 0.0 110.905 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 8.0 Cg_exo -72.69 143.31 37.41 Favored 'Trans proline' 0 N--CA 1.46 -0.471 0 C-N-CA 122.682 2.255 . . . . 0.0 111.014 171.87 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . 0.534 ' H ' HD13 ' A' ' 54' ' ' LEU . 4.7 m -64.45 141.31 58.82 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.125 0.488 . . . . 0.0 110.873 -178.05 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 88.2 mt -60.52 -26.67 67.04 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.142 -0.936 . . . . 0.0 112.227 -172.401 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -62.75 -47.89 85.5 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.831 -0.7 . . . . 0.0 111.627 176.531 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -63.13 -42.79 99.57 Favored 'General case' 0 C--O 1.221 -0.423 0 N-CA-C 110.013 -0.366 . . . . 0.0 110.013 177.333 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 37.3 mm -58.41 -41.88 82.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 121.144 0.497 . . . . 0.0 111.132 178.904 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 28.1 t-20 -63.9 -40.27 96.12 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.09 -179.043 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 64.6 ttt180 -83.08 -23.14 33.24 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.237 0.541 . . . . 0.0 110.296 -178.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' TRP . . . . . 0.63 ' NE1' HD11 ' B' ' 95' ' ' ILE . 25.1 t90 -60.83 -47.07 88.02 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.26 -0.882 . . . . 0.0 110.522 178.121 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -72.12 -6.17 63.95 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.879 -0.677 . . . . 0.0 112.344 176.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 40.1 t -95.09 -10.66 30.06 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.794 0.33 . . . . 0.0 110.121 178.707 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 77.0 t -69.84 130.71 34.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.432 179.062 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -64.72 127.79 34.23 Favored Glycine 0 N--CA 1.448 -0.527 0 N-CA-C 110.551 -1.019 . . . . 0.0 110.551 174.136 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.449 ' O ' ' HG3' ' A' ' 78' ' ' MET . 6.9 ptpp? -68.4 -20.85 64.7 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 117.062 0.431 . . . . 0.0 111.154 -172.189 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 56.8 tptt -64.09 -49.99 70.07 Favored 'General case' 0 C--O 1.236 0.373 0 N-CA-C 109.471 -0.566 . . . . 0.0 109.471 173.421 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . 0.491 ' O ' HG13 ' A' ' 80' ' ' ILE . 22.5 tp10 -62.91 -44.08 97.05 Favored 'General case' 0 N--CA 1.453 -0.324 0 CA-C-N 115.55 -0.75 . . . . 0.0 109.537 176.852 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.523 ' O ' HG12 ' A' ' 81' ' ' ILE . . . -53.9 -46.04 71.28 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.793 -0.639 . . . . 0.0 111.096 178.708 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . 0.449 ' HG3' ' O ' ' A' ' 74' ' ' LYS . 66.5 mtt -59.34 -41.88 90.21 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.799 178.367 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -68.77 -37.05 79.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.753 179.566 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.539 HD13 ' HA ' ' A' ' 45' ' ' ARG . 86.6 mt -64.34 -51.43 68.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.516 177.189 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.523 HG12 ' O ' ' A' ' 77' ' ' ALA . 49.2 mm -59.42 -38.08 73.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.661 -179.76 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 62.5 tttp -59.58 -49.33 78.2 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.379 177.167 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 62.2 mttp -68.49 -36.3 78.73 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.934 179.493 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . 0.526 ' O ' ' HG ' ' A' ' 88' ' ' LEU . 0.3 OUTLIER -61.26 -53.66 54.03 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.394 -179.469 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 96.7 mttt -62.84 -33.78 75.97 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.977 -179.913 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 56.2 tttp -66.0 -45.27 82.18 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.483 178.144 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -66.49 -37.38 84.96 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.121 -178.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.526 ' HG ' ' O ' ' A' ' 84' ' ' PHE . 96.7 mt -64.63 -37.33 87.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.945 178.094 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -63.43 -44.31 94.94 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.952 0.406 . . . . 0.0 110.457 178.034 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . 0.505 ' O ' HG13 ' A' ' 94' ' ' ILE . . . -64.94 -43.23 93.4 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.135 176.505 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' MET . . . . . 0.499 ' O ' HG12 ' A' ' 95' ' ' ILE . 41.7 ttm -54.04 -48.44 70.54 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.257 -0.883 . . . . 0.0 110.53 178.163 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.427 ' HB2' HG13 ' B' ' 81' ' ' ILE . 50.1 tp -59.67 -44.1 93.72 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.38 -0.827 . . . . 0.0 111.281 179.694 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 83.9 mtp180 -61.5 -35.18 76.97 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.147 -179.048 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . 0.575 ' O ' ' HG2' ' A' ' 98' ' ' ARG . 48.2 mt -75.9 -33.09 24.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 116.471 -0.331 . . . . 0.0 111.043 -179.308 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.623 HD11 ' NE1' ' B' ' 69' ' ' TRP . 13.6 mm -56.14 -44.4 78.83 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.317 0 CA-C-O 121.482 0.658 . . . . 0.0 109.295 173.788 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 28.3 t30 -63.18 -44.32 95.74 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 114.94 -1.027 . . . . 0.0 110.414 175.853 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -62.76 -24.78 67.88 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.969 -176.888 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . 0.575 ' HG2' ' O ' ' A' ' 94' ' ' ILE . 17.1 mmt180 . . . . . 0 C--N 1.33 -0.262 0 CA-C-N 116.495 -0.321 . . . . 0.0 111.143 -179.262 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 42' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.443 -0.847 0 N-CA-C 112.144 -0.383 . . . . 0.0 112.144 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' B' B ' 43' ' ' PRO . . . . . 0.47 ' HD2' ' SD ' ' B' ' 46' ' ' MET . 32.6 Cg_exo -59.88 170.42 3.69 Favored 'Trans proline' 0 C--N 1.344 0.329 0 C-N-CA 122.803 2.335 . . . . 0.0 111.517 173.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 20.7 pt -49.29 -41.44 14.81 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.575 0 N-CA-C 113.181 0.808 . . . . 0.0 113.181 -172.112 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 45' ' ' ARG . . . . . 0.531 ' HA ' HD13 ' B' ' 80' ' ' ILE . 98.1 mtt180 -62.48 -42.65 99.64 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 121.218 0.532 . . . . 0.0 110.684 178.524 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 46' ' ' MET . . . . . 0.567 ' O ' HG13 ' B' ' 50' ' ' ILE . 62.1 mtt -76.97 -20.94 55.49 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.907 -0.588 . . . . 0.0 111.011 179.396 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 47' ' ' VAL . . . . . 0.45 HG23 ' O ' ' B' ' 43' ' ' PRO . 77.8 t -59.9 -48.68 86.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 N-CA-C 109.685 -0.487 . . . . 0.0 109.685 173.527 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 11.0 mp -65.64 -35.81 81.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.676 176.225 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -62.26 -50.74 70.52 Favored 'General case' 0 CA--C 1.532 0.252 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.247 177.043 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 50' ' ' ILE . . . . . 0.567 HG13 ' O ' ' B' ' 46' ' ' MET . 61.5 mt -66.6 -33.26 62.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 121.123 0.487 . . . . 0.0 110.13 178.362 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 51' ' ' LEU . . . . . 0.557 ' O ' ' HG2' ' B' ' 55' ' ' ARG . 10.4 tp -61.68 -53.15 60.04 Favored 'General case' 0 N--CA 1.451 -0.412 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.186 178.53 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -56.46 -40.22 74.47 Favored 'General case' 0 N--CA 1.465 0.316 0 O-C-N 123.318 0.386 . . . . 0.0 110.753 179.151 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 53' ' ' PHE . . . . . 0.491 ' HB3' ' O ' ' B' ' 50' ' ' ILE . 55.7 t80 -50.85 -59.57 3.98 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.562 -0.744 . . . . 0.0 109.476 173.349 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 54' ' ' LEU . . . . . 0.529 HD13 ' H ' ' B' ' 62' ' ' SER . 84.9 mt -65.8 -23.87 66.8 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.029 -0.532 . . . . 0.0 112.059 -178.179 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 55' ' ' ARG . . . . . 0.557 ' HG2' ' O ' ' B' ' 51' ' ' LEU . 27.3 mmm180 -69.86 -38.76 76.55 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.886 0.374 . . . . 0.0 111.31 179.276 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 56' ' ' PHE . . . . . 0.453 ' CZ ' ' HA ' ' A' ' 84' ' ' PHE . 65.2 m-85 -107.05 -7.95 16.72 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 116.278 -0.419 . . . . 0.0 112.093 -175.088 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 57' ' ' THR . . . . . . . . . . . . . 74.1 p -102.21 -20.64 14.6 Favored 'General case' 0 C--N 1.327 -0.378 0 C-N-CA 120.285 -0.566 . . . . 0.0 111.037 173.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -138.75 174.82 10.12 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.052 -178.655 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 59' ' ' ILE . . . . . . . . . . . . . 10.9 tp -106.09 7.2 9.93 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-O 121.941 0.877 . . . . 0.0 110.328 179.332 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 85.6 tttt -155.92 116.43 2.23 Favored Pre-proline 0 C--N 1.321 -0.659 0 CA-C-N 115.024 -0.989 . . . . 0.0 110.939 179.667 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 61' ' ' PRO . . . . . . . . . . . . . 7.9 Cg_exo -72.97 143.2 36.05 Favored 'Trans proline' 0 N--CA 1.458 -0.563 0 C-N-CA 122.647 2.232 . . . . 0.0 110.977 171.73 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 62' ' ' SER . . . . . 0.529 ' H ' HD13 ' B' ' 54' ' ' LEU . 4.9 m -64.45 141.49 58.75 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.165 0.507 . . . . 0.0 110.881 -177.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 88.3 mt -60.53 -26.94 67.26 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.158 -0.928 . . . . 0.0 112.246 -172.458 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -62.39 -48.1 84.72 Favored Glycine 0 C--O 1.237 0.318 0 C-N-CA 120.644 -0.788 . . . . 0.0 111.696 176.451 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -62.89 -43.11 99.69 Favored 'General case' 0 C--O 1.22 -0.486 0 N-CA-C 109.961 -0.385 . . . . 0.0 109.961 177.401 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 66' ' ' ILE . . . . . . . . . . . . . 37.4 mm -58.15 -41.79 81.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.167 178.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 67' ' ' ASN . . . . . . . . . . . . . 28.3 t-20 -64.06 -39.81 94.9 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.176 -178.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 68' ' ' ARG . . . . . . . . . . . . . 64.3 ttt180 -83.52 -23.2 32.19 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.223 0.535 . . . . 0.0 110.287 -179.095 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 69' ' ' TRP . . . . . 0.623 ' NE1' HD11 ' A' ' 95' ' ' ILE . 25.1 t90 -60.74 -47.18 87.44 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.276 -0.875 . . . . 0.0 110.579 178.162 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . -71.9 -6.33 63.49 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.938 -0.649 . . . . 0.0 112.32 176.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 71' ' ' SER . . . . . . . . . . . . . 38.1 t -94.95 -10.62 30.52 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.845 0.355 . . . . 0.0 110.108 178.708 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 72' ' ' VAL . . . . . . . . . . . . . 81.0 t -69.94 130.42 34.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.479 179.285 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 73' ' ' GLY . . . . . . . . . . . . . . . -64.33 127.48 34.91 Favored Glycine 0 N--CA 1.448 -0.56 0 N-CA-C 110.52 -1.032 . . . . 0.0 110.52 174.167 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 74' ' ' LYS . . . . . 0.463 ' O ' ' HG3' ' B' ' 78' ' ' MET . 7.0 ptpp? -68.25 -20.68 64.82 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 117.116 0.458 . . . . 0.0 111.253 -172.246 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 75' ' ' LYS . . . . . . . . . . . . . 56.6 tptt -64.42 -50.0 69.3 Favored 'General case' 0 C--O 1.235 0.297 0 N-CA-C 109.381 -0.6 . . . . 0.0 109.381 173.415 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 76' ' ' GLU . . . . . 0.492 ' O ' HG13 ' B' ' 80' ' ' ILE . 22.3 tp10 -62.76 -44.15 96.94 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.524 -0.762 . . . . 0.0 109.532 176.744 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 77' ' ' ALA . . . . . 0.512 ' O ' HG12 ' B' ' 81' ' ' ILE . . . -53.82 -46.06 71.01 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.867 -0.606 . . . . 0.0 111.144 178.646 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 78' ' ' MET . . . . . 0.463 ' HG3' ' O ' ' B' ' 74' ' ' LYS . 66.8 mtt -59.23 -42.15 90.35 Favored 'General case' 0 C--O 1.233 0.205 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.748 178.34 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 79' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -68.62 -37.05 79.43 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.769 179.645 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 80' ' ' ILE . . . . . 0.531 HD13 ' HA ' ' B' ' 45' ' ' ARG . 86.4 mt -64.34 -51.47 67.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.627 177.088 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 81' ' ' ILE . . . . . 0.512 HG12 ' O ' ' B' ' 77' ' ' ALA . 49.3 mm -59.34 -38.18 73.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.751 -179.875 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 82' ' ' LYS . . . . . . . . . . . . . 62.3 tttp -59.44 -49.17 78.82 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.89 -0.596 . . . . 0.0 110.464 177.143 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 83' ' ' LYS . . . . . . . . . . . . . 61.9 mttp -68.66 -36.22 78.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.826 -0.624 . . . . 0.0 110.896 179.57 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 84' ' ' PHE . . . . . 0.533 ' O ' ' HG ' ' B' ' 88' ' ' LEU . 0.3 OUTLIER -61.43 -53.53 55.29 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.782 -0.644 . . . . 0.0 110.357 -179.526 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 85' ' ' LYS . . . . . . . . . . . . . 96.7 mttt -63.17 -33.46 75.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.918 -179.852 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 86' ' ' LYS . . . . . . . . . . . . . 56.1 tttp -66.17 -45.23 81.61 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.532 178.102 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 87' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -66.45 -37.54 85.38 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.122 -179.07 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 88' ' ' LEU . . . . . 0.533 ' HG ' ' O ' ' B' ' 84' ' ' PHE . 96.8 mt -64.51 -37.45 87.59 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.979 178.044 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -63.18 -44.06 96.46 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.999 0.428 . . . . 0.0 110.442 178.057 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 90' ' ' ALA . . . . . 0.512 ' O ' HG13 ' B' ' 94' ' ' ILE . . . -65.31 -43.28 91.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.139 176.665 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 91' ' ' MET . . . . . 0.503 ' O ' HG12 ' B' ' 95' ' ' ILE . 41.6 ttm -54.01 -48.45 70.45 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.179 -0.919 . . . . 0.0 110.496 178.152 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 92' ' ' LEU . . . . . 0.438 ' HB2' HG13 ' A' ' 81' ' ' ILE . 50.7 tp -59.76 -44.07 94.03 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.418 -0.81 . . . . 0.0 111.261 179.75 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 93' ' ' ARG . . . . . . . . . . . . . 83.8 mtp180 -61.87 -34.41 75.96 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.24 -178.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 94' ' ' ILE . . . . . 0.583 ' O ' ' HG2' ' B' ' 98' ' ' ARG . 48.6 mt -76.56 -32.8 21.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-N 116.491 -0.322 . . . . 0.0 111.022 -179.538 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 95' ' ' ILE . . . . . 0.63 HD11 ' NE1' ' A' ' 69' ' ' TRP . 13.7 mm -56.28 -44.9 80.82 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.309 0 N-CA-C 109.201 -0.666 . . . . 0.0 109.201 173.652 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 96' ' ' ASN . . . . . 0.423 ' OD1' ' HE2' ' A' ' 74' ' ' LYS . 28.9 t30 -62.7 -44.65 95.69 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.013 -0.994 . . . . 0.0 110.324 175.885 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 97' ' ' ALA . . . . . . . . . . . . . . . -62.18 -25.14 67.6 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.093 -0.503 . . . . 0.0 112.052 -176.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 98' ' ' ARG . . . . . 0.583 ' HG2' ' O ' ' B' ' 94' ' ' ILE . 16.7 mmt180 . . . . . 0 C--N 1.33 -0.257 0 CA-C-O 120.776 0.322 . . . . 0.0 111.161 -179.125 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.443 -0.835 0 N-CA-C 112.025 -0.43 . . . . 0.0 112.025 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.467 ' O ' HG23 ' A' ' 47' ' ' VAL . 22.5 Cg_exo -65.0 171.72 8.37 Favored 'Trans proline' 0 N--CA 1.462 -0.338 0 C-N-CA 122.387 2.058 . . . . 0.0 111.429 174.912 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.474 ' HB ' HG13 ' A' ' 72' ' ' VAL . 24.6 pt -53.55 -33.0 21.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-O 120.991 0.424 . . . . 0.0 111.522 -177.197 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . 0.483 ' HA ' HD13 ' A' ' 80' ' ' ILE . 19.8 mtp180 -59.59 -46.43 88.96 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.038 177.782 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . 0.403 ' HG2' ' HA ' ' B' ' 57' ' ' THR . 84.2 mtp -77.55 -22.41 51.07 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.084 -178.299 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.467 HG23 ' O ' ' A' ' 43' ' ' PRO . 96.8 t -63.9 -41.62 93.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 N-CA-C 110.013 -0.366 . . . . 0.0 110.013 175.734 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 68.5 mt -71.8 -34.04 69.04 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.302 175.214 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -61.65 -50.58 71.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.051 177.75 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 15.4 tt -72.87 -25.63 22.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.587 -179.438 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.491 ' O ' ' HG2' ' A' ' 55' ' ' ARG . 12.9 tp -60.07 -58.24 9.37 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.083 175.778 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.442 ' O ' ' HD1' ' A' ' 56' ' ' PHE . . . -55.27 -42.95 74.24 Favored 'General case' 0 CA--C 1.516 -0.328 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.28 179.431 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.413 ' HB2' ' HB2' ' B' ' 53' ' ' PHE . 72.7 t80 -51.85 -59.65 4.07 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.273 175.248 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 95.1 mt -71.42 -6.68 42.11 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 112.505 0.557 . . . . 0.0 112.505 -175.545 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.499 HH11 ' HA ' ' A' ' 55' ' ' ARG . 10.4 mmm180 -98.24 -32.37 11.6 Favored 'General case' 0 C--N 1.327 -0.406 0 O-C-N 122.225 -0.297 . . . . 0.0 111.564 178.491 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . 0.442 ' HD1' ' O ' ' A' ' 52' ' ' ALA . 85.2 m-85 -96.98 -5.88 36.79 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 120.778 0.323 . . . . 0.0 110.958 179.189 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 70.3 p -100.59 -33.03 10.47 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.821 172.427 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -149.24 -179.59 7.16 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.816 -176.292 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.422 HD12 ' N ' ' A' ' 59' ' ' ILE . 4.1 mp -111.5 123.97 67.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.03 -179.644 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 88.8 tttt 63.75 99.52 0.04 OUTLIER Pre-proline 0 N--CA 1.466 0.365 0 O-C-N 123.721 0.638 . . . . 0.0 111.012 -178.473 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 36.1 Cg_exo -61.03 -66.59 0.06 OUTLIER 'Trans proline' 0 C--N 1.345 0.375 0 C-N-CA 123.246 2.631 . . . . 0.0 112.524 -178.274 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . 0.524 ' O ' HG12 ' A' ' 66' ' ' ILE . 61.8 p 178.98 151.27 0.31 Allowed 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 108.867 -0.79 . . . . 0.0 108.867 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 83.6 mt -67.92 -20.51 65.09 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.574 -0.285 . . . . 0.0 110.893 -178.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -72.59 -46.35 32.12 Favored Glycine 0 N--CA 1.448 -0.505 0 C-N-CA 121.05 -0.595 . . . . 0.0 112.018 176.654 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -67.03 -40.39 87.2 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.661 0.267 . . . . 0.0 110.487 178.145 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.524 HG12 ' O ' ' A' ' 62' ' ' SER . 49.5 mm -65.72 -32.18 57.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 121.136 0.493 . . . . 0.0 110.599 178.749 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 49.8 t-20 -63.28 -45.68 90.29 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.92 -0.582 . . . . 0.0 109.802 176.2 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . 0.413 HH11 HG21 ' A' ' 47' ' ' VAL . 22.4 ttt-85 -77.09 -22.78 52.24 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.271 0.557 . . . . 0.0 109.716 -178.275 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' TRP . . . . . 0.601 ' NE1' HD11 ' B' ' 95' ' ' ILE . 24.6 t90 -59.36 -44.58 92.67 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.149 -0.932 . . . . 0.0 110.482 176.762 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -74.51 -3.99 68.37 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.464 178.492 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 32.5 t -92.28 -17.32 24.92 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.843 0.354 . . . . 0.0 110.281 179.097 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.474 HG13 ' HB ' ' A' ' 44' ' ' ILE . 98.8 t -60.51 132.0 25.64 Favored 'Isoleucine or valine' 0 C--O 1.234 0.266 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.122 178.366 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -61.29 116.2 9.0 Favored Glycine 0 N--CA 1.442 -0.949 0 N-CA-C 110.471 -1.052 . . . . 0.0 110.471 175.677 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.582 ' O ' ' HG3' ' A' ' 78' ' ' MET . 4.9 ptpp? -62.65 -24.02 67.4 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.677 0.238 . . . . 0.0 111.497 -173.681 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 42.7 tptt -65.83 -50.06 65.97 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 109.719 -0.474 . . . . 0.0 109.719 171.762 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . 0.448 ' O ' HG13 ' A' ' 80' ' ' ILE . 10.1 tp10 -63.4 -38.9 92.92 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.661 -0.699 . . . . 0.0 109.729 178.289 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.418 ' O ' HG12 ' A' ' 81' ' ' ILE . . . -56.94 -43.45 81.54 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.7 177.67 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . 0.582 ' HG3' ' O ' ' A' ' 74' ' ' LYS . 67.9 mtt -61.41 -40.62 95.08 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.428 177.782 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 67.9 mm-40 -67.25 -45.97 75.11 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.882 178.418 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.515 ' O ' ' HB2' ' A' ' 84' ' ' PHE . 96.8 mt -60.63 -50.62 79.71 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.371 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.953 179.494 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.425 HG23 ' HB3' ' B' ' 88' ' ' LEU . 45.2 mm -62.79 -35.97 73.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-O 120.959 0.409 . . . . 0.0 110.93 -179.555 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 24.3 ttpp -62.59 -50.57 70.74 Favored 'General case' 0 C--O 1.238 0.457 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.933 178.504 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 18.8 ptpt -73.6 -25.44 60.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.52 -0.309 . . . . 0.0 110.546 179.474 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . 0.525 ' O ' ' HG ' ' A' ' 88' ' ' LEU . 1.8 t80 -62.46 -53.21 58.21 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.011 -0.54 . . . . 0.0 109.62 177.453 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -61.85 -35.54 78.57 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-N 115.716 -0.674 . . . . 0.0 110.606 178.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 26.4 ttpp -58.06 -51.26 70.44 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-N 115.861 -0.608 . . . . 0.0 110.789 176.539 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . 0.487 ' O ' ' HG3' ' A' ' 91' ' ' MET . 0.8 OUTLIER -70.01 -32.42 70.58 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.376 -178.691 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.525 ' HG ' ' O ' ' A' ' 84' ' ' PHE . 77.3 mt -61.22 -40.16 92.97 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.877 0.37 . . . . 0.0 110.404 175.729 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -62.58 -41.67 99.09 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.4 177.105 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . 0.599 ' O ' HG13 ' A' ' 94' ' ' ILE . . . -63.55 -47.63 80.81 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.546 176.252 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' MET . . . . . 0.555 ' O ' HG12 ' A' ' 95' ' ' ILE . 65.6 mtt -56.46 -51.0 70.07 Favored 'General case' 0 N--CA 1.463 0.199 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.663 179.251 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 7.7 tt -55.09 -45.53 75.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.594 177.635 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 1.5 ttp180 -60.2 -38.08 82.19 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.322 -0.854 . . . . 0.0 111.138 178.571 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . 0.603 ' O ' ' HG2' ' A' ' 98' ' ' ARG . 62.1 mt -74.82 -34.0 32.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 116.627 -0.261 . . . . 0.0 111.214 -179.667 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.608 HD11 ' NE1' ' B' ' 69' ' ' TRP . 14.3 mm -54.91 -46.19 75.9 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.336 0 N-CA-C 109.268 -0.641 . . . . 0.0 109.268 175.109 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 93.0 m-20 -60.62 -42.78 97.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.341 -0.845 . . . . 0.0 110.606 175.118 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -70.18 -14.77 62.78 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.347 -0.388 . . . . 0.0 112.028 -176.073 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . 0.603 ' HG2' ' O ' ' A' ' 94' ' ' ILE . 12.4 mmm180 . . . . . 0 C--N 1.326 -0.42 0 CA-C-O 120.863 0.363 . . . . 0.0 110.925 178.355 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 42' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.443 -0.834 0 N-CA-C 112.064 -0.414 . . . . 0.0 112.064 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' B' B ' 43' ' ' PRO . . . . . 0.47 ' O ' HG23 ' B' ' 47' ' ' VAL . 22.5 Cg_exo -64.86 172.01 7.76 Favored 'Trans proline' 0 N--CA 1.462 -0.369 0 C-N-CA 122.44 2.094 . . . . 0.0 111.348 175.135 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 44' ' ' ILE . . . . . 0.483 ' HB ' HG13 ' B' ' 72' ' ' VAL . 24.1 pt -53.89 -33.04 23.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-O 120.888 0.375 . . . . 0.0 111.51 -177.198 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 45' ' ' ARG . . . . . 0.476 ' HA ' HD13 ' B' ' 80' ' ' ILE . 19.9 mtp180 -59.43 -46.45 88.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.879 -0.6 . . . . 0.0 111.073 177.655 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 46' ' ' MET . . . . . . . . . . . . . 84.7 mtp -77.66 -22.23 50.93 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.127 -178.253 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 47' ' ' VAL . . . . . 0.47 HG23 ' O ' ' B' ' 43' ' ' PRO . 96.8 t -63.96 -41.68 93.28 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 N-CA-C 109.937 -0.394 . . . . 0.0 109.937 175.685 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 67.8 mt -71.86 -33.98 68.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.906 0.384 . . . . 0.0 110.341 175.205 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -61.6 -50.6 71.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.026 -0.533 . . . . 0.0 111.131 177.629 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 50' ' ' ILE . . . . . . . . . . . . . 15.5 tt -72.92 -25.7 22.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.558 -179.397 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 51' ' ' LEU . . . . . 0.497 ' O ' ' HG2' ' B' ' 55' ' ' ARG . 12.8 tp -59.99 -58.25 9.34 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.394 -0.367 . . . . 0.0 110.088 175.788 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 52' ' ' ALA . . . . . 0.436 ' O ' ' HD1' ' B' ' 56' ' ' PHE . . . -55.25 -42.86 74.03 Favored 'General case' 0 CA--C 1.517 -0.306 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.307 179.437 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 53' ' ' PHE . . . . . 0.413 ' HB2' ' HB2' ' A' ' 53' ' ' PHE . 72.3 t80 -52.03 -59.62 4.14 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.225 175.293 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 54' ' ' LEU . . . . . . . . . . . . . 95.1 mt -71.42 -6.54 41.05 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 112.519 0.563 . . . . 0.0 112.519 -175.547 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 55' ' ' ARG . . . . . 0.497 ' HA ' HH11 ' B' ' 55' ' ' ARG . 10.4 mmm180 -98.48 -31.93 11.73 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.692 0.282 . . . . 0.0 111.621 178.411 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 56' ' ' PHE . . . . . 0.436 ' HD1' ' O ' ' B' ' 52' ' ' ALA . 84.8 m-85 -97.32 -5.75 35.88 Favored 'General case' 0 C--N 1.321 -0.667 0 C-N-CA 120.886 -0.326 . . . . 0.0 110.909 179.137 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 57' ' ' THR . . . . . 0.403 ' HA ' ' HG2' ' A' ' 46' ' ' MET . 70.5 p -100.6 -33.06 10.46 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.868 172.581 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -149.39 -179.43 7.06 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.78 -176.204 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 59' ' ' ILE . . . . . 0.416 ' N ' HD12 ' B' ' 59' ' ' ILE . 4.1 mp -111.72 124.29 68.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 N-CA-C 109.895 -0.409 . . . . 0.0 109.895 -179.388 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 88.8 tttt 63.44 99.72 0.04 OUTLIER Pre-proline 0 N--CA 1.466 0.346 0 O-C-N 123.817 0.698 . . . . 0.0 110.856 -178.484 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 61' ' ' PRO . . . . . . . . . . . . . 36.4 Cg_exo -61.17 -67.42 0.05 OUTLIER 'Trans proline' 0 C--N 1.345 0.377 0 C-N-CA 123.226 2.617 . . . . 0.0 112.313 -178.564 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 62' ' ' SER . . . . . 0.526 ' O ' HG12 ' B' ' 66' ' ' ILE . 61.6 p 179.78 151.4 0.39 Allowed 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.792 -0.818 . . . . 0.0 108.792 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 82.7 mt -67.93 -20.97 65.13 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.658 -0.246 . . . . 0.0 110.834 -178.848 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -72.25 -46.35 34.89 Favored Glycine 0 N--CA 1.449 -0.462 0 C-N-CA 121.076 -0.583 . . . . 0.0 112.071 176.634 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -67.01 -40.33 87.26 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.544 0.211 . . . . 0.0 110.545 178.033 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 66' ' ' ILE . . . . . 0.526 HG12 ' O ' ' B' ' 62' ' ' SER . 49.4 mm -65.89 -31.96 56.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-O 121.123 0.487 . . . . 0.0 110.572 178.784 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 67' ' ' ASN . . . . . . . . . . . . . 49.3 t-20 -63.4 -45.62 90.22 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.995 -0.548 . . . . 0.0 109.857 176.031 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 68' ' ' ARG . . . . . 0.418 HH11 HG21 ' B' ' 47' ' ' VAL . 23.7 ttt-85 -77.15 -22.56 52.37 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.306 0.574 . . . . 0.0 109.763 -178.267 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 69' ' ' TRP . . . . . 0.608 ' NE1' HD11 ' A' ' 95' ' ' ILE . 24.7 t90 -59.55 -44.57 93.19 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.086 -0.961 . . . . 0.0 110.435 176.911 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . -74.34 -4.55 69.4 Favored Glycine 0 N--CA 1.45 -0.405 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.499 178.496 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 71' ' ' SER . . . . . . . . . . . . . 31.6 t -91.85 -17.44 25.28 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.885 0.374 . . . . 0.0 110.23 179.262 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 72' ' ' VAL . . . . . 0.483 HG13 ' HB ' ' B' ' 44' ' ' ILE . 98.7 t -60.4 132.07 25.54 Favored 'Isoleucine or valine' 0 C--O 1.234 0.27 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.112 178.354 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 73' ' ' GLY . . . . . . . . . . . . . . . -61.56 116.36 9.24 Favored Glycine 0 N--CA 1.441 -1.016 0 N-CA-C 110.346 -1.102 . . . . 0.0 110.346 175.841 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 74' ' ' LYS . . . . . 0.584 ' O ' ' HG3' ' B' ' 78' ' ' MET . 4.9 ptpp? -62.73 -23.86 67.39 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.746 0.273 . . . . 0.0 111.501 -173.567 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 75' ' ' LYS . . . . . . . . . . . . . 42.5 tptt -65.86 -50.16 65.53 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 109.709 -0.478 . . . . 0.0 109.709 171.823 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 76' ' ' GLU . . . . . 0.445 ' O ' HG13 ' B' ' 80' ' ' ILE . 9.5 tp10 -63.29 -38.83 92.69 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.689 -0.687 . . . . 0.0 109.74 178.241 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 77' ' ' ALA . . . . . 0.405 ' O ' HG12 ' B' ' 81' ' ' ILE . . . -56.84 -43.58 81.26 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.719 177.582 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 78' ' ' MET . . . . . 0.584 ' HG3' ' O ' ' B' ' 74' ' ' LYS . 67.9 mtt -61.16 -40.88 95.52 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.49 177.865 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 79' ' ' GLU . . . . . . . . . . . . . 67.7 mm-40 -67.09 -45.9 75.88 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.924 178.419 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 80' ' ' ILE . . . . . 0.516 ' O ' ' HB2' ' B' ' 84' ' ' PHE . 96.9 mt -60.72 -50.61 79.78 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.334 0 CA-C-N 115.839 -0.618 . . . . 0.0 110.903 179.524 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 81' ' ' ILE . . . . . 0.414 HG23 ' HB3' ' A' ' 88' ' ' LEU . 45.3 mm -62.9 -35.97 73.55 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-O 120.874 0.368 . . . . 0.0 110.885 -179.606 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 82' ' ' LYS . . . . . . . . . . . . . 24.1 ttpp -62.48 -50.8 69.99 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.891 178.426 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 83' ' ' LYS . . . . . . . . . . . . . 18.8 ptpt -73.49 -25.21 60.35 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.801 0.334 . . . . 0.0 110.564 179.583 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 84' ' ' PHE . . . . . 0.525 ' O ' ' HG ' ' B' ' 88' ' ' LEU . 1.8 t80 -62.62 -53.21 57.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.044 -0.526 . . . . 0.0 109.588 177.432 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 85' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -61.88 -35.28 77.86 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.653 178.884 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 86' ' ' LYS . . . . . . . . . . . . . 26.4 ttpp -58.23 -51.65 68.87 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.653 176.428 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 87' ' ' ASP . . . . . 0.478 ' O ' ' HG3' ' B' ' 91' ' ' MET . 0.7 OUTLIER -69.55 -32.32 71.04 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.501 -178.548 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 88' ' ' LEU . . . . . 0.525 ' HG ' ' O ' ' B' ' 84' ' ' PHE . 78.2 mt -61.47 -40.0 92.96 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.896 0.379 . . . . 0.0 110.354 175.91 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -62.67 -41.82 99.29 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.335 177.058 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 90' ' ' ALA . . . . . 0.598 ' O ' HG13 ' B' ' 94' ' ' ILE . . . -63.39 -47.47 81.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.596 176.345 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 91' ' ' MET . . . . . 0.546 ' O ' HG12 ' B' ' 95' ' ' ILE . 65.6 mtt -56.49 -51.12 69.68 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.608 179.187 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 92' ' ' LEU . . . . . . . . . . . . . 7.7 tt -55.07 -45.54 75.35 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.625 177.659 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 93' ' ' ARG . . . . . 0.434 HH11 ' HD2' ' B' ' 93' ' ' ARG . 1.4 ttp180 -60.07 -38.27 82.37 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.297 -0.865 . . . . 0.0 111.173 178.515 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 94' ' ' ILE . . . . . 0.602 ' O ' ' HG2' ' B' ' 98' ' ' ARG . 62.6 mt -74.8 -33.97 32.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.638 -0.255 . . . . 0.0 111.172 -179.584 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 95' ' ' ILE . . . . . 0.601 HD11 ' NE1' ' A' ' 69' ' ' TRP . 14.1 mm -54.72 -46.35 73.86 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.301 0 N-CA-C 109.203 -0.665 . . . . 0.0 109.203 175.016 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 96' ' ' ASN . . . . . . . . . . . . . 92.6 m-20 -60.66 -42.53 97.22 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.339 -0.846 . . . . 0.0 110.725 175.364 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 97' ' ' ALA . . . . . . . . . . . . . . . -70.3 -14.78 62.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.33 -0.396 . . . . 0.0 111.981 -176.199 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 98' ' ' ARG . . . . . 0.602 ' HG2' ' O ' ' B' ' 94' ' ' ILE . 12.4 mmm180 . . . . . 0 C--N 1.325 -0.46 0 CA-C-O 120.789 0.328 . . . . 0.0 110.839 178.38 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.445 -0.716 0 N-CA-C 112.492 -0.243 . . . . 0.0 112.492 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.476 ' O ' HG23 ' A' ' 47' ' ' VAL . 22.8 Cg_exo -65.47 174.71 4.93 Favored 'Trans proline' 0 C--O 1.233 0.235 0 C-N-CA 122.964 2.443 . . . . 0.0 112.294 177.333 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 22.7 pt -53.9 -38.28 36.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 N-CA-C 112.642 0.608 . . . . 0.0 112.642 -173.301 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 19.0 mtp180 -62.5 -45.61 92.2 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-O 120.896 0.379 . . . . 0.0 110.719 179.446 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . 0.554 ' O ' HG13 ' A' ' 50' ' ' ILE . 24.1 mtt -60.18 -36.25 77.21 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.836 176.2 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.476 HG23 ' O ' ' A' ' 43' ' ' PRO . 64.0 t -60.36 -45.93 95.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.454 -0.339 . . . . 0.0 111.011 -178.75 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 11.1 mp -65.56 -32.46 74.06 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.803 0.335 . . . . 0.0 110.8 178.523 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -69.31 -47.63 63.9 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.875 176.39 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.554 HG13 ' O ' ' A' ' 46' ' ' MET . 61.3 mt -64.46 -33.37 62.45 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.166 0 CA-C-O 121.132 0.492 . . . . 0.0 109.897 177.715 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.639 ' O ' ' HG2' ' A' ' 55' ' ' ARG . 14.6 tp -56.38 -59.03 5.55 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.515 -0.766 . . . . 0.0 110.111 175.323 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.446 ' O ' ' HD1' ' A' ' 56' ' ' PHE . . . -57.47 -41.93 81.61 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.899 -0.592 . . . . 0.0 110.634 -179.818 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 88.2 t80 -52.02 -59.87 3.85 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.266 175.522 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 96.0 mt -65.88 -15.36 62.87 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 112.298 0.481 . . . . 0.0 112.298 -176.895 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.639 ' HG2' ' O ' ' A' ' 51' ' ' LEU . 41.4 mmt180 -82.96 -50.04 8.98 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.1 0.476 . . . . 0.0 111.301 178.145 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . 0.575 ' CZ ' ' HA ' ' B' ' 84' ' ' PHE . 87.7 m-85 -89.56 -13.97 36.13 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.759 -172.689 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 44.6 p -99.99 -46.75 5.24 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.257 0.551 . . . . 0.0 110.574 176.589 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -119.11 -178.83 3.66 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.409 -172.46 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 4.2 mp -120.72 124.55 72.63 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-N 115.755 -0.657 . . . . 0.0 109.314 176.8 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 1.6 tmtp? 72.83 96.92 0.04 OUTLIER Pre-proline 0 C--O 1.234 0.277 0 O-C-N 124.017 0.823 . . . . 0.0 110.31 -178.782 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 16.0 Cg_exo -70.16 144.96 53.48 Favored 'Trans proline' 0 C--O 1.236 0.386 0 C-N-CA 123.049 2.499 . . . . 0.0 111.539 174.905 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 39.1 m -57.84 139.33 54.35 Favored 'General case' 0 C--O 1.237 0.404 0 CA-C-O 121.309 0.576 . . . . 0.0 111.138 179.873 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 96.2 mt -66.35 -16.47 64.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.317 -0.856 . . . . 0.0 112.256 -172.283 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -64.81 -48.4 72.46 Favored Glycine 0 C--O 1.238 0.386 0 C-N-CA 120.498 -0.858 . . . . 0.0 111.313 174.526 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -64.09 -40.42 96.2 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 109.657 -0.497 . . . . 0.0 109.657 176.729 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.455 ' O ' ' HB3' ' A' ' 69' ' ' TRP . 49.0 mm -63.3 -34.94 70.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 115.727 -0.67 . . . . 0.0 111.03 178.613 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 -64.87 -40.84 95.77 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.523 179.369 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 28.2 ttm180 -81.97 -24.2 35.63 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.086 0.47 . . . . 0.0 109.838 179.514 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' TRP . . . . . 0.59 ' NE1' HD11 ' B' ' 95' ' ' ILE . 38.3 t90 -56.91 -50.75 71.59 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.377 -0.829 . . . . 0.0 110.38 175.189 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -75.18 -0.7 61.9 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.846 -0.692 . . . . 0.0 112.592 178.295 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 33.2 t -95.25 -10.1 31.31 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.943 0.402 . . . . 0.0 110.172 178.756 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 40.1 t -75.11 140.05 18.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-N 115.961 -0.563 . . . . 0.0 109.634 177.661 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -68.0 136.85 31.15 Favored Glycine 0 N--CA 1.441 -0.988 0 N-CA-C 111.042 -0.823 . . . . 0.0 111.042 177.243 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.433 ' HD3' ' HA ' ' B' ' 96' ' ' ASN . 44.1 mttp -59.56 -42.83 93.34 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 120.836 0.35 . . . . 0.0 110.311 -175.882 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 55.6 tptt -63.71 -45.21 91.02 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.545 177.357 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . 0.477 ' O ' HG13 ' A' ' 80' ' ' ILE . 15.8 tp10 -61.61 -45.49 93.87 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.854 -0.612 . . . . 0.0 109.993 -179.719 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -60.4 -40.63 91.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.676 178.638 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . 0.541 ' SD ' HD21 ' B' ' 92' ' ' LEU . 61.2 mmm -55.85 -42.61 76.09 Favored 'General case' 0 C--O 1.233 0.237 0 CA-C-O 120.947 0.403 . . . . 0.0 110.595 177.433 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -73.25 -38.77 65.86 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.775 -0.648 . . . . 0.0 111.002 -179.31 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.477 HG13 ' O ' ' A' ' 76' ' ' GLU . 86.1 mt -65.05 -48.55 83.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.574 178.502 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 41.2 mm -63.61 -34.26 66.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.67 179.458 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 29.2 ttpp -58.87 -49.85 76.23 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.093 0.473 . . . . 0.0 110.108 175.549 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 14.0 tmtt? -67.2 -36.22 81.26 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.815 -0.63 . . . . 0.0 109.623 178.759 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . 0.592 ' HA ' ' CZ ' ' B' ' 56' ' ' PHE . 1.4 t80 -59.18 -54.41 47.2 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.5 -0.773 . . . . 0.0 110.589 -179.79 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 99.7 mttt -58.67 -44.97 90.37 Favored 'General case' 0 C--O 1.233 0.19 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.125 -179.59 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 60.8 mtpt -66.05 -36.58 83.63 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.377 -177.491 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 16.9 t0 -68.97 -39.53 79.39 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 109.306 -0.628 . . . . 0.0 109.306 179.363 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.503 ' HG ' ' O ' ' A' ' 84' ' ' PHE . 96.2 mt -59.33 -46.21 89.22 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.533 -0.758 . . . . 0.0 110.087 174.908 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -61.58 -36.36 80.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.741 -0.663 . . . . 0.0 111.361 -179.558 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . 0.573 ' O ' HG13 ' A' ' 94' ' ' ILE . . . -67.53 -50.4 58.85 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.567 178.75 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 74.4 mtm -66.07 -34.23 77.59 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.725 179.715 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.552 HD21 ' SD ' ' B' ' 78' ' ' MET . 51.6 tp -56.33 -45.42 80.36 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.564 0.697 . . . . 0.0 110.336 173.855 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 67.4 ttt180 -64.72 -32.72 74.52 Favored 'General case' 0 N--CA 1.439 -1.01 0 CA-C-N 115.472 -0.786 . . . . 0.0 110.672 178.736 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . 0.573 HG13 ' O ' ' A' ' 90' ' ' ALA . 19.5 mt -70.71 -28.63 34.87 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 C-N-CA 120.794 -0.363 . . . . 0.0 110.315 177.809 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.569 HD11 ' NE1' ' B' ' 69' ' ' TRP . 29.7 mm -57.39 -48.08 83.4 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.14 0 CA-C-O 121.631 0.729 . . . . 0.0 109.157 171.138 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' ASN . . . . . 0.438 ' HA ' ' HD3' ' B' ' 74' ' ' LYS . 51.1 t30 -66.41 -35.54 80.58 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 114.894 -1.048 . . . . 0.0 110.403 177.245 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . 0.488 ' HB3' ' HA ' ' A' ' 94' ' ' ILE . . . -71.14 -7.46 46.82 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.556 -0.747 . . . . 0.0 112.137 -178.71 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . 0.401 ' HG2' ' O ' ' A' ' 94' ' ' ILE . 5.2 mmp_? . . . . . 0 C--N 1.331 -0.209 0 CA-C-O 120.956 0.407 . . . . 0.0 110.517 178.696 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 42' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.446 -0.692 0 N-CA-C 112.543 -0.223 . . . . 0.0 112.543 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' B' B ' 43' ' ' PRO . . . . . 0.476 ' O ' HG23 ' B' ' 47' ' ' VAL . 22.8 Cg_exo -65.63 174.79 5.0 Favored 'Trans proline' 0 C--N 1.343 0.282 0 C-N-CA 122.817 2.344 . . . . 0.0 112.311 177.57 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 22.5 pt -53.92 -38.38 36.55 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 N-CA-C 112.564 0.579 . . . . 0.0 112.564 -173.181 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 19.0 mtp180 -62.19 -45.47 93.23 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-O 120.861 0.362 . . . . 0.0 110.803 179.335 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 46' ' ' MET . . . . . 0.552 ' O ' HG13 ' B' ' 50' ' ' ILE . 24.0 mtt -60.66 -36.11 77.9 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.734 176.518 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 47' ' ' VAL . . . . . 0.476 HG23 ' O ' ' B' ' 43' ' ' PRO . 63.4 t -60.33 -45.95 95.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.11 -178.873 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 11.1 mp -65.37 -32.68 74.45 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.74 0.305 . . . . 0.0 110.924 178.355 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -69.07 -47.71 64.59 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.922 176.258 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 50' ' ' ILE . . . . . 0.552 HG13 ' O ' ' B' ' 46' ' ' MET . 61.2 mt -64.36 -33.57 63.59 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.16 0 CA-C-O 121.146 0.498 . . . . 0.0 109.95 177.729 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 51' ' ' LEU . . . . . 0.637 ' O ' ' HG2' ' B' ' 55' ' ' ARG . 14.7 tp -56.29 -58.98 5.68 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.531 -0.759 . . . . 0.0 110.124 175.287 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 52' ' ' ALA . . . . . 0.468 ' O ' ' HD1' ' B' ' 56' ' ' PHE . . . -57.5 -41.99 81.85 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.676 -179.859 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 53' ' ' PHE . . . . . . . . . . . . . 88.3 t80 -51.97 -59.75 3.98 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.351 175.471 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 54' ' ' LEU . . . . . . . . . . . . . 96.0 mt -66.0 -15.48 63.06 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 112.29 0.478 . . . . 0.0 112.29 -176.879 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 55' ' ' ARG . . . . . 0.637 ' HG2' ' O ' ' B' ' 51' ' ' LEU . 41.6 mmt180 -82.76 -50.47 8.65 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.077 0.465 . . . . 0.0 111.181 178.094 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 56' ' ' PHE . . . . . 0.592 ' CZ ' ' HA ' ' A' ' 84' ' ' PHE . 87.3 m-85 -89.03 -13.86 37.77 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.755 -172.484 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 57' ' ' THR . . . . . . . . . . . . . 44.3 p -100.15 -46.88 5.16 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.304 0.574 . . . . 0.0 110.572 176.47 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -118.83 -178.4 3.54 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.339 -172.508 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 59' ' ' ILE . . . . . . . . . . . . . 4.2 mp -121.02 124.37 72.1 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-N 115.643 -0.708 . . . . 0.0 109.45 176.713 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 1.6 tmtp? 73.08 96.88 0.04 OUTLIER Pre-proline 0 N--CA 1.465 0.292 0 O-C-N 124.017 0.823 . . . . 0.0 110.222 -178.758 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 61' ' ' PRO . . . . . . . . . . . . . 16.0 Cg_exo -70.15 145.03 53.73 Favored 'Trans proline' 0 C--O 1.234 0.299 0 C-N-CA 123.074 2.516 . . . . 0.0 111.561 174.863 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 33.2 m -57.96 139.15 55.02 Favored 'General case' 0 C--O 1.237 0.447 0 CA-C-O 121.201 0.524 . . . . 0.0 111.162 179.891 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 96.0 mt -66.04 -16.56 64.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.367 -0.833 . . . . 0.0 112.279 -172.397 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -64.69 -48.64 70.39 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.522 -0.847 . . . . 0.0 111.333 174.443 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -64.05 -40.38 96.15 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 109.755 -0.461 . . . . 0.0 109.755 176.759 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 66' ' ' ILE . . . . . 0.468 ' O ' ' HB3' ' B' ' 69' ' ' TRP . 48.8 mm -63.05 -35.47 71.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 115.736 -0.665 . . . . 0.0 110.919 178.432 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 67' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 -64.54 -41.17 96.52 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.477 179.728 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 68' ' ' ARG . . . . . . . . . . . . . 27.5 ttm180 -81.52 -24.17 36.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.124 0.488 . . . . 0.0 109.93 179.599 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 69' ' ' TRP . . . . . 0.569 ' NE1' HD11 ' A' ' 95' ' ' ILE . 38.5 t90 -56.99 -50.64 72.09 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.37 -0.832 . . . . 0.0 110.372 175.24 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . -74.95 -1.51 62.88 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.93 -0.652 . . . . 0.0 112.564 178.367 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 71' ' ' SER . . . . . . . . . . . . . 34.6 t -94.67 -9.84 33.63 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.05 0.452 . . . . 0.0 110.089 178.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 72' ' ' VAL . . . . . . . . . . . . . 39.9 t -75.42 139.91 18.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 115.968 -0.56 . . . . 0.0 109.685 177.619 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 73' ' ' GLY . . . . . . . . . . . . . . . -68.03 136.75 31.02 Favored Glycine 0 N--CA 1.44 -1.085 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 177.402 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 74' ' ' LYS . . . . . 0.438 ' HD3' ' HA ' ' A' ' 96' ' ' ASN . 44.4 mttp -59.56 -42.93 93.53 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 120.849 0.357 . . . . 0.0 110.384 -175.861 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 75' ' ' LYS . . . . . . . . . . . . . 55.6 tptt -63.6 -45.29 91.05 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.592 177.259 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 76' ' ' GLU . . . . . 0.485 ' O ' HG13 ' B' ' 80' ' ' ILE . 15.9 tp10 -61.42 -45.68 93.3 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.762 -0.654 . . . . 0.0 109.998 -179.671 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 77' ' ' ALA . . . . . . . . . . . . . . . -60.29 -40.53 90.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.774 178.628 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 78' ' ' MET . . . . . 0.552 ' SD ' HD21 ' A' ' 92' ' ' LEU . 61.2 mmm -55.92 -42.56 76.29 Favored 'General case' 0 N--CA 1.462 0.175 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.592 177.402 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 79' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -73.5 -38.39 65.37 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.045 -179.125 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 80' ' ' ILE . . . . . 0.485 HG13 ' O ' ' B' ' 76' ' ' GLU . 85.7 mt -65.27 -48.51 83.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.614 178.232 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 81' ' ' ILE . . . . . . . . . . . . . 41.3 mm -63.68 -34.22 66.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.901 0.381 . . . . 0.0 110.734 179.399 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 82' ' ' LYS . . . . . . . . . . . . . 29.2 ttpp -58.78 -49.97 75.67 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.161 175.458 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 83' ' ' LYS . . . . . . . . . . . . . 13.9 tmtt? -67.18 -36.17 81.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.784 -0.644 . . . . 0.0 109.686 178.548 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 84' ' ' PHE . . . . . 0.575 ' HA ' ' CZ ' ' A' ' 56' ' ' PHE . 1.4 t80 -59.28 -54.26 48.91 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.637 -0.711 . . . . 0.0 110.528 -179.786 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 85' ' ' LYS . . . . . . . . . . . . . 99.7 mttt -58.95 -44.55 91.46 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.149 -179.456 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 86' ' ' LYS . . . . . . . . . . . . . 60.2 mtpt -66.17 -36.87 84.23 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.372 -177.506 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 87' ' ' ASP . . . . . . . . . . . . . 16.1 t0 -68.81 -39.27 80.17 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 109.543 -0.54 . . . . 0.0 109.543 179.251 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 88' ' ' LEU . . . . . 0.508 ' HG ' ' O ' ' B' ' 84' ' ' PHE . 96.1 mt -59.62 -45.93 90.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.555 -0.748 . . . . 0.0 110.028 174.913 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -61.71 -36.68 81.64 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.764 -0.653 . . . . 0.0 111.284 -179.488 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 90' ' ' ALA . . . . . 0.575 ' O ' HG13 ' B' ' 94' ' ' ILE . . . -67.42 -50.25 60.21 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.608 178.935 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 91' ' ' MET . . . . . . . . . . . . . 74.1 mtm -66.05 -34.11 77.34 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.812 179.382 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 92' ' ' LEU . . . . . 0.541 HD21 ' SD ' ' A' ' 78' ' ' MET . 51.3 tp -56.48 -45.31 81.0 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.547 0.689 . . . . 0.0 110.304 173.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 93' ' ' ARG . . . . . . . . . . . . . 67.6 ttt180 -64.63 -33.06 75.05 Favored 'General case' 0 N--CA 1.439 -1.016 0 CA-C-N 115.482 -0.781 . . . . 0.0 110.665 178.664 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 94' ' ' ILE . . . . . 0.575 HG13 ' O ' ' B' ' 90' ' ' ALA . 19.4 mt -70.47 -28.64 35.65 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 C-N-CA 120.853 -0.339 . . . . 0.0 110.306 177.878 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 95' ' ' ILE . . . . . 0.59 HD11 ' NE1' ' A' ' 69' ' ' TRP . 29.6 mm -57.5 -48.0 83.86 Favored 'Isoleucine or valine' 0 C--O 1.233 0.217 0 N-CA-C 109.034 -0.728 . . . . 0.0 109.034 171.159 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 96' ' ' ASN . . . . . 0.433 ' HA ' ' HD3' ' A' ' 74' ' ' LYS . 50.7 t30 -66.5 -35.38 80.11 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.042 -0.981 . . . . 0.0 110.376 177.331 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 97' ' ' ALA . . . . . 0.488 ' HB3' ' HA ' ' B' ' 94' ' ' ILE . . . -71.22 -7.73 48.84 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.594 -0.73 . . . . 0.0 112.1 -178.762 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 98' ' ' ARG . . . . . 0.41 ' HG2' ' O ' ' B' ' 94' ' ' ILE . 5.2 mmp_? . . . . . 0 C--N 1.33 -0.267 0 CA-C-O 120.869 0.366 . . . . 0.0 110.594 178.616 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.441 -0.975 0 N-CA-C 111.078 -0.809 . . . . 0.0 111.078 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.526 ' HD2' ' SD ' ' A' ' 46' ' ' MET . 31.6 Cg_exo -60.37 161.66 19.61 Favored 'Trans proline' 0 C--N 1.343 0.281 0 C-N-CA 122.816 2.344 . . . . 0.0 111.52 178.449 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.53 HD12 ' HG2' ' A' ' 76' ' ' GLU . 11.2 pt -55.59 -26.38 19.62 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.337 0 N-CA-C 113.44 0.904 . . . . 0.0 113.44 -169.232 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . 0.491 HH11 HD11 ' A' ' 80' ' ' ILE . 3.4 mpt_? -61.86 -50.17 73.3 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-O 121.59 0.709 . . . . 0.0 109.48 172.785 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . 0.526 ' SD ' ' HD2' ' A' ' 43' ' ' PRO . 80.4 mtp -70.74 -29.28 65.48 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 114.963 -1.017 . . . . 0.0 111.007 -179.249 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 98.2 t -62.35 -46.15 97.1 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.156 0 CA-C-O 120.775 0.322 . . . . 0.0 110.461 178.912 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 80.5 mt -68.87 -35.19 76.6 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.822 177.689 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -65.93 -48.82 70.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.436 179.08 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.41 ' O ' ' HB3' ' A' ' 53' ' ' PHE . 15.0 tt -71.4 -25.33 24.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.878 0.37 . . . . 0.0 110.3 -179.577 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.556 HD23 ' SD ' ' B' ' 91' ' ' MET . 11.9 tp -62.36 -55.81 24.38 Favored 'General case' 0 N--CA 1.451 -0.413 0 N-CA-C 109.652 -0.499 . . . . 0.0 109.652 176.133 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -57.44 -37.78 73.38 Favored 'General case' 0 CA--C 1.52 -0.196 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.585 178.174 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.41 ' HB3' ' O ' ' A' ' 50' ' ' ILE . 91.7 t80 -54.03 -56.11 21.05 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.609 -0.723 . . . . 0.0 109.72 173.82 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 81.1 mt -69.7 -10.05 56.78 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.989 -178.762 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.556 ' HG2' ' O ' ' A' ' 51' ' ' LEU . 27.7 mmm180 -85.34 -37.4 19.96 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.949 0.404 . . . . 0.0 111.044 177.407 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . 0.447 ' CZ ' ' HA ' ' B' ' 84' ' ' PHE . 66.4 m-85 -106.96 -10.92 15.82 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.277 -0.42 . . . . 0.0 112.042 -175.595 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . 0.421 ' HA ' ' HG2' ' B' ' 46' ' ' MET . 27.3 p -108.68 -1.57 19.35 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.201 0.524 . . . . 0.0 110.695 175.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -156.6 177.54 11.36 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.846 -0.615 . . . . 0.0 109.82 -177.164 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.468 ' O ' HG22 ' A' ' 59' ' ' ILE . 3.3 mp -122.12 38.86 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-O 122.257 1.027 . . . . 0.0 110.087 179.435 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 54.3 tttp 173.79 118.72 0.09 OUTLIER Pre-proline 0 C--N 1.319 -0.761 0 CA-C-N 114.304 -1.317 . . . . 0.0 110.427 177.114 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 3.0 Cg_exo -76.82 135.3 15.7 Favored 'Trans proline' 0 N--CA 1.457 -0.639 0 C-N-CA 122.34 2.027 . . . . 0.0 110.689 169.212 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . 0.41 ' HB2' HD23 ' A' ' 65' ' ' LEU . 14.7 m -60.93 142.26 56.54 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.217 0.532 . . . . 0.0 110.659 -179.382 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 87.4 mt -58.24 -30.37 66.49 Favored 'General case' 0 C--O 1.224 -0.289 0 CA-C-N 115.069 -0.969 . . . . 0.0 112.773 -170.581 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -58.11 -44.76 94.6 Favored Glycine 0 C--O 1.239 0.435 0 C-N-CA 120.295 -0.955 . . . . 0.0 111.428 177.555 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.41 HD23 ' HB2' ' A' ' 62' ' ' SER . 2.9 mm? -66.76 -40.5 88.27 Favored 'General case' 0 C--O 1.219 -0.506 0 N-CA-C 109.76 -0.459 . . . . 0.0 109.76 177.395 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.434 ' O ' ' HB3' ' A' ' 69' ' ' TRP . 41.6 mm -62.0 -42.89 96.58 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.349 0 CA-C-O 121.122 0.487 . . . . 0.0 111.247 179.44 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 7.2 m120 -61.61 -39.4 91.1 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.894 -0.593 . . . . 0.0 111.401 179.579 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 55.8 ttt180 -83.9 -23.77 31.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.292 0.568 . . . . 0.0 110.254 179.456 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' TRP . . . . . 0.543 ' NE1' HD11 ' B' ' 95' ' ' ILE . 36.3 t90 -58.57 -46.98 85.75 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.282 -0.872 . . . . 0.0 110.582 176.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -68.86 -11.9 63.89 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.842 -0.694 . . . . 0.0 112.598 178.132 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 23.7 t -86.64 -19.34 29.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.748 0.308 . . . . 0.0 110.321 179.101 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 28.3 t -66.42 135.34 28.64 Favored 'Isoleucine or valine' 0 C--O 1.235 0.325 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 173.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -80.55 151.96 33.23 Favored Glycine 0 N--CA 1.447 -0.632 0 C-N-CA 120.511 -0.852 . . . . 0.0 111.731 179.419 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.544 ' O ' ' HG3' ' A' ' 78' ' ' MET . 0.0 OUTLIER -62.94 -44.96 94.64 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.732 0.266 . . . . 0.0 111.145 -177.508 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 57.8 tptt -60.38 -48.05 83.43 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.133 0.492 . . . . 0.0 110.125 179.625 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . 0.53 ' HG2' HD12 ' A' ' 44' ' ' ILE . 9.7 tp10 -59.01 -50.32 74.55 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.221 -0.899 . . . . 0.0 110.416 178.272 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.533 ' O ' HG12 ' A' ' 81' ' ' ILE . . . -58.84 -41.82 87.83 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.911 -179.733 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . 0.544 ' HG3' ' O ' ' A' ' 74' ' ' LYS . 65.9 mtt -54.06 -49.35 69.19 Favored 'General case' 0 CA--C 1.518 -0.259 0 O-C-N 123.08 0.237 . . . . 0.0 110.688 178.223 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.43 ' O ' ' HG2' ' A' ' 83' ' ' LYS . 47.2 mt-10 -65.09 -41.9 94.57 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.896 -177.916 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.491 HD11 HH11 ' A' ' 45' ' ' ARG . 75.6 mt -62.94 -46.49 96.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.498 177.746 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.533 HG12 ' O ' ' A' ' 77' ' ' ALA . 37.9 mm -62.64 -37.13 78.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.105 -179.495 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . 0.535 ' HG3' ' O ' ' A' ' 78' ' ' MET . 68.6 mttm -61.64 -43.49 98.75 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.882 0.372 . . . . 0.0 110.581 176.85 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . 0.43 ' HG2' ' O ' ' A' ' 79' ' ' GLU . 75.3 mmtt -70.58 -33.11 70.72 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.18 178.619 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . 0.521 ' O ' ' HG ' ' A' ' 88' ' ' LEU . 1.7 t80 -65.38 -51.86 57.52 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.516 -0.765 . . . . 0.0 109.962 178.803 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -59.89 -35.46 74.88 Favored 'General case' 0 C--O 1.233 0.19 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.558 177.921 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 61.7 tttp -63.38 -46.79 84.85 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.726 -0.67 . . . . 0.0 111.087 178.577 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -67.81 -34.35 76.58 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 109.816 -0.439 . . . . 0.0 109.816 -178.641 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.521 ' HG ' ' O ' ' A' ' 84' ' ' PHE . 91.5 mt -62.05 -44.04 97.55 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 115.784 -0.643 . . . . 0.0 110.317 175.127 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -64.2 -37.5 87.69 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.684 178.503 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . 0.66 ' O ' HG13 ' A' ' 94' ' ' ILE . . . -68.3 -51.47 44.47 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.92 178.864 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' MET . . . . . 0.59 ' O ' HG12 ' A' ' 95' ' ' ILE . 23.4 ptp -60.85 -38.0 84.0 Favored 'General case' 0 N--CA 1.462 0.169 0 CA-C-O 120.465 0.174 . . . . 0.0 110.619 -178.781 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.416 HD21 ' HG2' ' B' ' 78' ' ' MET . 17.7 tp -60.42 -46.52 89.71 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-O 121.503 0.668 . . . . 0.0 110.47 175.247 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . 0.427 ' HD3' ' C ' ' A' ' 93' ' ' ARG . 3.6 tmt_? -57.89 -37.57 74.22 Favored 'General case' 0 N--CA 1.444 -0.764 0 CA-C-N 115.287 -0.869 . . . . 0.0 110.198 177.841 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . 0.66 HG13 ' O ' ' A' ' 90' ' ' ALA . 17.1 mt -76.02 -25.96 17.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.729 179.071 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.59 HG12 ' O ' ' A' ' 91' ' ' MET . 29.8 mm -56.97 -42.36 78.83 Favored 'Isoleucine or valine' 0 C--O 1.237 0.423 0 N-CA-C 109.341 -0.615 . . . . 0.0 109.341 172.369 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' ASN . . . . . 0.402 ' HA ' ' HE2' ' B' ' 74' ' ' LYS . 35.2 t30 -64.42 -43.26 94.93 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.313 -0.858 . . . . 0.0 110.153 174.626 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -66.95 -20.84 65.96 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.313 179.151 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . 0.403 ' HG2' ' O ' ' A' ' 94' ' ' ILE . 22.6 mmm180 . . . . . 0 C--N 1.328 -0.345 0 CA-C-O 121.305 0.574 . . . . 0.0 109.975 174.87 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 42' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.442 -0.952 0 N-CA-C 111.077 -0.809 . . . . 0.0 111.077 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' B' B ' 43' ' ' PRO . . . . . 0.531 ' HD2' ' SD ' ' B' ' 46' ' ' MET . 31.6 Cg_exo -60.22 161.45 19.7 Favored 'Trans proline' 0 C--N 1.345 0.344 0 C-N-CA 122.852 2.368 . . . . 0.0 111.662 178.277 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 44' ' ' ILE . . . . . 0.52 HD12 ' HG2' ' B' ' 76' ' ' GLU . 11.4 pt -55.69 -26.14 19.54 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.268 0 N-CA-C 113.398 0.888 . . . . 0.0 113.398 -169.178 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 45' ' ' ARG . . . . . 0.49 HH11 HD11 ' B' ' 80' ' ' ILE . 3.4 mpt_? -61.94 -50.3 72.71 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-O 121.478 0.656 . . . . 0.0 109.523 172.575 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 46' ' ' MET . . . . . 0.531 ' SD ' ' HD2' ' B' ' 43' ' ' PRO . 80.6 mtp -70.6 -29.32 65.7 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.008 -0.997 . . . . 0.0 110.994 -179.368 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 47' ' ' VAL . . . . . . . . . . . . . 97.5 t -62.44 -46.1 97.22 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.117 0 CA-C-O 120.755 0.312 . . . . 0.0 110.46 179.018 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 80.0 mt -68.94 -35.14 76.45 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.778 177.742 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -65.91 -48.85 70.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.391 179.109 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 50' ' ' ILE . . . . . 0.412 ' O ' ' HB3' ' B' ' 53' ' ' PHE . 15.1 tt -71.34 -25.23 24.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 120.865 0.364 . . . . 0.0 110.409 -179.683 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 51' ' ' LEU . . . . . 0.556 HD23 ' SD ' ' A' ' 91' ' ' MET . 11.9 tp -62.41 -55.81 24.23 Favored 'General case' 0 N--CA 1.452 -0.372 0 N-CA-C 109.628 -0.508 . . . . 0.0 109.628 176.113 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -57.42 -37.78 73.33 Favored 'General case' 0 C--O 1.233 0.205 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.579 178.155 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 53' ' ' PHE . . . . . 0.412 ' HB3' ' O ' ' B' ' 50' ' ' ILE . 91.5 t80 -54.08 -55.96 22.56 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.62 -0.718 . . . . 0.0 109.726 173.819 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 54' ' ' LEU . . . . . . . . . . . . . 81.1 mt -69.98 -9.76 56.29 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.852 -178.707 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 55' ' ' ARG . . . . . 0.554 ' HG2' ' O ' ' B' ' 51' ' ' LEU . 27.7 mmm180 -85.73 -36.9 19.89 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.741 0.305 . . . . 0.0 111.162 177.361 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 56' ' ' PHE . . . . . 0.446 ' CZ ' ' HA ' ' A' ' 84' ' ' PHE . 66.5 m-85 -107.31 -11.12 15.63 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.349 -0.387 . . . . 0.0 112.041 -175.821 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 57' ' ' THR . . . . . 0.454 ' HA ' ' HG2' ' A' ' 46' ' ' MET . 27.2 p -108.3 -1.95 19.65 Favored 'General case' 0 C--N 1.325 -0.462 0 C-N-CA 120.456 -0.498 . . . . 0.0 110.591 176.041 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -156.38 177.61 11.26 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.909 -0.587 . . . . 0.0 109.844 -177.088 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 59' ' ' ILE . . . . . 0.471 ' O ' HG22 ' B' ' 59' ' ' ILE . 3.2 mp -122.56 39.66 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-O 122.076 0.941 . . . . 0.0 109.987 179.498 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 54.4 tttp 173.45 118.98 0.09 OUTLIER Pre-proline 0 C--N 1.319 -0.73 0 CA-C-N 114.348 -1.297 . . . . 0.0 110.266 176.448 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 61' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_exo -76.76 135.42 15.93 Favored 'Trans proline' 0 N--CA 1.457 -0.644 0 C-N-CA 122.348 2.032 . . . . 0.0 110.672 168.757 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 62' ' ' SER . . . . . 0.405 ' HB2' HD23 ' B' ' 65' ' ' LEU . 14.6 m -61.01 142.05 56.9 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.217 0.532 . . . . 0.0 110.651 -179.529 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 87.5 mt -58.08 -30.5 66.27 Favored 'General case' 0 CA--C 1.517 -0.302 0 CA-C-N 115.119 -0.946 . . . . 0.0 112.69 -170.625 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -57.74 -45.13 93.76 Favored Glycine 0 C--O 1.238 0.388 0 C-N-CA 120.216 -0.992 . . . . 0.0 111.654 177.175 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 65' ' ' LEU . . . . . 0.415 ' H ' HD22 ' B' ' 65' ' ' LEU . 2.9 mm? -66.59 -40.62 88.98 Favored 'General case' 0 C--O 1.219 -0.525 0 N-CA-C 109.73 -0.47 . . . . 0.0 109.73 177.446 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 66' ' ' ILE . . . . . 0.428 ' O ' ' HB3' ' B' ' 69' ' ' TRP . 41.6 mm -61.83 -42.87 96.21 Favored 'Isoleucine or valine' 0 C--O 1.234 0.27 0 CA-C-O 121.11 0.481 . . . . 0.0 111.201 179.421 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 67' ' ' ASN . . . . . . . . . . . . . 7.3 m120 -61.72 -39.01 90.0 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.487 179.495 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 68' ' ' ARG . . . . . . . . . . . . . 55.5 ttt180 -84.27 -23.67 30.25 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.357 0.599 . . . . 0.0 110.277 179.257 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 69' ' ' TRP . . . . . 0.522 ' NE1' HD11 ' A' ' 95' ' ' ILE . 36.3 t90 -58.53 -46.9 85.83 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.258 -0.883 . . . . 0.0 110.6 177.1 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . -69.48 -11.26 64.74 Favored Glycine 0 N--CA 1.45 -0.417 0 C-N-CA 120.94 -0.648 . . . . 0.0 112.587 178.208 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 71' ' ' SER . . . . . . . . . . . . . 24.8 t -86.63 -20.03 28.44 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 110.143 -0.318 . . . . 0.0 110.143 178.619 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 72' ' ' VAL . . . . . . . . . . . . . 27.9 t -65.94 135.42 28.43 Favored 'Isoleucine or valine' 0 C--O 1.236 0.354 0 N-CA-C 109.26 -0.644 . . . . 0.0 109.26 174.231 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 73' ' ' GLY . . . . . . . . . . . . . . . -80.56 151.84 33.05 Favored Glycine 0 N--CA 1.445 -0.71 0 C-N-CA 120.593 -0.813 . . . . 0.0 111.726 179.39 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 74' ' ' LYS . . . . . 0.531 ' O ' ' HG3' ' B' ' 78' ' ' MET . 0.0 OUTLIER -63.17 -44.87 94.22 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.657 0.228 . . . . 0.0 111.077 -177.441 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 75' ' ' LYS . . . . . . . . . . . . . 57.7 tptt -60.49 -47.59 85.47 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.166 0.508 . . . . 0.0 110.161 179.59 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 76' ' ' GLU . . . . . 0.52 ' HG2' HD12 ' B' ' 44' ' ' ILE . 9.8 tp10 -59.59 -50.06 75.35 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.201 -0.909 . . . . 0.0 110.443 178.345 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 77' ' ' ALA . . . . . 0.534 ' O ' HG12 ' B' ' 81' ' ' ILE . . . -58.95 -41.75 88.16 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.954 -179.849 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 78' ' ' MET . . . . . 0.536 ' O ' ' HG3' ' B' ' 82' ' ' LYS . 65.7 mtt -54.14 -49.25 69.65 Favored 'General case' 0 CA--C 1.518 -0.269 0 CA-C-O 120.725 0.298 . . . . 0.0 110.681 178.259 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 79' ' ' GLU . . . . . 0.435 ' O ' ' HG2' ' B' ' 83' ' ' LYS . 47.9 mt-10 -65.2 -41.89 94.08 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.908 -177.902 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 80' ' ' ILE . . . . . 0.49 HD11 HH11 ' B' ' 45' ' ' ARG . 75.8 mt -62.97 -46.53 96.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.402 177.638 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 81' ' ' ILE . . . . . 0.534 HG12 ' O ' ' B' ' 77' ' ' ALA . 38.6 mm -62.58 -36.87 77.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.253 -179.549 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 82' ' ' LYS . . . . . 0.536 ' HG3' ' O ' ' B' ' 78' ' ' MET . 68.6 mttm -61.86 -43.46 98.8 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.874 0.368 . . . . 0.0 110.533 176.819 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 83' ' ' LYS . . . . . 0.435 ' HG2' ' O ' ' B' ' 79' ' ' GLU . 75.3 mmtt -70.66 -33.24 70.74 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.139 0.495 . . . . 0.0 110.045 178.714 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 84' ' ' PHE . . . . . 0.529 ' O ' ' HG ' ' B' ' 88' ' ' LEU . 1.7 t80 -65.2 -51.76 58.98 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.536 -0.756 . . . . 0.0 110.067 178.885 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 85' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -59.77 -35.56 74.88 Favored 'General case' 0 C--O 1.232 0.176 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.544 177.821 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 86' ' ' LYS . . . . . . . . . . . . . 61.2 tttp -63.32 -47.42 82.3 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.914 178.771 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 87' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -67.22 -33.99 76.53 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.284 -0.416 . . . . 0.0 109.992 -178.607 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 88' ' ' LEU . . . . . 0.529 ' HG ' ' O ' ' B' ' 84' ' ' PHE . 91.9 mt -62.4 -44.1 97.24 Favored 'General case' 0 C--N 1.333 -0.127 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.214 175.107 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -64.38 -37.27 86.93 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.625 178.619 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 90' ' ' ALA . . . . . 0.682 ' O ' HG13 ' B' ' 94' ' ' ILE . . . -68.54 -50.89 48.49 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.805 -0.634 . . . . 0.0 111.006 178.752 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 91' ' ' MET . . . . . 0.583 ' O ' HG12 ' B' ' 95' ' ' ILE . 23.3 ptp -61.49 -37.92 85.42 Favored 'General case' 0 N--CA 1.462 0.168 0 C-N-CA 121.24 -0.184 . . . . 0.0 110.54 -178.665 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 92' ' ' LEU . . . . . . . . . . . . . 17.5 tp -60.27 -46.53 89.52 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-O 121.409 0.623 . . . . 0.0 110.432 175.186 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 93' ' ' ARG . . . . . 0.446 ' HD3' ' O ' ' B' ' 93' ' ' ARG . 3.6 tmt_? -57.93 -37.49 74.17 Favored 'General case' 0 N--CA 1.444 -0.742 0 CA-C-N 115.315 -0.857 . . . . 0.0 110.164 177.889 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 94' ' ' ILE . . . . . 0.682 HG13 ' O ' ' B' ' 90' ' ' ALA . 17.5 mt -76.0 -26.17 17.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.697 179.054 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 95' ' ' ILE . . . . . 0.583 HG12 ' O ' ' B' ' 91' ' ' MET . 29.7 mm -56.81 -42.55 77.98 Favored 'Isoleucine or valine' 0 C--O 1.237 0.419 0 CA-C-O 121.429 0.633 . . . . 0.0 109.35 172.542 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 96' ' ' ASN . . . . . . . . . . . . . 34.2 t30 -64.37 -43.21 95.24 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.186 -0.915 . . . . 0.0 110.138 174.746 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 97' ' ' ALA . . . . . . . . . . . . . . . -67.19 -20.34 65.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.318 179.037 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 98' ' ' ARG . . . . . 0.403 ' HG2' ' O ' ' B' ' 94' ' ' ILE . 22.7 mmm180 . . . . . 0 C--N 1.327 -0.4 0 CA-C-O 121.216 0.531 . . . . 0.0 110.006 174.794 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.446 -0.647 0 N-CA-C 112.325 -0.31 . . . . 0.0 112.325 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.674 ' HD2' ' SD ' ' A' ' 46' ' ' MET . 39.3 Cg_endo -67.79 170.25 14.44 Favored 'Trans proline' 0 C--O 1.232 0.218 0 C-N-CA 122.693 2.262 . . . . 0.0 112.108 176.553 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 24.4 pt -52.02 -40.79 30.13 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.358 0 N-CA-C 113.047 0.758 . . . . 0.0 113.047 -171.708 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 17.6 ptt180 -59.76 -46.68 88.41 Favored 'General case' 0 C--O 1.232 0.173 0 CA-C-O 121.163 0.506 . . . . 0.0 110.962 178.933 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . 0.674 ' SD ' ' HD2' ' A' ' 43' ' ' PRO . 59.3 mtt -65.1 -32.46 74.17 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.621 -0.718 . . . . 0.0 111.222 178.62 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.451 HG23 ' O ' ' A' ' 43' ' ' PRO . 97.6 t -58.05 -48.75 83.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.721 0.296 . . . . 0.0 110.533 177.897 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 86.6 mt -63.52 -37.12 86.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.788 178.395 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -65.97 -47.55 74.21 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.251 178.127 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.532 HG13 ' O ' ' A' ' 46' ' ' MET . 70.0 mt -64.74 -31.58 54.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.337 179.342 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.468 HD22 ' NE1' ' A' ' 69' ' ' TRP . 13.2 tp -60.87 -55.75 29.37 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.179 176.867 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -58.17 -40.35 81.23 Favored 'General case' 0 CA--C 1.52 -0.188 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.318 178.272 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 91.6 t80 -54.1 -57.07 12.48 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.42 -0.809 . . . . 0.0 109.919 174.325 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.41 HD13 ' H ' ' A' ' 62' ' ' SER . 96.8 mt -70.36 -5.21 26.53 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 112.101 0.408 . . . . 0.0 112.101 -177.913 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.416 ' HG2' ' O ' ' A' ' 51' ' ' LEU . 32.8 mmt180 -89.87 -46.48 8.53 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.955 0.407 . . . . 0.0 111.265 174.241 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 76.8 m-85 -93.29 -14.19 27.28 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.685 -175.646 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . 0.557 ' HA ' ' HG2' ' B' ' 46' ' ' MET . 17.0 p -112.36 -12.66 13.52 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 120.515 -0.474 . . . . 0.0 111.469 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -139.32 164.18 30.52 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 120.936 0.398 . . . . 0.0 110.893 -174.242 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 66.5 mt -91.02 -25.88 5.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-O 121.763 0.792 . . . . 0.0 110.942 -175.852 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 85.6 tttt -145.62 121.55 5.83 Favored Pre-proline 0 C--N 1.305 -1.353 0 CA-C-N 114.786 -1.097 . . . . 0.0 110.952 -178.598 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 15.3 Cg_exo -69.9 139.32 39.47 Favored 'Trans proline' 0 C--O 1.235 0.34 0 C-N-CA 122.481 2.121 . . . . 0.0 111.363 172.864 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . 0.41 ' H ' HD13 ' A' ' 54' ' ' LEU . 29.4 t -64.81 143.34 58.01 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.148 0.499 . . . . 0.0 110.54 -179.046 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 86.0 mt -66.77 -16.35 64.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.447 -0.797 . . . . 0.0 111.889 -172.681 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -66.27 -43.6 92.55 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.584 -0.817 . . . . 0.0 111.44 174.662 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -69.3 -38.55 78.33 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 109.648 -0.501 . . . . 0.0 109.648 176.754 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 48.9 mm -62.03 -38.46 80.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.772 177.719 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 4.1 t-20 -66.27 -40.3 90.03 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.806 179.307 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 24.0 ttm180 -86.39 -10.29 54.62 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.208 0.527 . . . . 0.0 110.287 -177.191 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' TRP . . . . . 0.55 ' NE1' HD11 ' B' ' 95' ' ' ILE . 12.3 t90 -60.98 -49.42 77.51 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.316 -0.856 . . . . 0.0 110.613 -179.762 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -77.68 -6.48 86.95 Favored Glycine 0 C--N 1.329 0.188 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.131 178.15 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 32.2 t -81.75 -21.68 37.72 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 109.325 -0.62 . . . . 0.0 109.325 176.579 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 60.6 t -64.9 127.33 25.59 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.355 0 CA-C-N 115.79 -0.641 . . . . 0.0 109.372 175.318 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -63.05 121.45 24.74 Favored Glycine 0 N--CA 1.444 -0.789 0 C-N-CA 120.429 -0.891 . . . . 0.0 111.078 177.708 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.562 ' O ' ' HG3' ' A' ' 78' ' ' MET . 2.0 ptpp? -58.92 -27.03 64.89 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.708 0.254 . . . . 0.0 111.382 -176.3 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.514 ' HD3' ' C ' ' A' ' 75' ' ' LYS . 8.0 tmtm? -63.96 -60.65 2.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.445 0.64 . . . . 0.0 109.428 173.363 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 7.0 tp10 -53.9 -39.36 65.7 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 114.749 -1.114 . . . . 0.0 110.866 176.487 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.528 ' O ' HG12 ' A' ' 81' ' ' ILE . . . -56.35 -44.23 79.87 Favored 'General case' 0 N--CA 1.453 -0.3 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.663 177.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . 0.562 ' HG3' ' O ' ' A' ' 74' ' ' LYS . 62.7 mtt -58.43 -45.19 88.96 Favored 'General case' 0 CA--C 1.519 -0.238 0 N-CA-C 110.144 -0.317 . . . . 0.0 110.144 177.013 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 23.9 mm-40 -59.09 -49.39 78.07 Favored 'General case' 0 C--O 1.236 0.393 0 CA-C-O 121.429 0.633 . . . . 0.0 110.492 179.644 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 80.3 mt -63.06 -48.37 88.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 115.2 -0.909 . . . . 0.0 111.122 -179.218 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.528 HG12 ' O ' ' A' ' 77' ' ' ALA . 37.1 mm -60.33 -38.08 76.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.523 -0.308 . . . . 0.0 111.282 -177.857 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . 0.561 ' HG3' ' O ' ' A' ' 78' ' ' MET . 68.5 mttm -62.54 -45.36 93.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.776 0.322 . . . . 0.0 110.737 178.078 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 74.7 mmtt -72.27 -29.85 64.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.636 179.055 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . 0.508 ' O ' ' HG ' ' A' ' 88' ' ' LEU . 0.9 OUTLIER -63.94 -52.39 60.0 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.828 -0.624 . . . . 0.0 109.693 177.759 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -61.39 -35.85 78.65 Favored 'General case' 0 C--O 1.232 0.175 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.647 177.854 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 24.1 tptm -61.77 -46.32 90.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.67 178.367 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . 0.578 ' O ' ' HG3' ' A' ' 91' ' ' MET . 6.7 t70 -70.65 -35.35 72.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.259 -178.652 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.508 ' HG ' ' O ' ' A' ' 84' ' ' PHE . 91.4 mt -60.22 -43.33 96.11 Favored 'General case' 0 N--CA 1.463 0.217 0 CA-C-O 121.092 0.472 . . . . 0.0 110.538 176.328 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -63.26 -35.86 81.73 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.683 -0.69 . . . . 0.0 110.269 177.78 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . 0.463 ' O ' HG13 ' A' ' 94' ' ' ILE . . . -69.58 -41.11 76.24 Favored 'General case' 0 N--CA 1.45 -0.429 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.414 176.404 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' MET . . . . . 0.661 ' O ' HG12 ' A' ' 95' ' ' ILE . 67.4 mtt -53.38 -56.63 15.15 Favored 'General case' 0 CA--C 1.516 -0.336 0 N-CA-C 110.012 -0.366 . . . . 0.0 110.012 177.672 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.484 HD21 ' HG2' ' B' ' 78' ' ' MET . 47.4 tp -53.43 -48.07 69.07 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.347 -0.842 . . . . 0.0 111.264 179.422 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 43.1 ttt180 -57.29 -38.59 74.2 Favored 'General case' 0 N--CA 1.448 -0.562 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.919 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . 0.623 ' O ' ' HG2' ' A' ' 98' ' ' ARG . 75.7 mt -76.59 -31.92 20.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.053 179.19 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.661 HG12 ' O ' ' A' ' 91' ' ' MET . 29.5 mm -58.89 -36.74 63.02 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.27 0 CA-C-O 121.252 0.548 . . . . 0.0 109.803 176.092 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 14.5 m120 -71.02 -39.7 72.22 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.532 175.407 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -59.61 -38.45 81.31 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.446 0.641 . . . . 0.0 110.355 177.255 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . 0.623 ' HG2' ' O ' ' A' ' 94' ' ' ILE . 12.7 ptm180 . . . . . 0 C--N 1.319 -0.729 0 CA-C-N 115.238 -0.892 . . . . 0.0 108.611 178.462 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 42' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.445 -0.731 0 N-CA-C 112.233 -0.347 . . . . 0.0 112.233 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' B' B ' 43' ' ' PRO . . . . . 0.665 ' HD2' ' SD ' ' B' ' 46' ' ' MET . 39.7 Cg_endo -67.73 170.13 14.6 Favored 'Trans proline' 0 C--O 1.233 0.258 0 C-N-CA 122.673 2.248 . . . . 0.0 112.032 176.614 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 44' ' ' ILE . . . . . 0.407 ' HB ' HG13 ' B' ' 72' ' ' VAL . 23.8 pt -51.87 -40.77 28.73 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.403 0 N-CA-C 113.085 0.772 . . . . 0.0 113.085 -171.59 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 17.8 ptt180 -59.8 -46.78 88.15 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-O 121.195 0.522 . . . . 0.0 110.922 178.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 46' ' ' MET . . . . . 0.665 ' SD ' ' HD2' ' B' ' 43' ' ' PRO . 59.0 mtt -65.09 -32.36 74.03 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.629 -0.714 . . . . 0.0 111.151 178.694 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 47' ' ' VAL . . . . . 0.44 HG23 ' O ' ' B' ' 43' ' ' PRO . 97.3 t -57.99 -48.82 83.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.74 0.305 . . . . 0.0 110.554 177.91 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 86.2 mt -63.41 -37.35 86.95 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.716 178.484 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -65.77 -47.59 74.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.224 178.25 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 50' ' ' ILE . . . . . 0.536 HG13 ' O ' ' B' ' 46' ' ' MET . 69.7 mt -64.78 -31.57 54.37 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.309 179.323 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 51' ' ' LEU . . . . . 0.464 HD22 ' NE1' ' B' ' 69' ' ' TRP . 13.1 tp -60.9 -55.69 30.03 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.257 176.813 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -58.1 -40.36 80.98 Favored 'General case' 0 CA--C 1.52 -0.208 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.377 178.204 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 53' ' ' PHE . . . . . . . . . . . . . 92.0 t80 -54.08 -56.96 13.13 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.331 -0.85 . . . . 0.0 109.968 174.284 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 54' ' ' LEU . . . . . 0.404 HD13 ' H ' ' B' ' 62' ' ' SER . 97.2 mt -70.55 -4.99 25.77 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 112.05 0.389 . . . . 0.0 112.05 -177.913 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 55' ' ' ARG . . . . . 0.41 ' HG2' ' O ' ' B' ' 51' ' ' LEU . 33.0 mmt180 -90.12 -46.32 8.54 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.97 0.414 . . . . 0.0 111.298 174.333 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 56' ' ' PHE . . . . . . . . . . . . . 77.0 m-85 -93.32 -14.32 27.08 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.735 -175.815 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 57' ' ' THR . . . . . 0.562 ' HA ' ' HG2' ' A' ' 46' ' ' MET . 16.6 p -112.42 -12.27 13.54 Favored 'General case' 0 C--N 1.33 -0.283 0 C-N-CA 120.505 -0.478 . . . . 0.0 111.498 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -139.48 164.79 28.95 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 120.868 0.366 . . . . 0.0 110.688 -174.394 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 59' ' ' ILE . . . . . . . . . . . . . 67.1 mt -91.87 -25.41 5.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-O 121.667 0.746 . . . . 0.0 110.967 -175.782 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 85.6 tttt -145.98 121.66 5.68 Favored Pre-proline 0 C--N 1.307 -1.27 0 CA-C-N 114.717 -1.128 . . . . 0.0 110.898 -178.851 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 61' ' ' PRO . . . . . . . . . . . . . 15.1 Cg_exo -69.89 139.27 39.36 Favored 'Trans proline' 0 N--CA 1.463 -0.31 0 C-N-CA 122.607 2.205 . . . . 0.0 111.441 172.716 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 62' ' ' SER . . . . . 0.404 ' H ' HD13 ' B' ' 54' ' ' LEU . 31.5 t -64.93 143.2 58.11 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.159 0.504 . . . . 0.0 110.57 -179.076 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 86.4 mt -66.46 -16.4 64.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.383 -0.826 . . . . 0.0 111.94 -172.776 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -66.37 -43.59 92.35 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.486 -0.864 . . . . 0.0 111.327 174.858 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -69.12 -38.77 79.05 Favored 'General case' 0 N--CA 1.452 -0.33 0 N-CA-C 109.659 -0.497 . . . . 0.0 109.659 176.78 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 66' ' ' ILE . . . . . . . . . . . . . 49.0 mm -61.81 -38.59 80.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.647 177.652 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 67' ' ' ASN . . . . . . . . . . . . . 4.2 t-20 -66.22 -40.18 90.13 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.037 -0.528 . . . . 0.0 110.799 179.459 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 68' ' ' ARG . . . . . . . . . . . . . 23.9 ttm180 -86.51 -10.28 54.43 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.255 0.55 . . . . 0.0 110.358 -177.179 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 69' ' ' TRP . . . . . 0.519 ' NE1' HD11 ' A' ' 95' ' ' ILE . 12.3 t90 -61.01 -49.5 77.16 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.265 -0.88 . . . . 0.0 110.573 -179.745 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . -77.31 -7.19 86.9 Favored Glycine 0 C--N 1.33 0.195 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.021 178.345 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 71' ' ' SER . . . . . . . . . . . . . 31.8 t -81.34 -21.76 38.92 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 109.37 -0.604 . . . . 0.0 109.37 176.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 72' ' ' VAL . . . . . 0.407 HG13 ' HB ' ' B' ' 44' ' ' ILE . 59.9 t -64.9 127.34 25.59 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.356 0 CA-C-N 115.842 -0.617 . . . . 0.0 109.408 175.34 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 73' ' ' GLY . . . . . . . . . . . . . . . -63.02 121.41 24.67 Favored Glycine 0 N--CA 1.446 -0.699 0 C-N-CA 120.336 -0.935 . . . . 0.0 111.024 177.831 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 74' ' ' LYS . . . . . 0.575 ' O ' ' HG3' ' B' ' 78' ' ' MET . 2.0 ptpp? -58.87 -26.84 64.61 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.624 0.212 . . . . 0.0 111.436 -176.495 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 75' ' ' LYS . . . . . 0.531 ' HD3' ' C ' ' B' ' 75' ' ' LYS . 8.0 tmtm? -64.36 -60.64 2.93 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 173.515 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 76' ' ' GLU . . . . . 0.401 ' O ' HG13 ' B' ' 80' ' ' ILE . 7.0 tp10 -53.62 -39.38 64.9 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 114.815 -1.084 . . . . 0.0 110.984 176.333 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 77' ' ' ALA . . . . . 0.515 ' O ' HG12 ' B' ' 81' ' ' ILE . . . -56.37 -44.4 80.11 Favored 'General case' 0 N--CA 1.454 -0.261 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.616 177.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 78' ' ' MET . . . . . 0.575 ' HG3' ' O ' ' B' ' 74' ' ' LYS . 62.9 mtt -58.39 -45.17 88.86 Favored 'General case' 0 CA--C 1.518 -0.251 0 N-CA-C 110.091 -0.337 . . . . 0.0 110.091 177.072 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 79' ' ' GLU . . . . . . . . . . . . . 22.9 mm-40 -58.98 -49.36 78.18 Favored 'General case' 0 C--O 1.236 0.367 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.494 179.616 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 80' ' ' ILE . . . . . 0.401 HG13 ' O ' ' B' ' 76' ' ' GLU . 80.4 mt -63.26 -48.31 88.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 115.207 -0.906 . . . . 0.0 111.049 -179.153 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 81' ' ' ILE . . . . . 0.515 HG12 ' O ' ' B' ' 77' ' ' ALA . 37.1 mm -60.26 -38.24 76.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.554 -0.294 . . . . 0.0 111.297 -177.925 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 82' ' ' LYS . . . . . 0.565 ' HG3' ' O ' ' B' ' 78' ' ' MET . 68.5 mttm -62.28 -45.94 91.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.75 0.31 . . . . 0.0 110.645 177.869 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 83' ' ' LYS . . . . . . . . . . . . . 74.7 mmtt -71.83 -29.82 64.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.339 -0.392 . . . . 0.0 110.695 179.3 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 84' ' ' PHE . . . . . 0.509 ' O ' ' HG ' ' B' ' 88' ' ' LEU . 0.9 OUTLIER -63.98 -52.56 59.07 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.899 -0.591 . . . . 0.0 109.58 177.711 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 85' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -61.34 -35.85 78.56 Favored 'General case' 0 C--O 1.233 0.234 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.578 178.032 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 86' ' ' LYS . . . . . . . . . . . . . 24.1 tptm -61.9 -45.81 92.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.656 178.36 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 87' ' ' ASP . . . . . 0.574 ' O ' ' HG3' ' B' ' 91' ' ' MET . 6.7 t70 -70.99 -35.38 72.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.269 -178.791 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 88' ' ' LEU . . . . . 0.509 ' HG ' ' O ' ' B' ' 84' ' ' PHE . 90.8 mt -60.31 -43.18 96.56 Favored 'General case' 0 N--CA 1.463 0.201 0 CA-C-O 121.167 0.508 . . . . 0.0 110.502 176.51 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -63.51 -35.53 80.76 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.408 177.697 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 90' ' ' ALA . . . . . 0.473 ' O ' HG13 ' B' ' 94' ' ' ILE . . . -69.71 -41.42 75.38 Favored 'General case' 0 N--CA 1.451 -0.402 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.317 176.409 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 91' ' ' MET . . . . . 0.658 ' O ' HG12 ' B' ' 95' ' ' ILE . 67.4 mtt -53.05 -56.79 13.51 Favored 'General case' 0 CA--C 1.516 -0.328 0 CA-C-N 116.295 -0.411 . . . . 0.0 109.993 177.717 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 92' ' ' LEU . . . . . 0.44 HD21 ' HG2' ' A' ' 78' ' ' MET . 47.6 tp -53.38 -48.0 69.0 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.332 -0.849 . . . . 0.0 111.248 179.465 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 93' ' ' ARG . . . . . 0.402 HH11 ' HD3' ' B' ' 93' ' ' ARG . 43.0 ttt180 -57.63 -38.32 74.82 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.826 -179.848 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 94' ' ' ILE . . . . . 0.636 ' O ' ' HG2' ' B' ' 98' ' ' ARG . 75.8 mt -76.57 -31.96 20.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 116.002 -0.544 . . . . 0.0 111.038 179.065 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 95' ' ' ILE . . . . . 0.658 HG12 ' O ' ' B' ' 91' ' ' MET . 30.2 mm -58.86 -36.67 62.44 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.301 0 CA-C-O 121.198 0.523 . . . . 0.0 109.715 176.054 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 96' ' ' ASN . . . . . . . . . . . . . 14.7 m120 -71.46 -39.0 71.24 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.601 175.568 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 97' ' ' ALA . . . . . . . . . . . . . . . -59.94 -38.47 82.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.306 0.574 . . . . 0.0 110.413 177.014 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 98' ' ' ARG . . . . . 0.636 ' HG2' ' O ' ' B' ' 94' ' ' ILE . 12.7 ptm180 . . . . . 0 C--N 1.32 -0.682 0 N-CA-C 108.605 -0.887 . . . . 0.0 108.605 178.596 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.446 -0.688 0 N-CA-C 112.024 -0.43 . . . . 0.0 112.024 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.446 ' HD2' ' SD ' ' A' ' 46' ' ' MET . 28.5 Cg_endo -63.6 157.33 51.92 Favored 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.74 2.293 . . . . 0.0 111.605 178.027 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.421 ' HA ' ' CG2' ' A' ' 47' ' ' VAL . 10.5 pt -57.86 -27.08 29.87 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 115.114 -0.948 . . . . 0.0 113.295 -170.536 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . 0.442 ' HA ' HD13 ' A' ' 80' ' ' ILE . 9.9 ptt180 -65.28 -44.93 86.43 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.146 0.498 . . . . 0.0 110.426 174.09 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . 0.569 ' O ' HG13 ' A' ' 50' ' ' ILE . 64.2 mtt -66.4 -31.19 71.8 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.747 176.411 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.421 ' CG2' ' HA ' ' A' ' 44' ' ' ILE . 91.4 t -57.61 -49.61 79.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.804 0.335 . . . . 0.0 110.422 177.329 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 11.2 mp -67.36 -30.67 70.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.033 177.807 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -65.13 -48.38 73.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.803 0.335 . . . . 0.0 110.853 176.761 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.569 HG13 ' O ' ' A' ' 46' ' ' MET . 53.8 mt -66.36 -35.79 75.79 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.141 -0.481 . . . . 0.0 109.96 178.257 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 11.7 tp -59.21 -54.31 48.31 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.668 -0.696 . . . . 0.0 110.718 177.243 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.426 ' O ' ' HD1' ' A' ' 56' ' ' PHE . . . -60.08 -43.6 95.39 Favored 'General case' 0 CA--C 1.518 -0.278 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.224 178.936 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.42 ' HB2' ' HB2' ' B' ' 53' ' ' PHE . 36.7 t80 -48.78 -64.26 0.85 Allowed 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.497 -0.774 . . . . 0.0 110.726 175.509 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.419 ' CD1' ' HA ' ' A' ' 61' ' ' PRO . 93.2 mt -58.94 -42.4 89.72 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.598 -177.042 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 24.7 mmt180 -65.68 -49.66 67.77 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 112.204 0.446 . . . . 0.0 112.204 -178.274 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . 0.471 ' CZ ' ' HA ' ' B' ' 84' ' ' PHE . 76.5 m-85 -76.67 -7.07 54.57 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.741 0.305 . . . . 0.0 111.257 -177.696 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . 0.473 ' HA ' ' HG2' ' B' ' 46' ' ' MET . 77.3 p -105.42 9.62 33.6 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.018 0.437 . . . . 0.0 110.816 174.026 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . 60.9 34.91 19.41 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-N 115.486 -0.779 . . . . 0.0 112.399 175.908 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 58.3 mt -109.94 145.0 17.05 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 N-CA-C 109.385 -0.598 . . . . 0.0 109.385 172.707 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -59.49 126.26 81.89 Favored Pre-proline 0 N--CA 1.453 -0.297 0 N-CA-C 109.218 -0.66 . . . . 0.0 109.218 174.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . 0.508 ' O ' ' HB2' ' A' ' 65' ' ' LEU . 43.0 Cg_endo -66.9 -2.61 8.08 Favored 'Trans proline' 0 CA--C 1.529 0.242 0 C-N-CA 122.808 2.339 . . . . 0.0 113.816 -173.369 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . 0.5 ' O ' HG12 ' A' ' 66' ' ' ILE . 43.0 t 70.95 142.72 0.05 Allowed 'General case' 0 N--CA 1.463 0.178 0 CA-C-O 121.724 0.773 . . . . 0.0 111.451 177.655 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 87.3 mt -67.59 -18.21 64.91 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.331 -0.849 . . . . 0.0 110.955 -178.682 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -70.0 -48.68 38.9 Favored Glycine 0 N--CA 1.449 -0.446 0 C-N-CA 120.865 -0.683 . . . . 0.0 111.884 177.092 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.508 ' HB2' ' O ' ' A' ' 61' ' ' PRO . 4.2 mm? -65.76 -37.83 87.4 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 110.053 -0.351 . . . . 0.0 110.053 177.904 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.5 HG12 ' O ' ' A' ' 62' ' ' SER . 50.0 mm -64.95 -33.96 67.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.616 177.647 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 10.7 t30 -65.17 -39.64 93.21 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.756 178.255 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . 0.504 ' O ' HG23 ' A' ' 72' ' ' VAL . 54.1 mtt180 -82.51 -22.71 34.95 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.503 178.186 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' TRP . . . . . 0.532 ' NE1' HD11 ' B' ' 95' ' ' ILE . 10.5 t90 -56.43 -52.07 66.04 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.468 -0.787 . . . . 0.0 111.105 -178.446 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -76.53 -10.88 85.59 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.858 -0.687 . . . . 0.0 112.475 177.64 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 43.0 t -82.75 -22.17 34.44 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.739 0.304 . . . . 0.0 110.251 179.017 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.504 HG23 ' O ' ' A' ' 68' ' ' ARG . 48.6 t -61.71 136.42 25.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.063 177.783 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -57.42 130.83 51.57 Favored Glycine 0 N--CA 1.443 -0.849 0 N-CA-C 110.591 -1.003 . . . . 0.0 110.591 174.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.428 ' HD2' ' O ' ' B' ' 95' ' ' ILE . 30.6 mmtm -66.82 -28.23 68.2 Favored 'General case' 0 C--N 1.319 -0.724 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 -173.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 58.2 tptt -73.34 -47.92 38.53 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.15 -0.932 . . . . 0.0 109.977 172.912 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . 0.466 ' O ' HG13 ' A' ' 80' ' ' ILE . 19.1 tp10 -59.84 -41.35 91.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.353 -0.839 . . . . 0.0 110.588 -179.198 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.407 ' O ' HG12 ' A' ' 81' ' ' ILE . . . -56.51 -42.23 78.03 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.782 179.233 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 66.1 mtt -62.8 -39.6 94.77 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.181 178.615 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 -68.92 -40.58 78.98 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.695 179.074 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.466 HG13 ' O ' ' A' ' 76' ' ' GLU . 87.8 mt -62.07 -47.68 92.02 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.504 177.61 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.467 HG13 ' HB2' ' B' ' 92' ' ' LEU . 43.9 mm -64.09 -38.53 82.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.178 -179.555 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . 0.402 ' HD2' ' C ' ' A' ' 82' ' ' LYS . 2.6 tmmm? -61.18 -49.49 76.96 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 109.44 -0.578 . . . . 0.0 109.44 177.135 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -64.42 -36.87 85.58 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.46 -0.791 . . . . 0.0 110.586 179.626 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . 0.541 ' O ' ' HG ' ' A' ' 88' ' ' LEU . 1.6 t80 -60.53 -53.01 62.68 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.045 178.563 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -61.24 -37.34 82.73 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.053 179.717 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 26.6 tttm -57.45 -57.47 12.51 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.896 178.343 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . 0.583 ' O ' ' HG2' ' A' ' 91' ' ' MET . 0.6 OUTLIER -66.78 -30.11 70.23 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.854 -0.612 . . . . 0.0 111.289 -177.565 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.541 ' HG ' ' O ' ' A' ' 84' ' ' PHE . 62.4 mt -60.93 -43.32 98.81 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.817 0.342 . . . . 0.0 110.339 174.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -63.47 -37.2 86.38 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.657 179.243 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . 0.554 ' O ' HG13 ' A' ' 94' ' ' ILE . . . -65.89 -49.97 66.18 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.751 177.825 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' MET . . . . . 0.583 ' HG2' ' O ' ' A' ' 87' ' ' ASP . 93.8 mmm -60.82 -37.95 83.74 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.356 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.444 ' HB2' HG13 ' B' ' 81' ' ' ILE . 54.6 tp -59.81 -45.46 92.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.684 -0.689 . . . . 0.0 111.089 177.523 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 72.3 ttt180 -64.59 -30.28 71.3 Favored 'General case' 0 N--CA 1.443 -0.779 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.555 -178.338 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . 0.554 HG13 ' O ' ' A' ' 90' ' ' ALA . 22.1 mt -71.18 -35.47 58.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 C-N-CA 121.01 -0.276 . . . . 0.0 110.445 176.345 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.55 HD11 ' NE1' ' B' ' 69' ' ' TRP . 13.4 mm -53.88 -48.55 62.51 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.343 0 CA-C-O 121.508 0.67 . . . . 0.0 109.335 173.589 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 3.9 t-20 -74.36 -23.26 58.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.317 -0.856 . . . . 0.0 111.211 -177.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -66.72 -38.15 86.14 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.319 0.581 . . . . 0.0 109.898 175.184 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . 0.513 ' HG2' ' O ' ' A' ' 94' ' ' ILE . 15.0 ptm180 . . . . . 0 C--N 1.324 -0.527 0 CA-C-N 115.378 -0.828 . . . . 0.0 109.435 177.662 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 42' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.446 -0.697 0 N-CA-C 112.042 -0.423 . . . . 0.0 112.042 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' B' B ' 43' ' ' PRO . . . . . 0.441 ' HD2' ' SD ' ' B' ' 46' ' ' MET . 28.5 Cg_endo -63.38 157.25 51.47 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.779 2.319 . . . . 0.0 111.681 177.83 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 44' ' ' ILE . . . . . 0.422 ' HA ' ' CG2' ' B' ' 47' ' ' VAL . 10.5 pt -57.91 -27.15 30.22 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 115.083 -0.962 . . . . 0.0 113.178 -170.502 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 45' ' ' ARG . . . . . 0.433 ' HA ' HD13 ' B' ' 80' ' ' ILE . 9.9 ptt180 -65.34 -44.84 86.45 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.121 0.486 . . . . 0.0 110.423 174.142 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 46' ' ' MET . . . . . 0.548 ' O ' HG13 ' B' ' 50' ' ' ILE . 64.4 mtt -66.36 -31.18 71.8 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.75 176.372 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 47' ' ' VAL . . . . . 0.422 ' CG2' ' HA ' ' B' ' 44' ' ' ILE . 93.2 t -57.67 -49.66 79.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.692 0.282 . . . . 0.0 110.421 177.443 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 11.2 mp -67.25 -30.75 70.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.067 177.791 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -65.17 -48.33 73.88 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.529 -0.305 . . . . 0.0 110.821 176.848 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 50' ' ' ILE . . . . . 0.548 HG13 ' O ' ' B' ' 46' ' ' MET . 53.9 mt -66.23 -35.9 76.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-O 121.104 0.478 . . . . 0.0 110.037 178.099 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 11.7 tp -59.15 -54.38 47.57 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.724 177.208 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 52' ' ' ALA . . . . . 0.42 ' O ' ' HD1' ' B' ' 56' ' ' PHE . . . -60.06 -43.58 95.31 Favored 'General case' 0 CA--C 1.518 -0.28 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.26 178.93 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 53' ' ' PHE . . . . . 0.42 ' HB2' ' HB2' ' A' ' 53' ' ' PHE . 36.6 t80 -48.79 -64.39 0.82 Allowed 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.39 -0.823 . . . . 0.0 110.692 175.57 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 54' ' ' LEU . . . . . 0.425 ' CD1' ' HA ' ' B' ' 61' ' ' PRO . 93.5 mt -58.77 -42.51 89.15 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.565 -177.106 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 55' ' ' ARG . . . . . 0.402 ' HD3' ' HA ' ' B' ' 55' ' ' ARG . 24.8 mmt180 -65.7 -49.08 69.84 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 112.395 0.516 . . . . 0.0 112.395 -178.169 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 56' ' ' PHE . . . . . 0.432 ' CZ ' ' HA ' ' A' ' 84' ' ' PHE . 76.3 m-85 -77.17 -6.84 54.49 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.778 0.323 . . . . 0.0 111.305 -177.939 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 57' ' ' THR . . . . . 0.461 ' HA ' ' HG2' ' A' ' 46' ' ' MET . 77.9 p -105.86 9.76 32.72 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.05 0.452 . . . . 0.0 110.88 174.033 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . 61.06 34.85 19.03 Favored 'General case' 0 C--O 1.236 0.367 0 CA-C-N 115.414 -0.812 . . . . 0.0 112.403 175.776 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 59' ' ' ILE . . . . . . . . . . . . . 57.4 mt -110.24 144.39 18.43 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 N-CA-C 109.543 -0.54 . . . . 0.0 109.543 172.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -59.3 126.09 80.91 Favored Pre-proline 0 C--N 1.33 -0.278 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 175.257 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 61' ' ' PRO . . . . . 0.515 ' O ' ' HB2' ' B' ' 65' ' ' LEU . 42.4 Cg_endo -66.83 -2.62 8.02 Favored 'Trans proline' 0 CA--C 1.529 0.246 0 C-N-CA 122.854 2.369 . . . . 0.0 113.857 -173.036 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 62' ' ' SER . . . . . 0.483 ' O ' HG12 ' B' ' 66' ' ' ILE . 44.7 t 71.19 142.09 0.05 Allowed 'General case' 0 N--CA 1.463 0.212 0 CA-C-O 121.658 0.742 . . . . 0.0 111.4 177.368 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 87.2 mt -67.23 -17.89 65.0 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.488 -0.778 . . . . 0.0 111.034 -178.778 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -70.12 -48.76 37.54 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.822 -0.704 . . . . 0.0 111.772 176.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 65' ' ' LEU . . . . . 0.515 ' HB2' ' O ' ' B' ' 61' ' ' PRO . 4.2 mm? -65.71 -37.95 87.85 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 110.081 -0.34 . . . . 0.0 110.081 177.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 66' ' ' ILE . . . . . 0.483 HG12 ' O ' ' B' ' 62' ' ' SER . 50.0 mm -64.84 -33.96 67.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-O 121.169 0.509 . . . . 0.0 110.757 177.602 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 67' ' ' ASN . . . . . . . . . . . . . 10.7 t30 -65.0 -39.73 93.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.769 178.115 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 68' ' ' ARG . . . . . 0.501 ' O ' HG23 ' B' ' 72' ' ' VAL . 54.6 mtt-85 -82.65 -22.67 34.57 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.459 178.398 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 69' ' ' TRP . . . . . 0.55 ' NE1' HD11 ' A' ' 95' ' ' ILE . 10.6 t90 -56.42 -52.36 64.94 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.431 -0.804 . . . . 0.0 111.067 -178.526 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . -76.09 -11.18 85.03 Favored Glycine 0 N--CA 1.45 -0.411 0 C-N-CA 120.862 -0.685 . . . . 0.0 112.5 177.558 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 71' ' ' SER . . . . . . . . . . . . . 43.9 t -82.65 -21.81 34.87 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.671 0.272 . . . . 0.0 110.271 179.039 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 72' ' ' VAL . . . . . 0.501 HG23 ' O ' ' B' ' 68' ' ' ARG . 48.4 t -61.95 136.32 25.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.018 177.715 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 73' ' ' GLY . . . . . . . . . . . . . . . -57.39 131.17 51.92 Favored Glycine 0 N--CA 1.444 -0.811 0 N-CA-C 110.585 -1.006 . . . . 0.0 110.585 174.912 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 74' ' ' LYS . . . . . . . . . . . . . 30.7 mmtm -67.13 -27.77 67.59 Favored 'General case' 0 C--N 1.32 -0.711 0 N-CA-C 109.387 -0.597 . . . . 0.0 109.387 -173.914 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 75' ' ' LYS . . . . . . . . . . . . . 58.2 tptt -73.92 -48.07 33.28 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.17 -0.923 . . . . 0.0 109.822 173.127 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 76' ' ' GLU . . . . . 0.487 ' O ' HG13 ' B' ' 80' ' ' ILE . 19.6 tp10 -59.68 -41.15 90.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.314 -0.857 . . . . 0.0 110.652 -179.378 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 77' ' ' ALA . . . . . 0.411 ' O ' HG12 ' B' ' 81' ' ' ILE . . . -56.6 -42.06 78.07 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.774 179.109 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 78' ' ' MET . . . . . . . . . . . . . 66.1 mtt -63.02 -39.65 95.39 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.279 178.73 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 79' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 -68.65 -41.05 79.9 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.665 178.869 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 80' ' ' ILE . . . . . 0.487 HG13 ' O ' ' B' ' 76' ' ' GLU . 87.5 mt -61.6 -47.77 91.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.556 177.506 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 81' ' ' ILE . . . . . 0.444 HG13 ' HB2' ' A' ' 92' ' ' LEU . 44.0 mm -64.22 -38.21 81.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.149 -179.519 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 82' ' ' LYS . . . . . 0.4 ' C ' ' HD2' ' B' ' 82' ' ' LYS . 2.6 tmmm? -61.56 -49.51 76.37 Favored 'General case' 0 C--O 1.234 0.242 0 N-CA-C 109.382 -0.599 . . . . 0.0 109.382 177.256 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 83' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -64.11 -37.01 85.91 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.492 -0.776 . . . . 0.0 110.583 179.514 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 84' ' ' PHE . . . . . 0.525 ' O ' ' HG ' ' B' ' 88' ' ' LEU . 1.6 t80 -60.5 -53.15 61.06 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.064 178.649 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 85' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -61.09 -37.5 82.94 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.913 179.762 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 86' ' ' LYS . . . . . . . . . . . . . 26.7 tttm -57.32 -57.58 11.99 Favored 'General case' 0 C--O 1.236 0.347 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.978 178.358 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 87' ' ' ASP . . . . . 0.587 ' O ' ' HG2' ' B' ' 91' ' ' MET . 0.6 OUTLIER -66.64 -30.25 70.48 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.193 -177.495 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' B' B ' 88' ' ' LEU . . . . . 0.525 ' HG ' ' O ' ' B' ' 84' ' ' PHE . 62.8 mt -60.84 -43.41 98.33 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.94 0.4 . . . . 0.0 110.395 175.008 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -63.3 -36.99 85.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.73 179.203 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 90' ' ' ALA . . . . . 0.557 ' O ' HG13 ' B' ' 94' ' ' ILE . . . -66.35 -49.68 66.13 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.741 178.124 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 91' ' ' MET . . . . . 0.587 ' HG2' ' O ' ' B' ' 87' ' ' ASP . 94.2 mmm -61.01 -37.94 84.31 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.311 179.796 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 92' ' ' LEU . . . . . 0.467 ' HB2' HG13 ' A' ' 81' ' ' ILE . 54.7 tp -59.88 -45.29 92.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.697 -0.683 . . . . 0.0 111.128 177.505 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 93' ' ' ARG . . . . . . . . . . . . . 72.3 ttt180 -64.5 -30.5 71.53 Favored 'General case' 0 N--CA 1.442 -0.86 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.58 -178.468 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 94' ' ' ILE . . . . . 0.557 HG13 ' O ' ' B' ' 90' ' ' ALA . 22.3 mt -71.13 -35.5 58.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.584 -0.28 . . . . 0.0 110.396 176.52 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 95' ' ' ILE . . . . . 0.532 HD11 ' NE1' ' A' ' 69' ' ' TRP . 13.5 mm -53.84 -48.64 61.87 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.266 0 CA-C-O 121.53 0.681 . . . . 0.0 109.36 173.687 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 96' ' ' ASN . . . . . . . . . . . . . 4.3 t-20 -74.63 -22.45 58.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.25 -0.886 . . . . 0.0 111.143 -177.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 97' ' ' ALA . . . . . . . . . . . . . . . -67.45 -37.61 83.22 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.347 0.594 . . . . 0.0 109.983 175.19 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 98' ' ' ARG . . . . . 0.52 ' HG2' ' O ' ' B' ' 94' ' ' ILE . 15.0 ptm180 . . . . . 0 C--N 1.323 -0.56 0 CA-C-N 115.198 -0.91 . . . . 0.0 109.353 177.429 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.0 0 CA-C-O 120.709 0.29 . . . . 0.0 110.64 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -61.14 -35.67 91.19 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 121.195 -0.526 . . . . 0.0 113.08 -176.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 67.7 tp -68.85 -31.47 70.45 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 120.786 0.327 . . . . 0.0 111.003 -179.354 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 53.4 tp -84.06 -39.78 19.15 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.963 0.411 . . . . 0.0 110.828 -175.505 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -93.24 -3.21 54.12 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.188 -177.322 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 68.15 25.96 74.29 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 121.101 -0.571 . . . . 0.0 112.171 177.177 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 68.4 m80 -141.23 71.01 1.35 Allowed 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.813 0.34 . . . . 0.0 110.306 -177.41 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.746 ' HA3' ' SD ' ' A' ' 46' ' ' MET . . . -83.38 -161.89 32.12 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.671 -0.776 . . . . 0.0 111.803 178.045 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.436 ' O ' HG23 ' A' ' 47' ' ' VAL . 62.8 Cg_endo -74.24 -176.19 2.57 Favored 'Trans proline' 0 N--CA 1.462 -0.325 0 C-N-CA 122.239 1.959 . . . . 0.0 112.145 178.143 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 19.2 pt -57.29 -28.78 31.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-O 120.821 0.343 . . . . 0.0 111.763 -178.349 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.506 ' HA ' HD13 ' A' ' 80' ' ' ILE . 97.0 mtt180 -62.45 -43.46 98.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.091 0.472 . . . . 0.0 110.653 176.635 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . 0.746 ' SD ' ' HA3' ' A' ' 42' ' ' GLY . 54.5 mtt -73.79 -28.2 61.52 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.712 178.798 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.436 HG23 ' O ' ' A' ' 43' ' ' PRO . 86.0 t -58.55 -48.97 84.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.765 0.317 . . . . 0.0 110.434 176.573 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 62.0 mt -65.99 -35.49 80.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.679 178.427 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -60.95 -47.53 86.02 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.009 176.008 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.559 HG13 ' O ' ' A' ' 46' ' ' MET . 66.4 mt -65.32 -33.83 66.34 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.177 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.156 178.375 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.546 ' O ' ' HG2' ' A' ' 55' ' ' ARG . 14.4 tp -62.31 -52.71 62.57 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.423 178.162 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.54 -38.6 81.47 Favored 'General case' 0 CA--C 1.518 -0.277 0 CA-C-O 120.873 0.368 . . . . 0.0 110.456 178.882 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.451 ' HB3' ' O ' ' A' ' 50' ' ' ILE . 75.2 t80 -52.34 -57.67 9.06 Favored 'General case' 0 N--CA 1.451 -0.414 0 CA-C-N 115.631 -0.713 . . . . 0.0 109.27 172.817 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.445 HD13 ' H ' ' A' ' 62' ' ' SER . 93.2 mt -69.53 -6.57 31.67 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.111 -0.495 . . . . 0.0 112.301 -178.608 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.546 ' HG2' ' O ' ' A' ' 51' ' ' LEU . 36.0 mmt180 -85.81 -42.57 14.05 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.925 0.393 . . . . 0.0 110.897 175.355 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 40.6 m-85 -100.82 -8.18 22.89 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.931 -176.345 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . 0.558 ' HA ' ' HG2' ' B' ' 46' ' ' MET . 43.7 p -107.34 -12.37 15.35 Favored 'General case' 0 C--N 1.327 -0.396 0 C-N-CA 120.566 -0.454 . . . . 0.0 110.993 174.862 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -146.26 170.15 17.33 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.979 -173.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 70.4 mt -105.04 -18.16 7.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-O 121.943 0.878 . . . . 0.0 110.338 -179.276 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 59.4 tptt -141.9 109.64 6.02 Favored Pre-proline 0 C--N 1.306 -1.292 0 CA-C-N 114.5 -1.227 . . . . 0.0 110.657 -178.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 17.1 Cg_exo -68.24 154.57 71.92 Favored 'Trans proline' 0 C--O 1.234 0.304 0 C-N-CA 122.665 2.243 . . . . 0.0 111.679 175.715 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.445 ' H ' HD13 ' A' ' 54' ' ' LEU . 12.8 m -69.7 139.78 53.47 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.629 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 84.5 mt -63.46 -21.94 66.6 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.38 -0.827 . . . . 0.0 112.076 -173.088 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -62.68 -45.8 95.02 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.576 -0.821 . . . . 0.0 111.556 175.69 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -66.19 -39.58 89.81 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 109.713 -0.477 . . . . 0.0 109.713 176.79 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 50.4 mm -65.01 -34.07 68.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.044 179.681 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 8.7 t30 -73.35 -33.86 65.31 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.883 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 65.6 ttt180 -90.85 -8.46 49.48 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.386 0.613 . . . . 0.0 110.152 -179.229 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' TRP . . . . . 0.594 ' NE1' HD11 ' B' ' 95' ' ' ILE . 11.3 t90 -60.95 -47.9 84.31 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.144 -0.935 . . . . 0.0 110.892 -178.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -73.71 -5.05 67.79 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.832 -0.699 . . . . 0.0 112.421 178.492 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 33.4 t -89.24 -8.47 53.41 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.038 0.447 . . . . 0.0 109.906 179.091 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 70.0 t -72.08 127.26 33.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.092 -0.504 . . . . 0.0 109.873 176.368 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -62.83 119.41 17.32 Favored Glycine 0 N--CA 1.442 -0.96 0 N-CA-C 110.292 -1.123 . . . . 0.0 110.292 174.563 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.494 ' O ' ' HG3' ' A' ' 78' ' ' MET . 8.5 ptpp? -63.53 -23.41 67.38 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 120.584 0.231 . . . . 0.0 111.146 -172.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 21.6 tptm -66.01 -49.96 65.93 Favored 'General case' 0 C--N 1.331 -0.233 0 N-CA-C 109.654 -0.498 . . . . 0.0 109.654 173.102 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.504 ' O ' HG13 ' A' ' 80' ' ' ILE . 18.5 tp10 -61.59 -40.63 95.45 Favored 'General case' 0 N--CA 1.453 -0.308 0 CA-C-N 115.648 -0.706 . . . . 0.0 109.442 176.605 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.423 ' O ' HG12 ' A' ' 81' ' ' ILE . . . -55.82 -45.42 78.34 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.824 177.377 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . 0.494 ' HG3' ' O ' ' A' ' 74' ' ' LYS . 66.5 mtt -57.56 -41.91 81.99 Favored 'General case' 0 C--O 1.236 0.364 0 CA-C-O 121.209 0.528 . . . . 0.0 110.481 177.578 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -69.02 -46.41 68.05 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.687 179.288 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.506 HD13 ' HA ' ' A' ' 45' ' ' ARG . 86.3 mt -58.26 -53.84 40.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.98 179.194 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.452 HG23 ' HB3' ' B' ' 88' ' ' LEU . 44.6 mm -58.42 -38.77 71.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.025 -178.046 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 3.6 ttmp? -61.11 -51.87 67.29 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.707 177.892 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 53.0 mtmt -69.23 -28.57 66.47 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.961 -179.114 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . 0.453 ' O ' ' HG ' ' A' ' 88' ' ' LEU . 0.9 OUTLIER -65.5 -49.72 67.95 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.878 -0.601 . . . . 0.0 109.729 178.498 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -62.4 -32.57 73.42 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.673 178.098 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 3.8 mmmp? -65.57 -42.66 91.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.896 176.793 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -67.05 -39.16 86.85 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 109.608 -0.516 . . . . 0.0 109.608 179.354 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.453 ' HG ' ' O ' ' A' ' 84' ' ' PHE . 97.0 mt -63.77 -40.69 97.3 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.93 177.422 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -62.85 -42.29 99.68 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.593 178.555 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . 0.543 ' O ' HG13 ' A' ' 94' ' ' ILE . . . -67.15 -43.32 82.6 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.094 176.231 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' MET . . . . . 0.58 ' O ' HG12 ' A' ' 95' ' ' ILE . 37.7 ttm -53.01 -54.58 33.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.394 177.876 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.423 ' HB2' HG13 ' B' ' 81' ' ' ILE . 63.9 tp -52.32 -50.78 61.56 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.485 -0.78 . . . . 0.0 111.082 178.131 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 79.7 ttt180 -56.52 -43.27 79.62 Favored 'General case' 0 N--CA 1.445 -0.701 0 CA-C-N 115.253 -0.885 . . . . 0.0 111.265 -178.404 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 0.622 ' O ' ' HG2' ' A' ' 98' ' ' ARG . 52.3 mt -73.2 -35.26 46.8 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.487 0 CA-C-N 116.473 -0.33 . . . . 0.0 111.226 -178.026 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.618 HD11 ' NE1' ' B' ' 69' ' ' TRP . 25.2 mm -57.84 -42.91 83.25 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.338 0 CA-C-O 121.289 0.566 . . . . 0.0 109.575 175.023 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 94.6 m-20 -60.98 -38.83 87.36 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.334 -0.848 . . . . 0.0 110.518 176.799 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -80.29 -17.47 52.01 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.751 -178.479 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . 0.622 ' HG2' ' O ' ' A' ' 94' ' ' ILE . 3.7 mmp_? -65.16 -49.9 68.05 Favored 'General case' 0 CA--C 1.519 -0.235 0 CA-C-O 121.103 0.478 . . . . 0.0 110.095 178.675 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 43.9 tptt -96.01 5.06 52.05 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 109.031 -0.729 . . . . 0.0 109.031 176.197 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . 0.562 ' O ' ' HG3' ' A' ' 103' ' ' ARG . 12.1 pt-20 46.76 26.51 0.56 Allowed 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 125.154 1.382 . . . . 0.0 113.524 175.905 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 97.1 mttt 52.33 26.02 3.81 Favored 'General case' 0 N--CA 1.468 0.438 0 CA-C-O 120.852 0.358 . . . . 0.0 111.232 -177.551 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 21.4 tptm 57.14 65.89 1.28 Allowed 'General case' 0 CA--C 1.532 0.262 0 CA-C-N 115.361 -0.836 . . . . 0.0 111.248 -178.777 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . 0.562 ' HG3' ' O ' ' A' ' 100' ' ' GLU . 82.2 mtm180 -67.7 -38.47 83.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.366 0.603 . . . . 0.0 109.965 174.836 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 59.9 mtm180 . . . . . 0 C--O 1.249 1.04 0 CA-C-N 115.229 -0.896 . . . . 0.0 110.337 -176.135 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.037 0 CA-C-O 120.824 0.345 . . . . 0.0 110.539 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 36' ' ' GLY . . . . . . . . . . . . . . . -61.39 -36.34 92.37 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 121.103 -0.57 . . . . 0.0 112.988 -176.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 67.2 tp -68.18 -31.38 70.87 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 120.758 0.313 . . . . 0.0 111.157 -179.681 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 53.4 tp -84.48 -39.34 19.02 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.907 0.384 . . . . 0.0 110.798 -175.418 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -93.59 -2.81 53.67 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.193 -177.483 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . 67.84 26.15 73.96 Favored Glycine 0 N--CA 1.453 -0.219 0 C-N-CA 121.139 -0.553 . . . . 0.0 112.163 177.086 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 41' ' ' HIS . . . . . . . . . . . . . 68.4 m80 -141.4 70.58 1.34 Allowed 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.753 0.311 . . . . 0.0 110.415 -177.261 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 42' ' ' GLY . . . . . 0.739 ' HA3' ' SD ' ' B' ' 46' ' ' MET . . . -83.14 -161.62 31.28 Favored Glycine 0 N--CA 1.449 -0.459 0 C-N-CA 120.629 -0.796 . . . . 0.0 111.914 178.17 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 43' ' ' PRO . . . . . 0.448 ' O ' HG23 ' B' ' 47' ' ' VAL . 61.7 Cg_endo -74.37 -176.19 2.6 Favored 'Trans proline' 0 N--CA 1.461 -0.405 0 C-N-CA 122.268 1.979 . . . . 0.0 112.127 178.108 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 19.3 pt -57.38 -28.66 31.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-O 120.811 0.339 . . . . 0.0 111.785 -178.372 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 45' ' ' ARG . . . . . 0.511 ' HA ' HD13 ' B' ' 80' ' ' ILE . 96.8 mtt180 -62.52 -43.42 98.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.139 0.495 . . . . 0.0 110.614 176.643 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 46' ' ' MET . . . . . 0.739 ' SD ' ' HA3' ' B' ' 42' ' ' GLY . 55.1 mtt -73.74 -28.37 61.65 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.738 178.838 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 47' ' ' VAL . . . . . 0.448 HG23 ' O ' ' B' ' 43' ' ' PRO . 86.9 t -58.37 -49.07 83.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.733 0.301 . . . . 0.0 110.454 176.587 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 61.9 mt -65.8 -35.59 81.12 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.693 178.395 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -60.91 -47.74 85.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.976 175.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 50' ' ' ILE . . . . . 0.538 HG13 ' O ' ' B' ' 46' ' ' MET . 66.0 mt -65.07 -33.89 66.84 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.262 178.209 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 51' ' ' LEU . . . . . 0.554 ' O ' ' HG2' ' B' ' 55' ' ' ARG . 14.4 tp -62.31 -52.58 63.12 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.485 178.188 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.68 -38.69 82.24 Favored 'General case' 0 CA--C 1.518 -0.261 0 CA-C-O 120.895 0.379 . . . . 0.0 110.41 178.897 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 53' ' ' PHE . . . . . 0.451 ' HB3' ' O ' ' B' ' 50' ' ' ILE . 75.5 t80 -52.16 -57.64 9.01 Favored 'General case' 0 N--CA 1.451 -0.389 0 CA-C-N 115.591 -0.731 . . . . 0.0 109.319 172.686 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 54' ' ' LEU . . . . . 0.432 HD13 ' H ' ' B' ' 62' ' ' SER . 94.2 mt -69.6 -6.74 33.13 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.104 -0.498 . . . . 0.0 112.213 -178.439 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 55' ' ' ARG . . . . . 0.554 ' HG2' ' O ' ' B' ' 51' ' ' LEU . 36.3 mmt180 -85.57 -42.87 13.99 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.915 0.388 . . . . 0.0 110.928 175.534 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 56' ' ' PHE . . . . . . . . . . . . . 41.0 m-85 -100.39 -8.63 23.07 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 116.081 -0.508 . . . . 0.0 112.006 -176.383 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 57' ' ' THR . . . . . 0.535 ' HA ' ' HG2' ' A' ' 46' ' ' MET . 44.2 p -106.89 -12.48 15.46 Favored 'General case' 0 C--N 1.328 -0.347 0 C-N-CA 120.547 -0.461 . . . . 0.0 111.014 174.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -146.64 169.71 18.43 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.945 -173.766 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 59' ' ' ILE . . . . . . . . . . . . . 70.1 mt -104.37 -18.39 6.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-O 122.015 0.912 . . . . 0.0 110.482 -179.115 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 59.5 tptt -141.85 109.25 6.0 Favored Pre-proline 0 C--N 1.307 -1.263 0 CA-C-N 114.485 -1.234 . . . . 0.0 110.647 -178.622 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 61' ' ' PRO . . . . . . . . . . . . . 17.0 Cg_exo -67.94 154.06 73.75 Favored 'Trans proline' 0 C--O 1.233 0.248 0 C-N-CA 122.738 2.292 . . . . 0.0 111.772 175.703 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 62' ' ' SER . . . . . 0.432 ' H ' HD13 ' B' ' 54' ' ' LEU . 12.7 m -69.44 139.58 54.02 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.757 -179.746 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 84.8 mt -63.05 -21.96 66.52 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 115.413 -0.812 . . . . 0.0 112.242 -173.071 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -62.82 -45.52 95.54 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.656 -0.783 . . . . 0.0 111.607 175.837 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -66.39 -39.55 89.11 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 109.747 -0.464 . . . . 0.0 109.747 176.614 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 66' ' ' ILE . . . . . . . . . . . . . 50.4 mm -65.03 -34.32 69.76 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 115.805 -0.634 . . . . 0.0 111.023 179.643 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 67' ' ' ASN . . . . . . . . . . . . . 8.7 t30 -72.83 -34.47 66.85 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.904 179.882 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 68' ' ' ARG . . . . . . . . . . . . . 65.5 ttt180 -90.33 -8.49 50.66 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.416 0.626 . . . . 0.0 110.153 -179.026 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 69' ' ' TRP . . . . . 0.618 ' NE1' HD11 ' A' ' 95' ' ' ILE . 11.3 t90 -60.87 -47.93 84.13 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.204 -0.907 . . . . 0.0 110.978 -178.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . -74.39 -4.2 68.51 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.352 178.54 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 71' ' ' SER . . . . . . . . . . . . . 33.1 t -89.46 -8.66 52.48 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 120.915 0.388 . . . . 0.0 109.965 178.538 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 72' ' ' VAL . . . . . . . . . . . . . 74.2 t -71.66 127.76 33.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.13 -0.486 . . . . 0.0 109.786 176.523 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 73' ' ' GLY . . . . . . . . . . . . . . . -63.44 119.85 18.37 Favored Glycine 0 N--CA 1.443 -0.859 0 N-CA-C 110.225 -1.15 . . . . 0.0 110.225 174.69 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 74' ' ' LYS . . . . . 0.488 ' O ' ' HG3' ' B' ' 78' ' ' MET . 8.4 ptpp? -63.78 -23.29 67.3 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.69 0.245 . . . . 0.0 111.14 -173.01 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 75' ' ' LYS . . . . . . . . . . . . . 21.6 tptm -65.92 -50.23 65.16 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 109.664 -0.495 . . . . 0.0 109.664 173.007 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 76' ' ' GLU . . . . . 0.508 ' O ' HG13 ' B' ' 80' ' ' ILE . 19.5 tp10 -61.35 -40.67 95.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.692 -0.685 . . . . 0.0 109.458 176.475 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 77' ' ' ALA . . . . . 0.408 ' O ' HG12 ' B' ' 81' ' ' ILE . . . -55.71 -45.43 77.9 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.771 177.509 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 78' ' ' MET . . . . . 0.488 ' HG3' ' O ' ' B' ' 74' ' ' LYS . 66.6 mtt -57.53 -42.08 82.17 Favored 'General case' 0 C--O 1.237 0.396 0 CA-C-O 121.149 0.5 . . . . 0.0 110.597 177.55 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 79' ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 -68.78 -46.68 68.09 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.683 -0.69 . . . . 0.0 110.634 179.19 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 80' ' ' ILE . . . . . 0.511 HD13 ' HA ' ' B' ' 45' ' ' ARG . 86.3 mt -58.02 -54.07 37.11 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.006 179.216 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 81' ' ' ILE . . . . . 0.443 HG23 ' HB3' ' A' ' 88' ' ' LEU . 44.7 mm -58.29 -38.73 70.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.951 -178.105 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 82' ' ' LYS . . . . . . . . . . . . . 3.7 ttmp? -61.22 -51.95 66.82 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.576 178.074 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 83' ' ' LYS . . . . . . . . . . . . . 53.0 mtmt -69.2 -28.35 66.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.015 -179.107 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 84' ' ' PHE . . . . . 0.475 ' O ' ' HG ' ' B' ' 88' ' ' LEU . 0.9 OUTLIER -65.68 -49.46 68.47 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.913 -0.585 . . . . 0.0 109.702 178.421 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 85' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -62.68 -32.4 73.46 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.651 178.223 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 86' ' ' LYS . . . . . . . . . . . . . 3.8 mmmp? -65.97 -41.97 90.47 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.917 176.865 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 87' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -67.69 -38.88 84.28 Favored 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 109.637 -0.505 . . . . 0.0 109.637 179.239 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 88' ' ' LEU . . . . . 0.475 ' HG ' ' O ' ' B' ' 84' ' ' PHE . 97.3 mt -64.1 -40.53 96.43 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.961 177.336 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -62.85 -42.56 99.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.575 178.572 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 90' ' ' ALA . . . . . 0.544 ' O ' HG13 ' B' ' 94' ' ' ILE . . . -66.83 -43.6 83.34 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.162 176.194 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 91' ' ' MET . . . . . 0.593 ' O ' HG12 ' B' ' 95' ' ' ILE . 37.5 ttm -52.81 -54.49 33.53 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.606 -0.724 . . . . 0.0 110.359 177.894 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 92' ' ' LEU . . . . . 0.444 ' HB2' HG13 ' A' ' 81' ' ' ILE . 63.7 tp -52.55 -50.4 62.99 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.486 -0.779 . . . . 0.0 111.087 178.193 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 93' ' ' ARG . . . . . . . . . . . . . 79.7 ttt180 -56.94 -43.27 81.33 Favored 'General case' 0 N--CA 1.446 -0.674 0 CA-C-N 115.28 -0.873 . . . . 0.0 111.191 -178.313 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 94' ' ' ILE . . . . . 0.605 ' O ' ' HG2' ' B' ' 98' ' ' ARG . 51.5 mt -73.05 -35.54 48.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-N 116.456 -0.338 . . . . 0.0 111.224 -178.215 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 95' ' ' ILE . . . . . 0.594 HD11 ' NE1' ' A' ' 69' ' ' TRP . 25.1 mm -57.62 -43.29 83.15 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.368 0 CA-C-O 121.372 0.605 . . . . 0.0 109.512 175.019 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 96' ' ' ASN . . . . . . . . . . . . . 94.5 m-20 -60.59 -38.88 86.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.436 -0.802 . . . . 0.0 110.545 176.843 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 97' ' ' ALA . . . . . . . . . . . . . . . -80.17 -17.4 52.54 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.719 -178.461 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 98' ' ' ARG . . . . . 0.605 ' HG2' ' O ' ' B' ' 94' ' ' ILE . 3.7 mmp_? -65.33 -49.7 68.43 Favored 'General case' 0 CA--C 1.518 -0.256 0 CA-C-O 121.18 0.514 . . . . 0.0 110.13 178.675 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 99' ' ' LYS . . . . . . . . . . . . . 43.8 tptt -96.3 5.35 51.16 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 109.076 -0.712 . . . . 0.0 109.076 176.004 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 100' ' ' GLU . . . . . 0.566 ' O ' ' HG3' ' B' ' 103' ' ' ARG . 12.2 pt-20 46.9 25.91 0.52 Allowed 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 125.15 1.38 . . . . 0.0 113.518 175.811 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 101' ' ' LYS . . . . . . . . . . . . . 97.0 mttt 52.54 26.26 4.17 Favored 'General case' 0 N--CA 1.467 0.379 0 C-N-CA 122.628 0.371 . . . . 0.0 111.16 -177.207 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 102' ' ' LYS . . . . . . . . . . . . . 21.5 tptm 57.28 65.12 1.43 Allowed 'General case' 0 CA--C 1.533 0.32 0 CA-C-N 115.415 -0.811 . . . . 0.0 111.376 -179.165 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 103' ' ' ARG . . . . . 0.566 ' HG3' ' O ' ' B' ' 100' ' ' GLU . 82.5 mtm180 -67.12 -38.71 86.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.328 0.585 . . . . 0.0 109.832 174.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 104' ' ' ARG . . . . . . . . . . . . . 60.4 mtm180 . . . . . 0 C--O 1.248 0.992 0 CA-C-N 115.234 -0.893 . . . . 0.0 110.485 -176.222 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 0.981 0 CA-C-O 120.794 0.33 . . . . 0.0 110.213 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -60.15 -32.27 75.71 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 121.122 -0.561 . . . . 0.0 113.081 -176.491 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 63.6 mt -75.95 -9.87 58.96 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 120.805 0.336 . . . . 0.0 111.006 -177.674 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 8.6 tt -96.49 -40.03 9.27 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 109.635 -0.505 . . . . 0.0 109.635 178.395 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -80.92 -17.71 49.6 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.12 -178.652 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 93.33 33.8 7.03 Favored Glycine 0 N--CA 1.448 -0.56 0 C-N-CA 120.685 -0.769 . . . . 0.0 111.992 178.527 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 65.1 m-70 -132.25 90.69 2.84 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 109.619 -0.511 . . . . 0.0 109.619 178.59 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -112.29 179.94 19.57 Favored Glycine 0 N--CA 1.448 -0.5 0 C-N-CA 120.558 -0.83 . . . . 0.0 112.304 -177.679 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.453 ' O ' HG23 ' A' ' 47' ' ' VAL . 50.7 Cg_endo -69.48 -171.56 0.46 Allowed 'Trans proline' 0 CA--C 1.531 0.335 0 C-N-CA 122.825 2.35 . . . . 0.0 113.017 -179.844 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.512 HD12 ' OE1' ' A' ' 76' ' ' GLU . 2.6 pt -43.54 -50.91 1.39 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.554 0 N-CA-C 113.553 0.945 . . . . 0.0 113.553 -176.806 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.593 ' HG3' ' SD ' ' A' ' 46' ' ' MET . 12.2 ptt180 -59.63 -42.81 93.54 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.864 0.364 . . . . 0.0 111.879 179.892 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . 0.63 ' O ' HG13 ' A' ' 50' ' ' ILE . 1.6 mpt? -68.97 -28.22 66.42 Favored 'General case' 0 C--N 1.324 -0.533 0 C-N-CA 121.045 -0.262 . . . . 0.0 110.981 178.394 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.453 HG23 ' O ' ' A' ' 43' ' ' PRO . 94.6 t -60.91 -42.01 91.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 121.433 0.635 . . . . 0.0 109.339 176.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 5.6 tp -65.27 -38.77 91.33 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 114.958 -1.019 . . . . 0.0 110.467 178.389 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -68.17 -44.99 74.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.249 178.068 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.63 HG13 ' O ' ' A' ' 46' ' ' MET . 67.0 mt -63.9 -32.7 58.14 Favored 'Isoleucine or valine' 0 C--O 1.233 0.213 0 CA-C-O 121.135 0.493 . . . . 0.0 109.927 178.374 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.519 ' O ' ' HG2' ' A' ' 55' ' ' ARG . 12.5 tp -57.3 -58.56 7.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.693 -0.685 . . . . 0.0 110.195 175.847 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -57.2 -39.48 75.49 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.995 -179.551 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 84.8 t80 -52.85 -58.99 5.09 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.623 -0.717 . . . . 0.0 109.873 174.471 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.44 HD13 ' H ' ' A' ' 62' ' ' SER . 91.8 mt -68.19 -11.87 59.99 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.933 -177.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.519 ' HG2' ' O ' ' A' ' 51' ' ' LEU . 26.3 mmm180 -82.18 -40.25 22.01 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.724 0.297 . . . . 0.0 111.379 178.427 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . 0.527 ' CZ ' ' HA ' ' B' ' 84' ' ' PHE . 61.2 m-85 -105.88 -8.45 17.68 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.292 -0.413 . . . . 0.0 112.067 -175.616 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . 0.483 ' HA ' ' HG3' ' B' ' 46' ' ' MET . 48.9 p -102.41 -32.06 10.17 Favored 'General case' 0 C--N 1.325 -0.499 0 C-N-CA 120.215 -0.594 . . . . 0.0 110.897 174.592 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -131.9 -179.41 5.38 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.107 -173.223 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 49.3 mm -115.64 120.72 65.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 N-CA-C 109.245 -0.65 . . . . 0.0 109.245 176.227 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 87.9 tttt 66.88 103.42 0.03 OUTLIER Pre-proline 0 C--O 1.232 0.176 0 O-C-N 123.994 0.808 . . . . 0.0 111.048 -177.515 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 33.2 Cg_exo -61.53 152.01 76.18 Favored 'Trans proline' 0 C--O 1.234 0.308 0 C-N-CA 122.844 2.362 . . . . 0.0 112.08 178.122 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.451 ' HB3' HD23 ' A' ' 65' ' ' LEU . 33.4 t -58.81 138.37 57.25 Favored 'General case' 0 C--O 1.236 0.39 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.495 178.838 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 82.9 mt -60.96 -23.59 65.45 Favored 'General case' 0 C--O 1.224 -0.258 0 CA-C-N 115.307 -0.861 . . . . 0.0 112.207 -172.462 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -61.73 -43.27 99.46 Favored Glycine 0 C--O 1.237 0.339 0 C-N-CA 120.305 -0.95 . . . . 0.0 111.624 176.118 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.451 HD23 ' HB3' ' A' ' 62' ' ' SER . 3.3 mm? -68.52 -38.79 81.18 Favored 'General case' 0 C--O 1.221 -0.434 0 N-CA-C 109.696 -0.483 . . . . 0.0 109.696 176.211 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 48.8 mm -64.47 -36.14 76.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 115.989 -0.55 . . . . 0.0 111.197 179.592 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 86.1 m-20 -71.19 -38.67 72.1 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.289 179.702 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 70.6 ttt180 -87.76 -8.4 56.06 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.547 0.689 . . . . 0.0 110.151 -179.582 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' TRP . . . . . 0.683 ' NE1' HD11 ' B' ' 95' ' ' ILE . 18.0 t90 -57.16 -41.71 79.7 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 114.935 -1.03 . . . . 0.0 110.898 -179.837 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -81.63 -1.34 90.13 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.65 -0.786 . . . . 0.0 112.629 -178.899 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 26.2 t -88.75 -12.89 40.91 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.758 0.313 . . . . 0.0 110.28 -179.379 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 30.3 t -63.33 143.42 15.61 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.433 0 N-CA-C 108.798 -0.815 . . . . 0.0 108.798 174.47 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . 0.488 ' C ' ' HG2' ' A' ' 74' ' ' LYS . . . -72.55 17.62 1.49 Allowed Glycine 0 C--O 1.223 -0.575 0 CA-C-O 118.908 -0.94 . . . . 0.0 114.565 -170.334 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.488 ' HG2' ' C ' ' A' ' 73' ' ' GLY . 2.0 ptpp? 51.01 -65.68 0.0 OUTLIER 'General case' 0 N--CA 1.485 1.322 0 C-N-CA 125.114 1.366 . . . . 0.0 113.808 178.773 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.471 ' N ' ' O ' ' A' ' 73' ' ' GLY . 1.3 tmtp? -54.94 -51.21 66.81 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 108.852 -0.796 . . . . 0.0 108.852 169.803 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.512 ' OE1' HD12 ' A' ' 44' ' ' ILE . 9.9 tt0 -48.2 -47.08 35.61 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 114.291 -1.322 . . . . 0.0 110.73 171.733 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -61.49 -35.54 77.95 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.182 -179.198 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . 0.436 ' HG3' ' O ' ' A' ' 74' ' ' LYS . 65.2 mtt -58.03 -44.8 87.55 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 109.82 -0.437 . . . . 0.0 109.82 176.861 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 27.5 mm-40 -64.51 -43.85 92.79 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.488 -0.778 . . . . 0.0 111.091 177.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.483 HD13 ' HA ' ' A' ' 45' ' ' ARG . 73.3 mt -62.24 -52.21 63.03 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.851 179.218 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 40.8 mm -60.96 -35.01 62.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.782 -179.446 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.71 -51.9 67.42 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.137 177.192 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 59.6 mtpt -65.42 -34.15 77.63 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.777 178.894 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . 0.533 ' O ' ' HG ' ' A' ' 88' ' ' LEU . 1.7 t80 -60.53 -52.18 66.28 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.738 -0.664 . . . . 0.0 110.029 179.248 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -63.61 -35.21 79.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.116 179.219 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -64.43 -45.17 88.69 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.896 178.367 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -67.63 -38.65 84.2 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.309 -0.405 . . . . 0.0 109.938 -178.237 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.533 ' HG ' ' O ' ' A' ' 84' ' ' PHE . 91.6 mt -60.46 -40.3 90.7 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.731 176.607 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.482 ' O ' ' HG3' ' A' ' 93' ' ' ARG . . . -62.1 -46.83 87.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.925 -179.567 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . 0.473 ' O ' HG13 ' A' ' 94' ' ' ILE . . . -63.36 -47.47 82.0 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.816 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' MET . . . . . 0.554 ' O ' HG12 ' A' ' 95' ' ' ILE . 0.0 OUTLIER -61.15 -38.49 86.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.923 -0.58 . . . . 0.0 111.308 -179.622 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 51.5 tp -58.94 -46.44 87.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.132 0.491 . . . . 0.0 110.894 177.143 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . 0.482 ' HG3' ' O ' ' A' ' 89' ' ' ALA . 90.2 mtt180 -61.22 -36.0 78.74 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.635 -179.724 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 0.595 ' O ' ' HG3' ' A' ' 98' ' ' ARG . 60.5 mt -69.03 -37.06 76.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.847 179.106 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.677 HD11 ' NE1' ' B' ' 69' ' ' TRP . 25.9 mm -57.11 -45.57 84.29 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.214 0 CA-C-O 121.243 0.544 . . . . 0.0 109.962 176.608 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' ASN . . . . . 0.577 ' O ' ' HG2' ' A' ' 99' ' ' LYS . 80.1 m-20 -60.34 -38.91 85.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.306 -0.861 . . . . 0.0 110.469 178.155 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -74.68 -2.62 27.07 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.746 -178.908 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . 0.595 ' HG3' ' O ' ' A' ' 94' ' ' ILE . 58.8 mtp180 -99.67 9.83 42.42 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 111.807 0.299 . . . . 0.0 111.807 -179.616 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . 0.577 ' HG2' ' O ' ' A' ' 96' ' ' ASN . 61.3 pttt -80.33 -43.28 21.47 Favored 'General case' 0 CA--C 1.517 -0.308 0 N-CA-C 108.86 -0.792 . . . . 0.0 108.86 171.13 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 47.46 45.58 17.27 Favored 'General case' 0 C--O 1.235 0.324 0 O-C-N 123.871 0.732 . . . . 0.0 111.242 177.539 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 58.6 pttt -144.8 -161.7 1.34 Allowed 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.67 -0.696 . . . . 0.0 110.199 178.773 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 18.7 ptpt -56.21 156.55 5.57 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 121.435 0.636 . . . . 0.0 111.924 179.672 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 34.5 ptt180 -108.86 34.66 3.57 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.563 -0.744 . . . . 0.0 110.084 178.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 33.9 mmt180 . . . . . 0 C--O 1.247 0.955 0 CA-C-O 118.516 -0.754 . . . . 0.0 110.555 -178.703 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 0.939 0 CA-C-O 120.95 0.405 . . . . 0.0 110.326 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 36' ' ' GLY . . . . . . . . . . . . . . . -60.52 -32.03 76.59 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.974 -0.631 . . . . 0.0 112.965 -176.366 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 63.5 mt -75.88 -10.14 59.18 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 120.832 0.348 . . . . 0.0 111.133 -177.663 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 8.6 tt -96.49 -40.02 9.27 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 109.552 -0.536 . . . . 0.0 109.552 178.436 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -80.78 -17.84 49.59 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.024 -178.755 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . 93.51 33.18 7.27 Favored Glycine 0 N--CA 1.449 -0.452 0 C-N-CA 120.667 -0.778 . . . . 0.0 111.991 178.652 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 41' ' ' HIS . . . . . . . . . . . . . 64.6 m-70 -131.83 90.95 2.9 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 109.427 -0.582 . . . . 0.0 109.427 178.756 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 42' ' ' GLY . . . . . . . . . . . . . . . -112.17 -179.63 19.73 Favored Glycine 0 N--CA 1.448 -0.535 0 C-N-CA 120.504 -0.855 . . . . 0.0 112.287 -177.802 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 43' ' ' PRO . . . . . 0.454 ' O ' HG23 ' B' ' 47' ' ' VAL . 50.8 Cg_endo -69.79 -171.61 0.49 Allowed 'Trans proline' 0 CA--C 1.53 0.307 0 C-N-CA 122.911 2.407 . . . . 0.0 113.02 179.869 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . 0.505 HD12 ' OE1' ' B' ' 76' ' ' GLU . 2.6 pt -43.53 -51.22 1.35 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.544 0 N-CA-C 113.513 0.931 . . . . 0.0 113.513 -176.784 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 45' ' ' ARG . . . . . 0.582 ' HG3' ' SD ' ' B' ' 46' ' ' MET . 12.2 ptt180 -59.32 -42.93 92.55 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.859 0.362 . . . . 0.0 111.916 179.802 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 46' ' ' MET . . . . . 0.628 ' O ' HG13 ' B' ' 50' ' ' ILE . 1.5 mpt? -68.9 -28.28 66.54 Favored 'General case' 0 C--N 1.324 -0.542 0 C-N-CA 120.99 -0.284 . . . . 0.0 110.956 178.446 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 47' ' ' VAL . . . . . 0.454 HG23 ' O ' ' B' ' 43' ' ' PRO . 94.8 t -60.83 -41.98 90.71 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.23 0 CA-C-O 121.443 0.64 . . . . 0.0 109.363 177.049 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 48' ' ' LEU . . . . . 0.43 HD12 ' HA ' ' B' ' 48' ' ' LEU . 5.6 tp -65.23 -38.85 91.7 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.007 -0.997 . . . . 0.0 110.453 178.39 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -68.13 -45.05 74.71 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.245 178.094 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 50' ' ' ILE . . . . . 0.628 HG13 ' O ' ' B' ' 46' ' ' MET . 66.8 mt -63.76 -32.78 58.29 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-O 121.064 0.459 . . . . 0.0 109.936 178.299 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 51' ' ' LEU . . . . . 0.516 ' O ' ' HG2' ' B' ' 55' ' ' ARG . 12.5 tp -57.28 -58.45 8.18 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.238 175.888 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -57.15 -39.56 75.48 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.019 -179.681 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 53' ' ' PHE . . . . . . . . . . . . . 84.9 t80 -52.78 -58.94 5.24 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.662 -0.699 . . . . 0.0 109.917 174.461 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 54' ' ' LEU . . . . . 0.439 HD13 ' H ' ' B' ' 62' ' ' SER . 92.1 mt -68.33 -11.6 59.77 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.997 -177.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 55' ' ' ARG . . . . . 0.516 ' HG2' ' O ' ' B' ' 51' ' ' LEU . 26.4 mmm180 -82.42 -40.3 21.41 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.868 0.366 . . . . 0.0 111.374 178.249 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 56' ' ' PHE . . . . . 0.515 ' CZ ' ' HA ' ' A' ' 84' ' ' PHE . 60.6 m-85 -105.57 -8.81 17.76 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 112.055 0.391 . . . . 0.0 112.055 -175.589 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 57' ' ' THR . . . . . 0.479 ' HA ' ' HG3' ' A' ' 46' ' ' MET . 47.8 p -102.15 -32.13 10.25 Favored 'General case' 0 C--N 1.325 -0.459 0 C-N-CA 120.252 -0.579 . . . . 0.0 110.979 174.773 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -131.88 -179.0 5.13 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.106 -173.377 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 59' ' ' ILE . . . . . . . . . . . . . 49.2 mm -115.8 120.97 66.34 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 N-CA-C 109.339 -0.615 . . . . 0.0 109.339 176.201 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 88.1 tttt 66.62 103.67 0.03 OUTLIER Pre-proline 0 N--CA 1.462 0.174 0 O-C-N 123.923 0.764 . . . . 0.0 111.082 -177.242 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 61' ' ' PRO . . . . . . . . . . . . . 31.4 Cg_exo -61.9 151.7 79.52 Favored 'Trans proline' 0 C--O 1.233 0.271 0 C-N-CA 122.83 2.353 . . . . 0.0 112.08 177.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 62' ' ' SER . . . . . 0.439 ' H ' HD13 ' B' ' 54' ' ' LEU . 33.0 t -58.68 139.03 56.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.487 178.896 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 83.9 mt -61.75 -23.36 66.11 Favored 'General case' 0 C--O 1.224 -0.257 0 CA-C-N 115.275 -0.875 . . . . 0.0 112.145 -172.157 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -61.77 -43.16 99.6 Favored Glycine 0 C--O 1.237 0.286 0 C-N-CA 120.368 -0.92 . . . . 0.0 111.633 175.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 65' ' ' LEU . . . . . 0.435 ' O ' ' HB2' ' B' ' 69' ' ' TRP . 3.3 mm? -68.68 -38.87 80.68 Favored 'General case' 0 C--O 1.221 -0.431 0 N-CA-C 109.689 -0.486 . . . . 0.0 109.689 176.157 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 66' ' ' ILE . . . . . . . . . . . . . 48.5 mm -64.24 -36.3 76.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.159 179.499 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 67' ' ' ASN . . . . . . . . . . . . . 86.2 m-20 -71.14 -38.69 72.25 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.272 179.801 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 68' ' ' ARG . . . . . . . . . . . . . 70.8 ttt180 -87.71 -8.34 56.22 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.475 0.655 . . . . 0.0 110.095 -179.559 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 69' ' ' TRP . . . . . 0.677 ' NE1' HD11 ' A' ' 95' ' ' ILE . 18.0 t90 -57.36 -41.6 80.43 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 114.971 -1.013 . . . . 0.0 110.863 -179.722 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . -81.82 -1.21 90.16 Favored Glycine 0 N--CA 1.45 -0.4 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.595 -178.913 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 71' ' ' SER . . . . . . . . . . . . . 22.8 t -89.03 -12.35 41.59 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.745 0.307 . . . . 0.0 110.343 -179.682 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 72' ' ' VAL . . . . . . . . . . . . . 30.9 t -63.5 143.65 15.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 N-CA-C 108.785 -0.821 . . . . 0.0 108.785 174.302 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 73' ' ' GLY . . . . . 0.477 ' C ' ' HG2' ' B' ' 74' ' ' LYS . . . -72.7 17.77 1.51 Allowed Glycine 0 C--O 1.225 -0.466 0 CA-C-O 118.765 -1.02 . . . . 0.0 114.52 -170.427 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 74' ' ' LYS . . . . . 0.483 ' HE2' ' HB3' ' A' ' 99' ' ' LYS . 2.1 ptpp? 50.92 -65.76 0.0 OUTLIER 'General case' 0 N--CA 1.485 1.315 0 C-N-CA 125.23 1.412 . . . . 0.0 113.763 178.726 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 75' ' ' LYS . . . . . 0.462 ' N ' ' O ' ' B' ' 73' ' ' GLY . 1.3 tmtp? -54.76 -51.36 65.94 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 121.679 0.752 . . . . 0.0 108.986 169.655 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 76' ' ' GLU . . . . . 0.505 ' OE1' HD12 ' B' ' 44' ' ' ILE . 9.8 tt0 -47.84 -47.32 31.44 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 114.372 -1.285 . . . . 0.0 110.796 171.457 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 77' ' ' ALA . . . . . . . . . . . . . . . -61.32 -35.56 77.72 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.873 -0.603 . . . . 0.0 111.157 -179.186 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 78' ' ' MET . . . . . 0.43 ' HG3' ' O ' ' B' ' 74' ' ' LYS . 65.3 mtt -58.11 -44.88 87.94 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 109.868 -0.419 . . . . 0.0 109.868 176.885 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 79' ' ' GLU . . . . . . . . . . . . . 34.8 mm-40 -64.42 -43.99 92.63 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.529 -0.759 . . . . 0.0 111.044 177.842 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 80' ' ' ILE . . . . . 0.472 HD13 ' HA ' ' B' ' 45' ' ' ARG . 73.5 mt -61.96 -52.22 63.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.031 -0.532 . . . . 0.0 110.87 179.206 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 81' ' ' ILE . . . . . . . . . . . . . 40.7 mm -61.1 -34.84 61.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 115.976 -0.557 . . . . 0.0 110.791 -179.415 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 82' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.96 -51.85 67.49 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.102 177.311 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 83' ' ' LYS . . . . . . . . . . . . . 60.2 mtpt -65.29 -34.39 78.23 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.711 178.755 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 84' ' ' PHE . . . . . 0.532 ' O ' ' HG ' ' B' ' 88' ' ' LEU . 1.6 t80 -60.31 -52.23 66.13 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.007 179.345 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 85' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -63.67 -35.25 79.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.925 -0.58 . . . . 0.0 111.153 179.295 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 86' ' ' LYS . . . . . . . . . . . . . 97.2 mttt -64.34 -45.09 89.37 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.995 178.285 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 87' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -67.64 -38.76 84.32 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.986 0.422 . . . . 0.0 110.071 -178.502 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 88' ' ' LEU . . . . . 0.532 ' HG ' ' O ' ' B' ' 84' ' ' PHE . 91.6 mt -60.35 -40.33 90.34 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.705 176.45 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 89' ' ' ALA . . . . . 0.476 ' O ' ' HG3' ' B' ' 93' ' ' ARG . . . -62.03 -46.8 87.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.896 -179.653 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 90' ' ' ALA . . . . . 0.479 ' O ' HG13 ' B' ' 94' ' ' ILE . . . -63.39 -47.28 82.66 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.884 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 91' ' ' MET . . . . . 0.545 ' O ' HG12 ' B' ' 95' ' ' ILE . 0.0 OUTLIER -61.34 -38.68 87.81 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.262 -179.556 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 92' ' ' LEU . . . . . . . . . . . . . 51.4 tp -58.82 -46.65 87.17 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.121 0.486 . . . . 0.0 110.847 177.217 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 93' ' ' ARG . . . . . 0.476 ' HG3' ' O ' ' B' ' 89' ' ' ALA . 90.4 mtt180 -61.03 -35.99 78.36 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.68 -179.765 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 94' ' ' ILE . . . . . 0.589 ' O ' ' HG3' ' B' ' 98' ' ' ARG . 60.5 mt -69.02 -36.93 76.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.805 179.124 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 95' ' ' ILE . . . . . 0.683 HD11 ' NE1' ' A' ' 69' ' ' TRP . 26.2 mm -57.32 -45.35 85.15 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.193 0 CA-C-O 121.24 0.543 . . . . 0.0 109.831 176.767 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 96' ' ' ASN . . . . . 0.581 ' O ' ' HG2' ' B' ' 99' ' ' LYS . 78.9 m-20 -60.69 -38.63 85.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.291 -0.868 . . . . 0.0 110.506 178.248 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 97' ' ' ALA . . . . . . . . . . . . . . . -74.63 -3.22 29.89 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.888 -0.596 . . . . 0.0 111.648 -178.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 98' ' ' ARG . . . . . 0.589 ' HG3' ' O ' ' B' ' 94' ' ' ILE . 59.5 mtp180 -99.46 10.76 40.78 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 111.761 0.282 . . . . 0.0 111.761 -179.521 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 99' ' ' LYS . . . . . 0.581 ' HG2' ' O ' ' B' ' 96' ' ' ASN . 61.3 pttt -80.95 -43.13 20.2 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 108.879 -0.785 . . . . 0.0 108.879 170.934 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 100' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 47.31 45.25 16.67 Favored 'General case' 0 C--O 1.236 0.356 0 O-C-N 123.789 0.68 . . . . 0.0 111.345 177.691 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 101' ' ' LYS . . . . . . . . . . . . . 58.7 pttt -144.44 -161.62 1.32 Allowed 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.232 178.831 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 102' ' ' LYS . . . . . . . . . . . . . 18.6 ptpt -56.46 156.24 6.27 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.469 0.652 . . . . 0.0 111.811 179.869 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 103' ' ' ARG . . . . . . . . . . . . . 34.9 ptt180 -108.74 35.16 3.32 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.505 -0.771 . . . . 0.0 110.032 178.794 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 104' ' ' ARG . . . . . . . . . . . . . 33.8 mmt180 . . . . . 0 C--O 1.249 1.032 0 CA-C-N 115.518 -0.765 . . . . 0.0 110.409 -179.348 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 0.994 0 CA-C-O 120.885 0.374 . . . . 0.0 110.408 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -61.37 -34.13 87.13 Favored Glycine 0 N--CA 1.449 -0.442 0 CA-C-N 115.998 -0.546 . . . . 0.0 113.019 -175.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 10.1 mp -75.77 -12.48 60.19 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 120.784 0.326 . . . . 0.0 111.319 -178.445 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 58.4 tp -94.56 -38.48 10.86 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.921 0.391 . . . . 0.0 110.466 -179.514 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -89.69 -13.86 36.02 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.253 -178.782 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 85.28 34.95 12.93 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.819 -0.705 . . . . 0.0 112.022 179.522 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 29.1 t-80 -139.87 82.95 1.9 Allowed 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.055 0.455 . . . . 0.0 110.107 -177.097 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -99.38 157.63 19.93 Favored Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.891 -0.671 . . . . 0.0 111.653 179.565 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.406 ' O ' HG23 ' A' ' 47' ' ' VAL . 51.5 Cg_exo -55.6 168.91 1.37 Allowed 'Trans proline' 0 CA--C 1.532 0.413 0 C-N-CA 123.147 2.565 . . . . 0.0 113.111 -179.606 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.614 ' HB ' HG13 ' A' ' 72' ' ' VAL . 24.9 pt -54.31 -41.48 52.89 Favored 'Isoleucine or valine' 0 C--O 1.243 0.724 0 N-CA-C 112.649 0.611 . . . . 0.0 112.649 -171.203 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.502 ' HA ' ' CD1' ' A' ' 80' ' ' ILE . 55.9 mtp180 -61.93 -40.79 96.72 Favored 'General case' 0 C--O 1.236 0.364 0 CA-C-O 121.366 0.603 . . . . 0.0 110.17 177.647 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . 0.642 ' O ' HG13 ' A' ' 50' ' ' ILE . 1.8 mpt? -68.21 -30.56 69.66 Favored 'General case' 0 C--O 1.219 -0.536 0 CA-C-N 115.509 -0.769 . . . . 0.0 110.601 177.312 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.409 ' HB ' ' O ' ' A' ' 44' ' ' ILE . 95.7 t -56.21 -47.41 80.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 N-CA-C 110.287 -0.264 . . . . 0.0 110.287 177.22 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 7.3 mp -65.46 -37.02 85.63 Favored 'General case' 0 C--N 1.33 -0.27 0 C-N-CA 120.71 -0.396 . . . . 0.0 111.328 176.918 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -64.14 -44.48 92.02 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.905 0.384 . . . . 0.0 110.976 177.32 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.642 HG13 ' O ' ' A' ' 46' ' ' MET . 59.5 mt -66.0 -34.66 71.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.024 178.222 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.529 HD22 ' NE1' ' A' ' 69' ' ' TRP . 4.5 tp -58.37 -54.86 42.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.464 175.839 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -54.8 -43.33 72.81 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.383 179.814 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 74.1 t80 -53.24 -59.83 4.07 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.55 -0.75 . . . . 0.0 109.956 174.044 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 95.7 mt -66.5 -8.71 28.3 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 112.639 0.607 . . . . 0.0 112.639 -175.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.479 ' HG2' ' O ' ' A' ' 51' ' ' LEU . 17.6 mmm180 -94.38 -40.67 9.81 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.856 0.36 . . . . 0.0 111.351 178.305 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 73.2 m-85 -94.34 -15.64 24.22 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.505 -177.325 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . 0.507 ' HA ' ' HG3' ' B' ' 46' ' ' MET . 34.1 p -103.83 -33.42 8.89 Favored 'General case' 0 C--N 1.325 -0.468 0 C-N-CA 120.515 -0.474 . . . . 0.0 111.038 177.725 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -128.56 179.56 5.6 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.016 0.436 . . . . 0.0 111.206 -173.855 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 3.4 mp -116.23 122.26 69.31 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 N-CA-C 109.084 -0.71 . . . . 0.0 109.084 175.483 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 53.2 tttm 65.82 104.19 0.03 OUTLIER Pre-proline 0 C--O 1.234 0.284 0 O-C-N 123.829 0.706 . . . . 0.0 111.822 -178.462 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 22.3 Cg_exo -65.88 152.35 81.72 Favored 'Trans proline' 0 C--O 1.235 0.374 0 C-N-CA 122.699 2.266 . . . . 0.0 111.386 174.225 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 27.9 t -60.51 142.03 55.78 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.282 178.462 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 86.6 mt -64.55 -16.64 62.94 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.568 -0.742 . . . . 0.0 112.264 -172.538 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -65.15 -47.81 77.17 Favored Glycine 0 N--CA 1.449 -0.457 0 C-N-CA 120.613 -0.803 . . . . 0.0 111.326 174.166 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.448 ' O ' ' HB2' ' A' ' 69' ' ' TRP . 3.2 mm? -66.15 -36.39 82.99 Favored 'General case' 0 C--O 1.222 -0.351 0 N-CA-C 109.78 -0.452 . . . . 0.0 109.78 176.779 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 45.4 mm -64.02 -37.99 81.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.036 179.125 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 -65.79 -44.37 85.94 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.704 179.131 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.408 ' O ' HG23 ' A' ' 72' ' ' VAL . 67.5 ttt180 -81.46 -17.9 47.1 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.0 0.428 . . . . 0.0 110.371 -177.548 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' TRP . . . . . 0.529 ' NE1' HD22 ' A' ' 51' ' ' LEU . 19.0 t90 -54.75 -53.06 60.05 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.403 -0.817 . . . . 0.0 110.772 177.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -82.33 15.61 28.09 Favored Glycine 0 N--CA 1.449 -0.443 0 C-N-CA 120.839 -0.696 . . . . 0.0 112.211 178.636 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 19.6 m -122.07 11.98 10.31 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.302 0.573 . . . . 0.0 110.082 179.034 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.614 HG13 ' HB ' ' A' ' 44' ' ' ILE . 46.1 t -81.93 -15.58 12.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 122.281 1.039 . . . . 0.0 111.12 -178.83 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 83.9 115.85 0.64 Allowed Glycine 0 C--N 1.302 -1.322 0 CA-C-N 114.203 -1.362 . . . . 0.0 110.019 -169.466 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.61 ' O ' ' HG3' ' A' ' 78' ' ' MET . 9.8 ptpp? -63.84 -21.58 66.51 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.062 0.458 . . . . 0.0 110.056 -176.794 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 21.4 tptm -66.39 -54.82 20.03 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.082 172.75 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.496 ' O ' HG13 ' A' ' 80' ' ' ILE . 14.5 tp10 -57.18 -43.23 82.45 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.441 -0.8 . . . . 0.0 109.68 176.813 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.548 ' O ' HG12 ' A' ' 81' ' ' ILE . . . -55.58 -44.86 77.31 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.527 -0.761 . . . . 0.0 111.156 178.713 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . 0.61 ' HG3' ' O ' ' A' ' 74' ' ' LYS . 67.8 mtt -58.15 -43.05 87.15 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-O 120.999 0.428 . . . . 0.0 110.541 178.6 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -68.62 -38.06 80.23 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.816 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.502 ' CD1' ' HA ' ' A' ' 45' ' ' ARG . 86.9 mt -63.28 -50.16 80.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.38 176.82 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.548 HG12 ' O ' ' A' ' 77' ' ' ALA . 48.4 mm -60.52 -40.75 85.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.685 -179.861 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 24.8 ttmm -59.06 -50.97 72.06 Favored 'General case' 0 C--O 1.237 0.417 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.666 178.241 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 63.2 tttm -66.88 -38.95 87.27 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.523 179.872 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . 0.607 ' O ' ' HG ' ' A' ' 88' ' ' LEU . 0.3 OUTLIER -56.06 -52.67 63.43 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.015 -0.538 . . . . 0.0 110.302 -179.606 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -61.94 -36.2 80.7 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.917 179.658 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 39.7 ttmt -65.8 -48.63 71.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.615 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . 0.578 ' O ' ' HG2' ' A' ' 91' ' ' MET . 1.5 m-20 -63.39 -39.83 95.58 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.69 177.868 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.607 ' HG ' ' O ' ' A' ' 84' ' ' PHE . 85.0 mt -58.73 -43.08 90.08 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.903 0.382 . . . . 0.0 110.818 179.398 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -62.76 -41.49 99.24 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.6 178.424 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . 0.573 ' O ' HG13 ' A' ' 94' ' ' ILE . . . -65.49 -44.28 87.55 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.619 178.433 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' MET . . . . . 0.578 ' HG2' ' O ' ' A' ' 87' ' ' ASP . 25.6 mmt -61.33 -41.21 96.65 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.677 179.491 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 55.8 tp -57.6 -45.21 85.6 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.169 0.509 . . . . 0.0 110.496 177.871 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 96.5 mtt180 -60.87 -34.36 74.5 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.57 177.713 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 0.573 HG13 ' O ' ' A' ' 90' ' ' ALA . 48.3 mt -73.92 -32.69 34.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.879 178.904 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.507 HG12 ' O ' ' A' ' 91' ' ' MET . 18.5 mm -56.15 -43.07 74.99 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.287 0 CA-C-O 121.363 0.601 . . . . 0.0 109.562 174.283 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 35.0 m-80 -60.78 -43.07 98.53 Favored 'General case' 0 C--O 1.237 0.395 0 CA-C-N 115.298 -0.865 . . . . 0.0 110.357 174.588 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -68.51 -24.07 64.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.469 -0.787 . . . . 0.0 111.96 -178.508 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . 0.551 ' HG2' ' O ' ' A' ' 94' ' ' ILE . 27.1 mmm180 -85.25 13.01 6.94 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.878 0.37 . . . . 0.0 111.012 -177.719 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.2 -57.8 0.96 Allowed 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.995 -179.057 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -169.7 -43.29 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.692 -176.583 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 47.1 mmtm -80.41 56.66 2.6 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.74 -175.635 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.17 59.71 2.83 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.508 0.671 . . . . 0.0 110.37 173.431 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . 0.425 ' HA ' ' NH1' ' A' ' 104' ' ' ARG . 9.7 ptm180 -129.3 -179.83 5.36 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.372 -0.831 . . . . 0.0 110.622 -176.531 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . 0.466 ' HG2' ' O ' ' A' ' 104' ' ' ARG . 0.2 OUTLIER . . . . . 0 C--O 1.247 0.943 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.278 177.654 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.018 0 CA-C-O 120.869 0.366 . . . . 0.0 110.394 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 36' ' ' GLY . . . . . . . . . . . . . . . -61.77 -34.18 87.78 Favored Glycine 0 N--CA 1.45 -0.425 0 CA-C-N 116.091 -0.504 . . . . 0.0 113.043 -176.167 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 10.1 mp -76.06 -11.84 60.02 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-O 120.701 0.286 . . . . 0.0 111.274 -178.383 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 58.3 tp -95.19 -38.32 10.64 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.819 0.342 . . . . 0.0 110.4 -179.675 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -89.9 -13.96 35.25 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.246 -178.799 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . 85.65 34.85 12.59 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.788 -0.72 . . . . 0.0 111.903 179.331 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 41' ' ' HIS . . . . . . . . . . . . . 29.1 t-80 -140.02 83.06 1.9 Allowed 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 120.999 0.428 . . . . 0.0 110.05 -177.022 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 42' ' ' GLY . . . . . . . . . . . . . . . -99.49 157.71 19.87 Favored Glycine 0 N--CA 1.449 -0.436 0 C-N-CA 120.867 -0.682 . . . . 0.0 111.539 179.478 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 43' ' ' PRO . . . . . . . . . . . . . 51.5 Cg_exo -55.78 168.74 1.56 Allowed 'Trans proline' 0 C--N 1.346 0.411 0 C-N-CA 123.168 2.578 . . . . 0.0 113.073 -179.629 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . 0.615 ' HB ' HG13 ' B' ' 72' ' ' VAL . 25.0 pt -54.07 -41.67 51.51 Favored 'Isoleucine or valine' 0 C--O 1.242 0.684 0 N-CA-C 112.665 0.617 . . . . 0.0 112.665 -171.245 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 45' ' ' ARG . . . . . 0.505 ' HA ' ' CD1' ' B' ' 80' ' ' ILE . 55.9 mtp180 -61.81 -40.9 96.88 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-O 121.339 0.59 . . . . 0.0 110.109 177.624 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 46' ' ' MET . . . . . 0.626 ' O ' HG13 ' B' ' 50' ' ' ILE . 1.8 mpt? -68.23 -30.47 69.54 Favored 'General case' 0 C--O 1.219 -0.525 0 CA-C-N 115.547 -0.752 . . . . 0.0 110.604 177.438 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 47' ' ' VAL . . . . . 0.419 ' HB ' ' O ' ' B' ' 44' ' ' ILE . 95.1 t -56.22 -47.46 80.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.63 0.252 . . . . 0.0 110.354 177.199 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 7.3 mp -65.36 -37.12 86.07 Favored 'General case' 0 N--CA 1.464 0.249 0 C-N-CA 120.752 -0.379 . . . . 0.0 111.344 176.746 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -64.02 -44.46 92.49 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.917 0.389 . . . . 0.0 111.036 177.248 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 50' ' ' ILE . . . . . 0.626 HG13 ' O ' ' B' ' 46' ' ' MET . 59.9 mt -65.91 -34.74 72.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.019 178.271 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 51' ' ' LEU . . . . . 0.528 HD22 ' NE1' ' B' ' 69' ' ' TRP . 4.5 tp -58.45 -54.81 42.84 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.442 175.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -54.65 -43.54 72.46 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-N 115.998 -0.547 . . . . 0.0 110.434 179.705 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 53' ' ' PHE . . . . . . . . . . . . . 74.1 t80 -53.12 -59.8 4.09 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.452 -0.795 . . . . 0.0 109.973 174.049 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 54' ' ' LEU . . . . . . . . . . . . . 95.7 mt -66.6 -8.51 27.64 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 112.576 0.584 . . . . 0.0 112.576 -175.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 55' ' ' ARG . . . . . 0.473 ' HG2' ' O ' ' B' ' 51' ' ' LEU . 17.6 mmm180 -94.81 -40.16 9.89 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.883 0.373 . . . . 0.0 111.475 178.328 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 56' ' ' PHE . . . . . . . . . . . . . 73.1 m-85 -94.86 -15.25 23.85 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.365 -0.379 . . . . 0.0 111.49 -177.529 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 57' ' ' THR . . . . . 0.497 ' HA ' ' HG3' ' A' ' 46' ' ' MET . 34.0 p -104.08 -33.52 8.74 Favored 'General case' 0 C--N 1.326 -0.448 0 C-N-CA 120.528 -0.469 . . . . 0.0 111.031 177.574 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -128.43 179.48 5.63 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.164 0.507 . . . . 0.0 111.134 -173.843 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 59' ' ' ILE . . . . . . . . . . . . . 3.3 mp -116.07 122.2 69.11 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-N 115.616 -0.72 . . . . 0.0 109.237 175.249 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 53.2 tttm 65.69 104.51 0.03 OUTLIER Pre-proline 0 C--O 1.234 0.276 0 O-C-N 123.919 0.762 . . . . 0.0 111.804 -178.305 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 61' ' ' PRO . . . . . . . . . . . . . 21.9 Cg_exo -66.13 151.8 82.78 Favored 'Trans proline' 0 C--O 1.236 0.394 0 C-N-CA 122.693 2.262 . . . . 0.0 111.467 174.044 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 24.6 t -59.88 141.64 55.07 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.262 178.458 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 87.2 mt -64.5 -16.41 62.47 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.644 -0.707 . . . . 0.0 112.069 -172.565 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -65.28 -47.44 80.02 Favored Glycine 0 N--CA 1.449 -0.439 0 C-N-CA 120.484 -0.865 . . . . 0.0 111.361 174.18 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 65' ' ' LEU . . . . . 0.441 ' O ' ' HB2' ' B' ' 69' ' ' TRP . 3.2 mm? -66.52 -36.46 82.75 Favored 'General case' 0 C--O 1.221 -0.424 0 N-CA-C 109.753 -0.462 . . . . 0.0 109.753 176.674 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 66' ' ' ILE . . . . . . . . . . . . . 45.4 mm -64.01 -37.71 80.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.044 179.184 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 67' ' ' ASN . . . . . . . . . . . . . 3.9 t-20 -66.03 -44.35 84.95 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.616 179.033 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 68' ' ' ARG . . . . . . . . . . . . . 67.2 ttt180 -81.35 -17.93 47.4 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.051 0.453 . . . . 0.0 110.4 -177.513 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 69' ' ' TRP . . . . . 0.528 ' NE1' HD22 ' B' ' 51' ' ' LEU . 19.0 t90 -54.86 -53.08 59.96 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.337 -0.847 . . . . 0.0 110.753 178.066 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . -81.87 15.0 28.71 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.82 -0.705 . . . . 0.0 112.168 178.54 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 71' ' ' SER . . . . . . . . . . . . . 19.9 m -121.97 12.63 10.47 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.106 0.479 . . . . 0.0 110.167 179.135 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 72' ' ' VAL . . . . . 0.615 HG13 ' HB ' ' B' ' 44' ' ' ILE . 45.1 t -82.49 -15.47 11.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-O 122.237 1.018 . . . . 0.0 111.074 -179.036 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 73' ' ' GLY . . . . . . . . . . . . . . . 83.83 115.92 0.63 Allowed Glycine 0 C--N 1.302 -1.317 0 CA-C-N 114.164 -1.38 . . . . 0.0 110.083 -169.51 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 74' ' ' LYS . . . . . 0.595 ' O ' ' HG3' ' B' ' 78' ' ' MET . 9.8 ptpp? -63.43 -21.96 66.6 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 117.033 0.417 . . . . 0.0 110.198 -176.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 75' ' ' LYS . . . . . . . . . . . . . 21.6 tptm -66.26 -54.84 20.19 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.031 172.805 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 76' ' ' GLU . . . . . 0.494 ' O ' HG13 ' B' ' 80' ' ' ILE . 13.9 tp10 -57.22 -42.98 82.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.483 -0.78 . . . . 0.0 109.698 176.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 77' ' ' ALA . . . . . 0.553 ' O ' HG12 ' B' ' 81' ' ' ILE . . . -55.74 -44.93 78.03 Favored 'General case' 0 N--CA 1.454 -0.25 0 CA-C-N 115.531 -0.759 . . . . 0.0 111.163 178.572 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 78' ' ' MET . . . . . 0.595 ' HG3' ' O ' ' B' ' 74' ' ' LYS . 68.0 mtt -58.0 -43.09 86.44 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-O 120.854 0.359 . . . . 0.0 110.525 178.665 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 79' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -68.53 -38.22 80.68 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.748 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 80' ' ' ILE . . . . . 0.505 ' CD1' ' HA ' ' B' ' 45' ' ' ARG . 87.2 mt -63.3 -50.26 79.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.424 176.852 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 81' ' ' ILE . . . . . 0.553 HG12 ' O ' ' B' ' 77' ' ' ALA . 48.4 mm -60.44 -40.43 84.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.796 -179.906 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 82' ' ' LYS . . . . . . . . . . . . . 24.8 ttmm -59.43 -50.97 71.88 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.547 178.199 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 83' ' ' LYS . . . . . . . . . . . . . 63.1 tttm -66.85 -38.82 87.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.522 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 84' ' ' PHE . . . . . 0.606 ' O ' ' HG ' ' B' ' 88' ' ' LEU . 0.3 OUTLIER -56.24 -52.64 63.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.251 -179.51 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 85' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -61.8 -36.66 81.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.824 179.578 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 86' ' ' LYS . . . . . . . . . . . . . 39.6 ttmt -65.27 -49.16 70.65 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.708 179.812 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 87' ' ' ASP . . . . . 0.587 ' O ' ' HG2' ' B' ' 91' ' ' MET . 1.3 m-20 -63.09 -39.68 95.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.75 177.796 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 88' ' ' LEU . . . . . 0.606 ' HG ' ' O ' ' B' ' 84' ' ' PHE . 84.9 mt -58.79 -43.15 90.39 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-O 120.884 0.373 . . . . 0.0 110.824 179.368 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -62.86 -41.37 99.35 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.531 178.61 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 90' ' ' ALA . . . . . 0.568 ' O ' HG13 ' B' ' 94' ' ' ILE . . . -65.44 -44.39 87.44 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.673 178.357 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 91' ' ' MET . . . . . 0.587 ' HG2' ' O ' ' B' ' 87' ' ' ASP . 25.7 mmt -61.3 -41.14 96.49 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.681 179.402 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 92' ' ' LEU . . . . . . . . . . . . . 55.9 tp -57.58 -45.15 85.59 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.173 0.511 . . . . 0.0 110.506 177.737 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 93' ' ' ARG . . . . . . . . . . . . . 96.1 mtt180 -61.01 -34.33 74.66 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.521 177.785 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 94' ' ' ILE . . . . . 0.568 HG13 ' O ' ' B' ' 90' ' ' ALA . 48.0 mt -73.97 -32.59 33.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.783 178.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 95' ' ' ILE . . . . . 0.513 HD11 ' NE1' ' A' ' 69' ' ' TRP . 18.5 mm -56.19 -43.17 75.57 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.331 0 CA-C-O 121.337 0.589 . . . . 0.0 109.603 174.295 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 96' ' ' ASN . . . . . 0.403 ' OD1' ' HD3' ' A' ' 74' ' ' LYS . 35.3 m-80 -60.69 -42.98 98.23 Favored 'General case' 0 C--O 1.236 0.393 0 CA-C-N 115.288 -0.869 . . . . 0.0 110.346 174.629 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 97' ' ' ALA . . . . . . . . . . . . . . . -68.23 -24.95 64.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.5 -0.773 . . . . 0.0 111.933 -178.511 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 98' ' ' ARG . . . . . 0.542 ' HG2' ' O ' ' B' ' 94' ' ' ILE . 27.3 mmm180 -84.46 12.59 6.62 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.92 0.391 . . . . 0.0 111.013 -177.447 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 99' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.95 -57.82 0.97 Allowed 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.991 -178.896 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 100' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -169.64 -43.31 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.723 -176.474 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 101' ' ' LYS . . . . . . . . . . . . . 47.1 mmtm -80.49 56.89 2.7 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.744 -175.755 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 102' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.34 59.23 2.8 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.639 -0.71 . . . . 0.0 110.452 173.477 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 103' ' ' ARG . . . . . 0.435 ' HA ' ' NH1' ' B' ' 104' ' ' ARG . 9.6 ptm180 -128.83 -179.72 5.25 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.224 -0.898 . . . . 0.0 110.778 -176.47 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 104' ' ' ARG . . . . . 0.456 ' HG2' ' O ' ' B' ' 104' ' ' ARG . 0.2 OUTLIER . . . . . 0 C--O 1.246 0.883 0 CA-C-N 116.124 -0.489 . . . . 0.0 109.965 177.544 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 0.992 0 CA-C-O 121.042 0.449 . . . . 0.0 110.117 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -60.77 -35.55 90.14 Favored Glycine 0 N--CA 1.451 -0.365 0 CA-C-N 115.914 -0.585 . . . . 0.0 113.544 -174.034 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -81.4 -17.56 48.54 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 120.778 0.323 . . . . 0.0 110.83 -177.242 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 6.7 tt -90.32 -44.34 9.76 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 109.821 -0.437 . . . . 0.0 109.821 -177.863 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -87.32 -16.18 35.83 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.069 -179.194 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 80.17 15.93 77.62 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.742 -0.742 . . . . 0.0 111.995 179.835 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 69.4 m-70 -114.0 108.12 16.59 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.735 0.302 . . . . 0.0 110.386 -179.181 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -100.99 130.17 10.14 Favored Glycine 0 N--CA 1.445 -0.739 0 C-N-CA 120.649 -0.786 . . . . 0.0 112.525 -177.738 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.551 ' HD2' ' SD ' ' A' ' 46' ' ' MET . 43.9 Cg_endo -68.51 174.15 8.78 Favored 'Trans proline' 0 N--CA 1.463 -0.281 0 C-N-CA 122.658 2.239 . . . . 0.0 111.792 175.365 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 21.3 pt -49.59 -39.83 14.53 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.416 0 N-CA-C 113.023 0.749 . . . . 0.0 113.023 -173.29 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.511 ' HA ' HD13 ' A' ' 80' ' ' ILE . 98.5 mtt180 -63.73 -44.62 93.02 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 121.272 0.558 . . . . 0.0 110.826 179.545 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . 0.602 ' HG2' ' HA ' ' B' ' 57' ' ' THR . 62.2 mtp -72.18 -23.29 61.25 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.971 179.764 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.514 HG23 ' O ' ' A' ' 43' ' ' PRO . 93.0 t -63.31 -48.01 89.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.418 -0.356 . . . . 0.0 110.294 175.258 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 64.6 mt -66.95 -32.74 74.2 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.474 -0.33 . . . . 0.0 110.688 178.274 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -64.77 -51.65 61.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.174 177.542 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.437 ' O ' ' HB3' ' A' ' 53' ' ' PHE . 15.0 tt -71.38 -24.08 23.52 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 CA-C-O 121.024 0.44 . . . . 0.0 110.295 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.425 ' O ' ' HG2' ' A' ' 55' ' ' ARG . 14.7 tp -60.59 -57.42 12.78 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.074 -0.512 . . . . 0.0 109.864 174.839 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -58.78 -38.06 77.68 Favored 'General case' 0 CA--C 1.519 -0.213 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.494 178.709 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.477 ' HB2' ' HB2' ' B' ' 53' ' ' PHE . 43.0 t80 -51.3 -61.18 2.39 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.61 -0.723 . . . . 0.0 109.883 173.517 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 91.3 mt -68.12 -16.31 63.95 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.91 -177.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.425 ' HG2' ' O ' ' A' ' 51' ' ' LEU . 23.9 mmm180 -75.39 -46.31 33.75 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.023 0.44 . . . . 0.0 111.271 177.647 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . 0.622 ' CZ ' ' HA ' ' B' ' 84' ' ' PHE . 89.2 m-85 -96.24 -6.4 38.13 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.539 -174.645 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . 0.608 ' HA ' ' HG2' ' B' ' 46' ' ' MET . 81.6 p -102.38 -34.36 9.21 Favored 'General case' 0 C--N 1.325 -0.484 0 C-N-CA 120.523 -0.471 . . . . 0.0 111.185 175.105 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -135.87 -176.61 4.36 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.575 -171.456 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 70.5 mt -116.19 127.6 73.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-N 115.719 -0.673 . . . . 0.0 109.913 178.523 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 86.0 tttt 57.32 83.74 0.22 Allowed Pre-proline 0 N--CA 1.465 0.305 0 O-C-N 123.649 0.593 . . . . 0.0 110.158 -177.647 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . 0.432 ' HB2' ' H ' ' A' ' 62' ' ' SER . 81.5 Cg_exo -40.84 -82.32 0.02 OUTLIER 'Trans proline' 0 C--N 1.348 0.549 0 C-N-CA 124.022 3.148 . . . . 0.0 114.778 -168.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.565 ' O ' HG12 ' A' ' 66' ' ' ILE . 71.2 m -166.75 135.84 2.9 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 109.346 -0.613 . . . . 0.0 109.346 -177.317 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -64.4 -31.19 72.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.573 -175.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -68.38 -40.34 87.03 Favored Glycine 0 C--O 1.237 0.342 0 C-N-CA 120.559 -0.829 . . . . 0.0 111.677 177.048 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.489 HD23 ' HB2' ' A' ' 62' ' ' SER . 4.5 mm? -67.79 -38.11 82.91 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 110.174 -0.306 . . . . 0.0 110.174 177.066 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.565 HG12 ' O ' ' A' ' 62' ' ' SER . 48.0 mm -66.48 -32.22 57.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 121.268 0.556 . . . . 0.0 110.339 176.715 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 27.1 t-20 -62.45 -43.71 98.16 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.684 176.685 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 42.3 ttm180 -85.25 -14.95 45.11 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.238 0.542 . . . . 0.0 110.467 -178.793 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' TRP . . . . . 0.519 ' NE1' HD11 ' B' ' 95' ' ' ILE . 13.7 t90 -56.76 -48.32 78.1 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.397 -0.819 . . . . 0.0 110.849 179.358 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -77.96 -3.05 83.96 Favored Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.886 -0.674 . . . . 0.0 112.49 178.581 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 22.7 t -91.45 -14.13 31.07 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 109.672 -0.492 . . . . 0.0 109.672 178.297 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 68.0 t -68.87 130.85 34.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 115.845 -0.616 . . . . 0.0 109.608 175.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -61.16 122.01 28.19 Favored Glycine 0 N--CA 1.44 -1.074 0 N-CA-C 110.456 -1.058 . . . . 0.0 110.456 175.747 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.513 ' O ' ' HG2' ' A' ' 78' ' ' MET . 11.9 ptmm? -59.35 -31.62 69.37 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.692 0.246 . . . . 0.0 111.129 -176.056 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 51.4 tptt -64.34 -47.51 79.08 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.868 0.366 . . . . 0.0 110.13 173.648 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.475 ' O ' HG13 ' A' ' 80' ' ' ILE . 27.9 tp10 -60.11 -44.82 94.59 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.689 -0.687 . . . . 0.0 109.604 177.758 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.414 ' O ' HG12 ' A' ' 81' ' ' ILE . . . -57.09 -43.7 82.44 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.736 178.314 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . 0.513 ' HG2' ' O ' ' A' ' 74' ' ' LYS . 68.9 mmm -55.83 -42.1 75.24 Favored 'General case' 0 C--O 1.235 0.341 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.751 177.579 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -73.61 -40.86 63.49 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.893 -179.722 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.511 HD13 ' HA ' ' A' ' 45' ' ' ARG . 89.9 mt -60.98 -50.77 79.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.574 178.164 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.414 HG12 ' O ' ' A' ' 77' ' ' ALA . 45.9 mm -62.68 -36.63 76.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.018 -178.692 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . 0.436 ' O ' ' HD3' ' A' ' 86' ' ' LYS . 4.5 tmmm? -61.19 -53.48 56.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.94 0.4 . . . . 0.0 110.09 178.167 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 14.7 ptmm? -72.7 -19.98 61.31 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.588 -177.732 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . 0.633 ' HA ' ' CZ ' ' B' ' 56' ' ' PHE . 1.8 t80 -67.94 -52.36 37.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.949 -0.569 . . . . 0.0 109.645 177.448 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -61.9 -39.91 93.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.995 -179.709 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . 0.436 ' HD3' ' O ' ' A' ' 82' ' ' LYS . 5.8 mptp? -64.86 -37.28 87.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.588 -179.609 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -72.95 -37.17 67.21 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 109.854 -0.424 . . . . 0.0 109.854 178.593 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.503 ' HG ' ' O ' ' A' ' 84' ' ' PHE . 94.3 mt -59.48 -44.14 93.11 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.15 175.076 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.538 ' O ' ' HG3' ' A' ' 93' ' ' ARG . . . -61.08 -45.49 94.53 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.733 178.322 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . 0.585 ' O ' HG13 ' A' ' 94' ' ' ILE . . . -60.44 -51.13 70.8 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.898 178.835 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' MET . . . . . 0.433 ' O ' HG12 ' A' ' 95' ' ' ILE . 74.7 mtm -62.8 -35.47 79.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.023 -179.433 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 58.2 tp -59.13 -47.43 85.31 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.045 0.45 . . . . 0.0 110.595 175.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . 0.538 ' HG3' ' O ' ' A' ' 89' ' ' ALA . 21.7 mtm180 -61.05 -32.58 72.21 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.466 178.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 0.625 ' O ' ' HG2' ' A' ' 98' ' ' ARG . 25.4 mt -72.39 -32.46 42.31 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.372 0 C-N-CA 120.807 -0.357 . . . . 0.0 110.693 178.444 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.516 HD11 ' NE1' ' B' ' 69' ' ' TRP . 15.7 mm -56.52 -44.48 80.7 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.424 0 N-CA-C 109.202 -0.666 . . . . 0.0 109.202 173.091 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' ASN . . . . . 0.408 ' HB2' ' O ' ' A' ' 93' ' ' ARG . 36.4 m-80 -57.36 -39.92 76.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.184 -0.916 . . . . 0.0 110.117 174.689 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -78.57 -8.31 58.47 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.505 -0.77 . . . . 0.0 112.55 -177.536 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . 0.625 ' HG2' ' O ' ' A' ' 94' ' ' ILE . 31.5 mmm180 -81.45 -11.6 59.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.974 0.416 . . . . 0.0 110.282 179.079 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 28.0 mtpp -109.34 -76.24 0.61 Allowed 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.726 179.045 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 14.6 pt-20 -157.02 13.24 0.25 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.707 0.289 . . . . 0.0 111.227 -178.325 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 95.5 mttt 59.26 46.13 13.24 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 115.899 -0.591 . . . . 0.0 111.381 -178.573 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 24.9 ttmm -85.55 104.78 15.63 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.177 177.671 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 7.0 mpt_? -85.68 120.43 27.11 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.46 -0.336 . . . . 0.0 110.317 179.012 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . 0.675 ' HD3' ' O ' ' A' ' 104' ' ' ARG . 0.0 OUTLIER . . . . . 0 C--O 1.245 0.86 0 CA-C-O 118.947 -0.549 . . . . 0.0 110.473 178.849 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 0.949 0 CA-C-O 121.112 0.482 . . . . 0.0 110.058 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 36' ' ' GLY . . . . . . . . . . . . . . . -60.56 -35.38 89.06 Favored Glycine 0 N--CA 1.45 -0.382 0 CA-C-N 115.85 -0.614 . . . . 0.0 113.495 -173.881 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -81.36 -18.11 46.75 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 120.809 0.337 . . . . 0.0 110.801 -177.104 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 6.7 tt -89.88 -44.45 9.91 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 109.792 -0.447 . . . . 0.0 109.792 -177.67 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -87.03 -16.55 35.31 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.065 -179.141 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . 80.61 15.18 78.58 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.68 -0.772 . . . . 0.0 112.015 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 41' ' ' HIS . . . . . . . . . . . . . 68.9 m-70 -113.47 108.9 17.82 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.738 0.304 . . . . 0.0 110.325 -179.064 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 42' ' ' GLY . . . . . . . . . . . . . . . -101.69 129.79 10.01 Favored Glycine 0 N--CA 1.444 -0.813 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.514 -177.437 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 43' ' ' PRO . . . . . 0.561 ' HD2' ' SD ' ' B' ' 46' ' ' MET . 43.7 Cg_endo -68.48 173.96 9.03 Favored 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.609 2.206 . . . . 0.0 111.796 175.536 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . 0.417 ' HB ' HG13 ' B' ' 72' ' ' VAL . 21.0 pt -49.61 -39.51 14.26 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.457 0 N-CA-C 113.08 0.77 . . . . 0.0 113.08 -173.033 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 45' ' ' ARG . . . . . 0.495 ' HA ' HD13 ' B' ' 80' ' ' ILE . 98.6 mtt180 -63.91 -44.66 92.27 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.244 0.545 . . . . 0.0 110.813 179.581 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 46' ' ' MET . . . . . 0.608 ' HG2' ' HA ' ' A' ' 57' ' ' THR . 62.5 mtp -72.13 -23.35 61.3 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.984 179.673 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 47' ' ' VAL . . . . . 0.503 HG23 ' O ' ' B' ' 43' ' ' PRO . 92.4 t -63.34 -47.92 89.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.429 -0.351 . . . . 0.0 110.326 175.198 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 64.8 mt -67.03 -32.73 74.14 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.502 -0.317 . . . . 0.0 110.684 178.218 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -64.72 -51.6 61.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.192 177.462 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 50' ' ' ILE . . . . . 0.43 ' O ' ' HB3' ' B' ' 53' ' ' PHE . 14.9 tt -71.46 -24.11 23.41 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-O 121.001 0.429 . . . . 0.0 110.287 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 51' ' ' LEU . . . . . 0.428 ' O ' ' HG2' ' B' ' 55' ' ' ARG . 14.6 tp -60.58 -57.29 13.34 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.129 -0.487 . . . . 0.0 109.829 174.848 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -58.82 -38.17 78.05 Favored 'General case' 0 CA--C 1.518 -0.286 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.459 178.691 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 53' ' ' PHE . . . . . 0.477 ' HB2' ' HB2' ' A' ' 53' ' ' PHE . 42.9 t80 -51.23 -61.1 2.44 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.633 -0.712 . . . . 0.0 109.834 173.569 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 54' ' ' LEU . . . . . . . . . . . . . 92.2 mt -68.22 -16.4 63.96 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.902 -177.804 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 55' ' ' ARG . . . . . 0.428 ' HG2' ' O ' ' B' ' 51' ' ' LEU . 23.9 mmm180 -75.4 -46.31 33.68 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.927 0.394 . . . . 0.0 111.272 177.634 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 56' ' ' PHE . . . . . 0.633 ' CZ ' ' HA ' ' A' ' 84' ' ' PHE . 89.4 m-85 -96.15 -6.38 38.48 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.59 -174.74 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 57' ' ' THR . . . . . 0.602 ' HA ' ' HG2' ' A' ' 46' ' ' MET . 81.7 p -102.19 -34.62 9.19 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.133 0.492 . . . . 0.0 111.211 175.041 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -135.56 -176.95 4.45 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.828 -0.624 . . . . 0.0 111.499 -171.267 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 59' ' ' ILE . . . . . . . . . . . . . 70.2 mt -116.14 127.6 73.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 115.715 -0.675 . . . . 0.0 109.856 178.55 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 86.0 tttt 57.1 83.99 0.21 Allowed Pre-proline 0 N--CA 1.465 0.296 0 O-C-N 123.58 0.55 . . . . 0.0 110.23 -177.46 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 61' ' ' PRO . . . . . . . . . . . . . 82.7 Cg_exo -40.83 -82.66 0.02 OUTLIER 'Trans proline' 0 C--N 1.348 0.547 0 C-N-CA 124.025 3.15 . . . . 0.0 114.8 -169.19 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 62' ' ' SER . . . . . 0.574 ' O ' HG12 ' B' ' 66' ' ' ILE . 72.5 m -166.55 136.17 3.1 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 109.3 -0.629 . . . . 0.0 109.3 -177.443 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -64.58 -31.19 72.3 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.538 -175.833 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -68.27 -40.76 87.36 Favored Glycine 0 N--CA 1.452 -0.237 0 C-N-CA 120.667 -0.777 . . . . 0.0 111.645 176.897 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 65' ' ' LEU . . . . . 0.482 HD23 ' HB2' ' B' ' 62' ' ' SER . 4.5 mm? -67.62 -38.11 83.45 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 110.086 -0.338 . . . . 0.0 110.086 177.192 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 66' ' ' ILE . . . . . 0.574 HG12 ' O ' ' B' ' 62' ' ' SER . 48.3 mm -66.43 -32.28 57.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 121.256 0.55 . . . . 0.0 110.322 176.721 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 67' ' ' ASN . . . . . . . . . . . . . 27.2 t-20 -62.34 -43.82 97.93 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.768 176.606 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 68' ' ' ARG . . . . . . . . . . . . . 42.3 ttm180 -85.26 -14.64 46.05 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.281 0.562 . . . . 0.0 110.491 -178.83 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 69' ' ' TRP . . . . . 0.516 ' NE1' HD11 ' A' ' 95' ' ' ILE . 14.0 t90 -57.11 -48.23 79.13 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.378 -0.828 . . . . 0.0 110.869 179.431 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . -78.08 -3.0 84.36 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.854 -0.689 . . . . 0.0 112.367 178.578 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 71' ' ' SER . . . . . . . . . . . . . 18.9 t -91.54 -14.07 30.97 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 109.68 -0.489 . . . . 0.0 109.68 178.37 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 72' ' ' VAL . . . . . 0.417 HG13 ' HB ' ' B' ' 44' ' ' ILE . 66.4 t -68.58 130.55 33.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 115.824 -0.625 . . . . 0.0 109.571 175.822 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 73' ' ' GLY . . . . . . . . . . . . . . . -60.77 121.95 28.21 Favored Glycine 0 N--CA 1.441 -0.971 0 N-CA-C 110.379 -1.089 . . . . 0.0 110.379 175.496 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 74' ' ' LYS . . . . . 0.518 ' O ' ' HG2' ' B' ' 78' ' ' MET . 11.8 ptmm? -59.56 -31.49 69.48 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.701 0.25 . . . . 0.0 111.203 -175.939 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 75' ' ' LYS . . . . . . . . . . . . . 51.2 tptt -64.36 -47.38 79.5 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.883 0.373 . . . . 0.0 110.203 173.646 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 76' ' ' GLU . . . . . 0.495 ' O ' HG13 ' B' ' 80' ' ' ILE . 26.7 tp10 -60.29 -44.52 95.3 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.697 -0.683 . . . . 0.0 109.716 177.602 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 77' ' ' ALA . . . . . 0.419 ' O ' HG12 ' B' ' 81' ' ' ILE . . . -57.3 -43.62 83.38 Favored 'General case' 0 N--CA 1.456 -0.146 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.785 178.296 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 78' ' ' MET . . . . . 0.518 ' HG2' ' O ' ' B' ' 74' ' ' LYS . 69.1 mmm -55.94 -42.29 75.95 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.675 177.669 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 79' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -73.31 -40.92 64.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.865 -179.685 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 80' ' ' ILE . . . . . 0.495 HD13 ' HA ' ' B' ' 45' ' ' ARG . 90.3 mt -60.96 -50.76 79.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.524 178.227 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 81' ' ' ILE . . . . . 0.419 HG12 ' O ' ' B' ' 77' ' ' ALA . 46.0 mm -62.77 -36.49 75.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.039 -178.673 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 82' ' ' LYS . . . . . 0.424 ' O ' ' HD3' ' B' ' 86' ' ' LYS . 4.5 tmmm? -61.28 -53.65 54.08 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-O 120.986 0.422 . . . . 0.0 110.086 178.105 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 83' ' ' LYS . . . . . . . . . . . . . 14.7 ptmm? -72.42 -20.09 61.48 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.588 -177.873 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 84' ' ' PHE . . . . . 0.622 ' HA ' ' CZ ' ' A' ' 56' ' ' PHE . 1.8 t80 -67.84 -52.51 35.89 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.036 -0.529 . . . . 0.0 109.654 177.46 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 85' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -61.81 -39.95 93.56 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.979 -179.733 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 86' ' ' LYS . . . . . 0.424 ' HD3' ' O ' ' B' ' 82' ' ' LYS . 5.8 mptp? -64.62 -37.67 88.38 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.522 -179.643 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 87' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -72.73 -37.3 67.79 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.911 0.386 . . . . 0.0 109.964 178.733 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 88' ' ' LEU . . . . . 0.484 ' HG ' ' O ' ' B' ' 84' ' ' PHE . 94.2 mt -59.27 -43.89 92.46 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.868 -0.606 . . . . 0.0 110.161 175.067 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 89' ' ' ALA . . . . . 0.524 ' O ' ' HG3' ' B' ' 93' ' ' ARG . . . -61.3 -45.59 93.81 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.687 178.301 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 90' ' ' ALA . . . . . 0.595 ' O ' HG13 ' B' ' 94' ' ' ILE . . . -60.31 -50.95 71.61 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.843 178.881 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 91' ' ' MET . . . . . 0.443 ' O ' HG12 ' B' ' 95' ' ' ILE . 74.7 mtm -62.97 -35.63 80.8 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.922 -179.358 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 92' ' ' LEU . . . . . . . . . . . . . 58.0 tp -59.05 -47.49 85.03 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.498 176.09 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 93' ' ' ARG . . . . . 0.524 ' HG3' ' O ' ' B' ' 89' ' ' ALA . 21.7 mtm180 -61.04 -32.7 72.32 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.403 179.029 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 94' ' ' ILE . . . . . 0.634 ' O ' ' HG2' ' B' ' 98' ' ' ARG . 26.0 mt -72.2 -32.57 43.55 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.386 0 C-N-CA 120.816 -0.354 . . . . 0.0 110.672 178.564 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 95' ' ' ILE . . . . . 0.519 HD11 ' NE1' ' A' ' 69' ' ' TRP . 15.7 mm -56.43 -44.66 80.8 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.432 0 CA-C-O 121.485 0.659 . . . . 0.0 109.225 173.209 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 96' ' ' ASN . . . . . 0.42 ' HB2' ' O ' ' B' ' 93' ' ' ARG . 37.5 m-80 -57.11 -40.07 76.31 Favored 'General case' 0 C--O 1.235 0.334 0 CA-C-N 115.148 -0.933 . . . . 0.0 110.15 174.548 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 97' ' ' ALA . . . . . . . . . . . . . . . -78.59 -8.17 58.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.551 -0.749 . . . . 0.0 112.516 -177.577 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 98' ' ' ARG . . . . . 0.634 ' HG2' ' O ' ' B' ' 94' ' ' ILE . 31.6 mmm180 -81.6 -11.05 59.27 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.923 0.392 . . . . 0.0 110.276 178.826 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 99' ' ' LYS . . . . . . . . . . . . . 28.0 mtpp -109.87 -75.76 0.62 Allowed 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.387 -0.369 . . . . 0.0 110.81 178.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 100' ' ' GLU . . . . . . . . . . . . . 14.1 pt-20 -157.52 13.68 0.23 Allowed 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.474 -0.33 . . . . 0.0 111.165 -178.309 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 101' ' ' LYS . . . . . . . . . . . . . 95.4 mttt 58.79 46.39 14.19 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.413 -178.672 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 102' ' ' LYS . . . . . . . . . . . . . 25.0 ttmm -85.76 104.56 15.57 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.218 177.704 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 103' ' ' ARG . . . . . . . . . . . . . 7.0 mpt_? -85.31 121.11 27.57 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.928 0.394 . . . . 0.0 110.254 178.7 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 104' ' ' ARG . . . . . 0.673 ' HD3' ' O ' ' B' ' 104' ' ' ARG . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.045 0 CA-C-O 119.012 -0.518 . . . . 0.0 110.347 178.793 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.048 0 CA-C-O 120.911 0.386 . . . . 0.0 110.259 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -58.44 -31.81 67.29 Favored Glycine 0 N--CA 1.453 -0.208 0 CA-C-N 115.916 -0.584 . . . . 0.0 113.497 -174.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 89.8 mt -74.03 -22.27 59.63 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 120.721 0.296 . . . . 0.0 111.365 -177.758 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 89.5 mt -99.68 -33.55 10.56 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.939 0.399 . . . . 0.0 110.911 -177.517 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -87.47 -15.44 37.65 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.189 -179.532 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 78.71 15.43 80.78 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.813 -0.708 . . . . 0.0 112.061 -179.348 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 50.5 t-80 -123.1 101.9 7.67 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 109.988 -0.375 . . . . 0.0 109.988 -178.258 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -80.74 116.13 4.17 Favored Glycine 0 N--CA 1.445 -0.708 0 C-N-CA 120.625 -0.798 . . . . 0.0 111.734 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.564 ' O ' HG23 ' A' ' 47' ' ' VAL . 24.3 Cg_exo -64.94 165.25 21.93 Favored 'Trans proline' 0 C--N 1.344 0.303 0 C-N-CA 122.831 2.354 . . . . 0.0 111.696 176.322 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.465 HG13 ' HD3' ' A' ' 45' ' ' ARG . 12.1 pt -57.23 -35.09 47.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 N-CA-C 112.432 0.53 . . . . 0.0 112.432 -172.366 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.465 ' HD3' HG13 ' A' ' 44' ' ' ILE . 0.1 OUTLIER -61.88 -48.85 78.64 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-O 121.166 0.507 . . . . 0.0 110.148 175.965 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . 0.532 ' O ' HG13 ' A' ' 50' ' ' ILE . 55.3 ttm -62.75 -33.24 74.74 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.73 179.243 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.564 HG23 ' O ' ' A' ' 43' ' ' PRO . 97.0 t -59.51 -46.24 93.12 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.504 -0.316 . . . . 0.0 110.817 178.225 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 10.3 mp -65.56 -31.9 73.19 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.773 0.321 . . . . 0.0 110.951 177.742 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -67.32 -45.84 75.27 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.771 176.413 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.532 HG13 ' O ' ' A' ' 46' ' ' MET . 58.8 mt -65.92 -35.62 75.55 Favored 'Isoleucine or valine' 0 C--O 1.233 0.207 0 CA-C-O 121.226 0.536 . . . . 0.0 109.727 176.933 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.411 HD22 ' NE1' ' A' ' 69' ' ' TRP . 9.0 tp -57.1 -55.25 37.14 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.381 -0.827 . . . . 0.0 110.507 175.719 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -57.02 -36.22 70.18 Favored 'General case' 0 C--O 1.232 0.136 0 CA-C-O 121.148 0.499 . . . . 0.0 110.731 -179.767 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 89.2 t80 -60.18 -58.13 9.86 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.672 -0.695 . . . . 0.0 109.899 176.63 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 85.8 mt -69.86 -6.38 32.22 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.521 -179.268 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 29.1 tpt180 -92.45 -36.5 13.07 Favored 'General case' 0 N--CA 1.427 -1.623 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.882 -178.804 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 81.2 m-85 -103.85 -24.06 13.33 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 112.146 0.425 . . . . 0.0 112.146 -177.099 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . 0.405 HG22 ' HG3' ' B' ' 46' ' ' MET . 42.5 p -89.4 -27.18 20.6 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.255 0.55 . . . . 0.0 110.047 178.796 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -135.53 -179.55 5.71 Favored 'General case' 0 N--CA 1.449 -0.522 0 CA-C-N 115.495 -0.775 . . . . 0.0 110.859 -174.872 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 65.5 mt -119.85 129.85 74.91 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-N 115.902 -0.59 . . . . 0.0 109.507 176.404 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 26.2 tptp 66.99 92.19 0.07 OUTLIER Pre-proline 0 C--O 1.233 0.213 0 O-C-N 123.922 0.764 . . . . 0.0 110.962 -178.458 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 31.2 Cg_exo -60.18 150.33 80.16 Favored 'Trans proline' 0 C--O 1.237 0.473 0 C-N-CA 123.015 2.477 . . . . 0.0 112.36 178.543 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 16.4 m -59.96 142.9 52.96 Favored 'General case' 0 C--O 1.236 0.371 0 CA-C-N 115.442 -0.799 . . . . 0.0 111.282 -178.693 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 95.4 mt -60.15 -28.25 67.75 Favored 'General case' 0 C--O 1.223 -0.316 0 CA-C-N 114.997 -1.001 . . . . 0.0 112.668 -172.767 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -61.25 -43.48 99.33 Favored Glycine 0 C--O 1.237 0.29 0 C-N-CA 120.384 -0.912 . . . . 0.0 111.71 178.179 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.497 ' O ' ' HB2' ' A' ' 69' ' ' TRP . 3.9 mm? -67.76 -38.38 83.39 Favored 'General case' 0 C--O 1.22 -0.477 0 N-CA-C 109.882 -0.414 . . . . 0.0 109.882 176.639 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 50.8 mm -66.82 -38.0 80.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.339 -179.745 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 6.5 m120 -66.64 -37.83 85.64 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.376 -0.374 . . . . 0.0 111.119 178.718 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.421 ' O ' HG23 ' A' ' 72' ' ' VAL . 34.7 ttm180 -83.45 -19.8 35.22 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.138 0.494 . . . . 0.0 110.193 177.878 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' TRP . . . . . 0.607 ' NE1' HD11 ' B' ' 95' ' ' ILE . 11.6 t90 -58.52 -48.87 79.42 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.317 -0.856 . . . . 0.0 110.324 177.032 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -75.83 -5.14 78.73 Favored Glycine 0 N--CA 1.451 -0.363 0 CA-C-N 115.824 -0.625 . . . . 0.0 112.363 176.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 24.9 t -92.39 -17.78 24.17 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 109.782 -0.451 . . . . 0.0 109.782 178.432 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.445 HG13 ' HB ' ' A' ' 44' ' ' ILE . 84.4 t -63.66 135.5 27.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.187 177.259 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -57.55 122.39 29.09 Favored Glycine 0 N--CA 1.438 -1.202 0 N-CA-C 110.285 -1.126 . . . . 0.0 110.285 173.743 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.586 ' O ' ' HG2' ' A' ' 78' ' ' MET . 48.4 mttp -60.72 -35.97 77.68 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-O 120.931 0.396 . . . . 0.0 110.164 -175.407 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 56.6 tptt -63.98 -45.15 90.32 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.416 -0.811 . . . . 0.0 110.379 174.458 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.507 ' O ' HG13 ' A' ' 80' ' ' ILE . 4.0 tp10 -59.68 -47.47 85.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.531 -0.759 . . . . 0.0 109.81 178.399 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -54.97 -41.84 71.65 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.926 179.175 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . 0.586 ' HG2' ' O ' ' A' ' 74' ' ' LYS . 64.1 mmm -57.66 -47.64 81.72 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.322 178.474 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 28.8 mt-10 -69.79 -37.18 76.23 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.847 -179.1 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.507 HG13 ' O ' ' A' ' 76' ' ' GLU . 96.7 mt -61.69 -52.38 61.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.689 178.066 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.425 HG13 ' HB2' ' B' ' 92' ' ' LEU . 45.6 mm -60.37 -37.03 72.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.904 -179.016 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 39.6 ttpt -61.83 -48.88 78.56 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.766 177.592 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 35.0 mmtp -69.96 -32.06 70.1 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.681 178.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . 0.481 ' O ' ' HG ' ' A' ' 88' ' ' LEU . 2.1 t80 -61.77 -52.59 63.61 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.812 -0.631 . . . . 0.0 109.818 179.435 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 99.7 mttt -59.61 -39.08 83.08 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.74 178.392 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 59.5 tttm -63.34 -42.23 98.92 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.805 -0.634 . . . . 0.0 111.192 -179.336 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -73.35 -33.87 65.32 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 110.018 -0.364 . . . . 0.0 110.018 -178.524 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.481 ' HG ' ' O ' ' A' ' 84' ' ' PHE . 90.8 mt -58.86 -42.55 89.68 Favored 'General case' 0 CA--C 1.52 -0.188 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.052 173.461 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.488 ' O ' ' HG3' ' A' ' 93' ' ' ARG . . . -58.96 -44.1 91.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.687 177.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . 0.558 ' O ' HG13 ' A' ' 94' ' ' ILE . . . -61.43 -50.47 72.7 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.813 178.529 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' MET . . . . . 0.4 ' O ' HG12 ' A' ' 95' ' ' ILE . 76.3 mtm -63.87 -35.08 79.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.181 -178.58 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.408 ' HB2' HG13 ' B' ' 81' ' ' ILE . 57.6 tp -59.59 -44.52 93.34 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.219 0.533 . . . . 0.0 110.589 176.293 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . 0.488 ' HG3' ' O ' ' A' ' 89' ' ' ALA . 20.7 mtm180 -67.01 -29.78 69.71 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.7 -179.588 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 0.558 HG13 ' O ' ' A' ' 90' ' ' ALA . 45.2 mt -72.81 -33.03 42.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.719 -0.219 . . . . 0.0 110.86 177.733 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.641 HD11 ' NE1' ' B' ' 69' ' ' TRP . 20.0 mm -57.87 -49.82 79.82 Favored 'Isoleucine or valine' 0 C--O 1.232 0.162 0 CA-C-O 121.538 0.685 . . . . 0.0 109.186 172.926 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 41.1 m-80 -67.55 -25.24 65.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.004 -0.998 . . . . 0.0 110.877 179.466 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -71.32 -12.54 61.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.056 0.455 . . . . 0.0 110.977 -179.844 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . 0.42 ' HG2' ' O ' ' A' ' 94' ' ' ILE . 26.3 mmt180 -85.87 4.24 38.17 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.98 0.419 . . . . 0.0 110.159 177.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 64.8 tttp -89.82 -24.8 21.34 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.92 -179.578 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 26.7 mm-40 60.42 47.79 8.42 Favored 'General case' 0 C--O 1.232 0.149 0 N-CA-C 109.026 -0.731 . . . . 0.0 109.026 -171.66 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 21.2 pttp -77.54 74.86 4.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.386 -0.825 . . . . 0.0 111.521 -174.469 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 21.2 ptmt -99.29 -4.17 32.43 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.077 -0.965 . . . . 0.0 109.829 176.83 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . 0.41 ' HG2' ' HG2' ' A' ' 104' ' ' ARG . 52.8 ttp180 65.65 -92.38 0.03 OUTLIER 'General case' 0 CA--C 1.532 0.25 0 CA-C-N 115.026 -0.988 . . . . 0.0 110.75 -179.382 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . 0.41 ' HG2' ' HG2' ' A' ' 103' ' ' ARG . 5.1 ptp180 . . . . . 0 C--O 1.248 0.976 0 CA-C-O 118.415 -0.802 . . . . 0.0 110.023 178.065 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 0.954 0 CA-C-O 121.027 0.442 . . . . 0.0 110.32 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 36' ' ' GLY . . . . . . . . . . . . . . . -58.13 -31.7 65.93 Favored Glycine 0 N--CA 1.452 -0.271 0 CA-C-N 115.83 -0.623 . . . . 0.0 113.644 -175.08 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 90.8 mt -74.27 -22.08 59.47 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 120.782 0.325 . . . . 0.0 111.294 -177.713 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 90.1 mt -99.84 -33.85 10.38 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.748 0.308 . . . . 0.0 110.89 -177.441 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -87.16 -15.62 37.83 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.255 -179.534 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . 78.98 15.84 79.93 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.862 -0.685 . . . . 0.0 111.939 -179.553 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 41' ' ' HIS . . . . . . . . . . . . . 50.6 t-80 -123.76 101.73 7.44 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 109.96 -0.385 . . . . 0.0 109.96 -178.251 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 42' ' ' GLY . . . . . . . . . . . . . . . -80.34 116.16 4.2 Favored Glycine 0 N--CA 1.445 -0.719 0 C-N-CA 120.664 -0.779 . . . . 0.0 111.88 179.732 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 43' ' ' PRO . . . . . 0.56 ' O ' HG23 ' B' ' 47' ' ' VAL . 24.0 Cg_exo -65.12 165.3 22.26 Favored 'Trans proline' 0 C--N 1.344 0.342 0 C-N-CA 122.842 2.362 . . . . 0.0 111.695 176.352 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . 0.465 HG13 ' HD3' ' B' ' 45' ' ' ARG . 12.6 pt -57.32 -35.01 47.51 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 N-CA-C 112.41 0.522 . . . . 0.0 112.41 -172.218 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 45' ' ' ARG . . . . . 0.465 ' HD3' HG13 ' B' ' 44' ' ' ILE . 0.1 OUTLIER -61.87 -48.82 78.78 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-O 121.181 0.515 . . . . 0.0 110.144 175.931 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 46' ' ' MET . . . . . 0.528 ' O ' HG13 ' B' ' 50' ' ' ILE . 55.5 ttm -62.95 -33.11 74.66 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.701 179.304 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 47' ' ' VAL . . . . . 0.56 HG23 ' O ' ' B' ' 43' ' ' PRO . 99.4 t -59.46 -46.28 92.94 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.493 -0.321 . . . . 0.0 110.807 178.019 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 10.3 mp -65.6 -31.81 73.05 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.796 0.332 . . . . 0.0 111.016 177.878 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -67.28 -46.01 74.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.749 176.389 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 50' ' ' ILE . . . . . 0.528 HG13 ' O ' ' B' ' 46' ' ' MET . 58.4 mt -65.82 -35.59 75.51 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-O 121.211 0.529 . . . . 0.0 109.723 176.861 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 51' ' ' LEU . . . . . 0.421 HD22 ' NE1' ' B' ' 69' ' ' TRP . 9.0 tp -57.18 -55.24 37.26 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.394 -0.821 . . . . 0.0 110.474 175.774 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -57.04 -36.19 70.19 Favored 'General case' 0 C--O 1.231 0.13 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.736 -179.789 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 53' ' ' PHE . . . . . . . . . . . . . 89.4 t80 -60.27 -58.05 10.19 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.674 -0.694 . . . . 0.0 109.864 176.661 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 54' ' ' LEU . . . . . . . . . . . . . 85.6 mt -69.83 -6.39 32.12 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.575 -179.329 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 55' ' ' ARG . . . . . . . . . . . . . 29.2 tpt180 -92.44 -36.56 13.04 Favored 'General case' 0 N--CA 1.426 -1.628 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.966 -178.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 56' ' ' PHE . . . . . . . . . . . . . 81.0 m-85 -103.72 -24.14 13.37 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 112.12 0.415 . . . . 0.0 112.12 -176.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 57' ' ' THR . . . . . . . . . . . . . 41.2 p -89.33 -27.37 20.55 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.122 0.487 . . . . 0.0 109.999 178.823 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -135.59 179.78 6.12 Favored 'General case' 0 N--CA 1.449 -0.512 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.831 -174.739 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 59' ' ' ILE . . . . . . . . . . . . . 65.0 mt -119.12 130.06 74.38 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 CA-C-N 115.944 -0.571 . . . . 0.0 109.58 176.278 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 26.3 tptp 67.0 92.36 0.07 OUTLIER Pre-proline 0 CA--C 1.53 0.21 0 O-C-N 123.938 0.774 . . . . 0.0 110.96 -178.453 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 61' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_exo -60.35 150.13 82.14 Favored 'Trans proline' 0 C--O 1.236 0.385 0 C-N-CA 122.942 2.428 . . . . 0.0 112.189 178.436 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 14.5 m -60.12 143.15 52.93 Favored 'General case' 0 C--O 1.237 0.396 0 CA-C-N 115.346 -0.843 . . . . 0.0 111.297 -178.612 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 95.3 mt -60.45 -28.18 68.11 Favored 'General case' 0 C--O 1.225 -0.223 0 CA-C-N 115.01 -0.995 . . . . 0.0 112.707 -172.321 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -61.78 -43.23 99.51 Favored Glycine 0 C--O 1.236 0.281 0 C-N-CA 120.381 -0.914 . . . . 0.0 111.651 178.465 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 65' ' ' LEU . . . . . 0.499 ' O ' ' HB2' ' B' ' 69' ' ' TRP . 3.9 mm? -67.54 -38.42 84.17 Favored 'General case' 0 C--O 1.221 -0.441 0 N-CA-C 109.849 -0.426 . . . . 0.0 109.849 176.474 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 66' ' ' ILE . . . . . . . . . . . . . 50.7 mm -66.98 -37.95 80.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.407 -179.709 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 67' ' ' ASN . . . . . . . . . . . . . 6.5 m120 -66.6 -37.73 85.5 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.33 -0.396 . . . . 0.0 111.178 178.546 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 68' ' ' ARG . . . . . 0.421 ' O ' HG23 ' B' ' 72' ' ' VAL . 34.6 ttm180 -83.61 -19.95 34.57 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.11 0.481 . . . . 0.0 110.048 177.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 69' ' ' TRP . . . . . 0.641 ' NE1' HD11 ' A' ' 95' ' ' ILE . 11.4 t90 -58.47 -48.67 79.98 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.284 -0.871 . . . . 0.0 110.281 177.035 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . -76.5 -4.38 80.3 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.895 -0.669 . . . . 0.0 112.258 177.085 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 71' ' ' SER . . . . . . . . . . . . . 26.0 t -92.49 -18.21 23.49 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 109.635 -0.505 . . . . 0.0 109.635 178.222 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 72' ' ' VAL . . . . . 0.43 HG13 ' HB ' ' B' ' 44' ' ' ILE . 85.8 t -63.49 135.81 27.07 Favored 'Isoleucine or valine' 0 C--O 1.235 0.3 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.137 177.579 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 73' ' ' GLY . . . . . . . . . . . . . . . -58.0 122.41 29.44 Favored Glycine 0 N--CA 1.44 -1.06 0 N-CA-C 110.328 -1.109 . . . . 0.0 110.328 173.856 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 74' ' ' LYS . . . . . 0.584 ' O ' ' HG2' ' B' ' 78' ' ' MET . 48.2 mttp -60.79 -35.91 77.65 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-O 120.988 0.423 . . . . 0.0 110.054 -175.145 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 75' ' ' LYS . . . . . . . . . . . . . 56.8 tptt -63.98 -45.22 90.06 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.394 -0.821 . . . . 0.0 110.399 174.485 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 76' ' ' GLU . . . . . 0.53 ' O ' HG13 ' B' ' 80' ' ' ILE . 4.0 tp10 -59.49 -47.33 85.9 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.559 -0.746 . . . . 0.0 109.892 178.296 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 77' ' ' ALA . . . . . . . . . . . . . . . -55.23 -41.69 72.42 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.997 179.235 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 78' ' ' MET . . . . . 0.584 ' HG2' ' O ' ' B' ' 74' ' ' LYS . 63.3 mmm -57.71 -47.49 82.24 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.351 178.453 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 79' ' ' GLU . . . . . . . . . . . . . 29.9 mt-10 -69.81 -37.31 76.22 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.544 -0.753 . . . . 0.0 110.769 -179.123 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 80' ' ' ILE . . . . . 0.53 HG13 ' O ' ' B' ' 76' ' ' GLU . 97.0 mt -61.84 -52.28 62.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.706 178.276 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 81' ' ' ILE . . . . . 0.408 HG13 ' HB2' ' A' ' 92' ' ' LEU . 45.8 mm -60.42 -36.8 71.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.934 -179.155 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 82' ' ' LYS . . . . . . . . . . . . . 39.7 ttpt -62.0 -48.92 78.16 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.709 177.524 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 83' ' ' LYS . . . . . . . . . . . . . 34.9 mmtp -70.08 -31.85 69.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.732 179.03 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 84' ' ' PHE . . . . . 0.481 ' O ' ' HG ' ' B' ' 88' ' ' LEU . 2.1 t80 -61.78 -52.63 63.43 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.787 -0.642 . . . . 0.0 109.748 179.375 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 85' ' ' LYS . . . . . . . . . . . . . 99.7 mttt -59.9 -38.73 83.13 Favored 'General case' 0 C--O 1.233 0.218 0 CA-C-N 115.916 -0.583 . . . . 0.0 110.75 178.522 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 86' ' ' LYS . . . . . . . . . . . . . 59.4 tttm -63.41 -42.59 98.76 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.874 -0.603 . . . . 0.0 111.153 -179.591 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 87' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -72.86 -34.1 66.52 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.826 0.346 . . . . 0.0 110.103 -178.495 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 88' ' ' LEU . . . . . 0.481 ' HG ' ' O ' ' B' ' 84' ' ' PHE . 91.2 mt -58.75 -42.57 89.16 Favored 'General case' 0 CA--C 1.521 -0.155 0 CA-C-N 115.927 -0.578 . . . . 0.0 110.021 173.531 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 89' ' ' ALA . . . . . 0.488 ' O ' ' HG3' ' B' ' 93' ' ' ARG . . . -59.03 -44.12 91.7 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.582 -0.736 . . . . 0.0 110.563 178.072 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 90' ' ' ALA . . . . . 0.558 ' O ' HG13 ' B' ' 94' ' ' ILE . . . -61.55 -50.41 72.76 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.77 178.66 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 91' ' ' MET . . . . . . . . . . . . . 75.8 mtm -63.88 -35.13 79.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.168 -178.616 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 92' ' ' LEU . . . . . 0.425 ' HB2' HG13 ' A' ' 81' ' ' ILE . 57.4 tp -59.41 -44.65 92.8 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.207 0.527 . . . . 0.0 110.626 176.372 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 93' ' ' ARG . . . . . 0.488 ' HG3' ' O ' ' B' ' 89' ' ' ALA . 20.7 mtm180 -66.77 -30.22 70.37 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.675 -179.455 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 94' ' ' ILE . . . . . 0.558 HG13 ' O ' ' B' ' 90' ' ' ALA . 45.1 mt -72.43 -33.09 44.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.61 -0.268 . . . . 0.0 110.913 177.761 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 95' ' ' ILE . . . . . 0.607 HD11 ' NE1' ' A' ' 69' ' ' TRP . 19.9 mm -57.87 -50.0 79.2 Favored 'Isoleucine or valine' 0 C--O 1.232 0.183 0 CA-C-O 121.645 0.736 . . . . 0.0 109.1 172.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 96' ' ' ASN . . . . . . . . . . . . . 42.0 m-80 -67.49 -25.44 65.86 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 114.978 -1.01 . . . . 0.0 110.934 179.49 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 97' ' ' ALA . . . . . . . . . . . . . . . -70.94 -13.07 61.88 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.924 0.392 . . . . 0.0 110.91 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 98' ' ' ARG . . . . . 0.435 ' HG2' ' O ' ' B' ' 94' ' ' ILE . 26.5 mmt180 -85.45 4.59 34.91 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.983 0.421 . . . . 0.0 110.176 178.067 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 99' ' ' LYS . . . . . . . . . . . . . 64.9 tttp -90.35 -24.32 20.86 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.77 -179.563 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 100' ' ' GLU . . . . . . . . . . . . . 32.2 mm-40 60.23 47.53 9.12 Favored 'General case' 0 C--O 1.232 0.164 0 N-CA-C 109.071 -0.714 . . . . 0.0 109.071 -171.742 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 101' ' ' LYS . . . . . . . . . . . . . 21.2 pttp -77.16 74.8 3.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.388 -0.824 . . . . 0.0 111.533 -174.094 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 102' ' ' LYS . . . . . . . . . . . . . 21.2 ptmt -99.2 -4.42 32.1 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.206 -0.906 . . . . 0.0 109.895 177.174 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 103' ' ' ARG . . . . . 0.412 ' HG2' ' HG2' ' B' ' 104' ' ' ARG . 52.8 ttp180 65.64 -92.88 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 114.945 -1.025 . . . . 0.0 110.571 -179.152 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 104' ' ' ARG . . . . . 0.412 ' HG2' ' HG2' ' B' ' 103' ' ' ARG . 5.2 ptp180 . . . . . 0 C--O 1.246 0.895 0 CA-C-O 118.379 -0.819 . . . . 0.0 109.838 178.046 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 0.851 0 CA-C-O 120.998 0.427 . . . . 0.0 110.229 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -59.92 -34.2 82.06 Favored Glycine 0 N--CA 1.452 -0.294 0 CA-C-N 115.921 -0.581 . . . . 0.0 113.13 -176.464 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 8.5 mp -76.5 -20.16 57.23 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 120.821 0.343 . . . . 0.0 110.835 -177.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 58.7 tp -90.99 -49.62 6.32 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.88 0.372 . . . . 0.0 110.524 -178.493 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -81.86 -18.1 45.02 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.36 -176.521 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 87.21 5.26 80.24 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.716 -0.754 . . . . 0.0 111.719 -178.129 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 12.1 m170 -95.06 88.38 5.21 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 109.63 -0.507 . . . . 0.0 109.63 -179.554 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -73.7 132.0 15.17 Favored Glycine 0 N--CA 1.445 -0.712 0 C-N-CA 120.636 -0.792 . . . . 0.0 112.783 -175.837 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.639 ' HD2' ' SD ' ' A' ' 46' ' ' MET . 37.6 Cg_endo -66.69 176.8 3.93 Favored 'Trans proline' 0 C--N 1.343 0.272 0 C-N-CA 122.632 2.221 . . . . 0.0 111.497 175.049 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.433 ' HB ' HG22 ' A' ' 72' ' ' VAL . 23.0 pt -52.54 -38.85 27.56 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.381 0 N-CA-C 112.275 0.472 . . . . 0.0 112.275 -172.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.404 HH11 ' HD3' ' A' ' 45' ' ' ARG . 39.4 mtp180 -54.81 -53.68 52.09 Favored 'General case' 0 N--CA 1.463 0.199 0 CA-C-O 121.39 0.614 . . . . 0.0 110.949 175.35 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . 0.639 ' SD ' ' HD2' ' A' ' 43' ' ' PRO . 85.0 mtp -70.95 -19.49 62.56 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.449 -0.796 . . . . 0.0 111.156 -176.534 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.54 HG23 ' O ' ' A' ' 43' ' ' PRO . 97.1 t -67.17 -46.93 83.15 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.187 0 N-CA-C 110.131 -0.322 . . . . 0.0 110.131 176.804 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.4 HD13 ' HA ' ' A' ' 48' ' ' LEU . 4.0 mm? -65.29 -34.67 78.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.487 -0.324 . . . . 0.0 110.355 176.153 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -64.69 -52.48 56.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.559 178.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 14.4 tt -68.52 -28.77 41.59 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-O 120.954 0.407 . . . . 0.0 110.308 -179.522 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.571 ' O ' ' HG2' ' A' ' 55' ' ' ARG . 13.6 tp -62.53 -53.72 50.46 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.059 176.124 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.486 ' HB1' ' CZ ' ' B' ' 84' ' ' PHE . . . -54.59 -41.04 69.43 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.76 -0.655 . . . . 0.0 110.502 179.011 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 84.7 t80 -57.93 -57.61 12.04 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.626 -0.715 . . . . 0.0 109.842 173.457 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 96.0 mt -71.03 7.3 1.24 Allowed 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 112.478 0.547 . . . . 0.0 112.478 -177.787 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.571 ' HG2' ' O ' ' A' ' 51' ' ' LEU . 14.6 mmm180 -111.99 -46.18 3.24 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 121.862 -0.524 . . . . 0.0 111.591 172.519 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 4.7 t80 -79.23 -15.76 57.54 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.905 0.383 . . . . 0.0 110.563 -178.059 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 43.5 p -98.45 5.56 47.96 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 109.807 -0.442 . . . . 0.0 109.807 174.06 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.496 ' O ' ' HB ' ' A' ' 59' ' ' ILE . . . 65.87 -158.2 0.27 Allowed 'General case' 0 N--CA 1.462 0.14 0 CA-C-N 115.004 -0.998 . . . . 0.0 110.282 -172.165 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.496 ' HB ' ' O ' ' A' ' 58' ' ' ALA . 79.8 mt 76.67 141.15 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.465 0.281 0 O-C-N 123.51 0.506 . . . . 0.0 110.097 -176.38 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 64.3 tttp -79.35 117.55 67.66 Favored Pre-proline 0 C--N 1.324 -0.53 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.135 178.581 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 34.9 Cg_exo -60.36 123.63 13.5 Favored 'Trans proline' 0 N--CA 1.461 -0.427 0 C-N-CA 122.375 2.05 . . . . 0.0 111.184 177.078 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 13.5 m -56.94 146.84 25.48 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.973 -178.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 85.4 mt -61.34 -22.09 64.6 Favored 'General case' 0 C--O 1.225 -0.226 0 CA-C-N 115.405 -0.816 . . . . 0.0 112.536 -171.277 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -59.88 -44.29 97.23 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.222 -0.99 . . . . 0.0 111.141 174.414 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -69.33 -40.67 77.46 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 109.908 -0.404 . . . . 0.0 109.908 177.686 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.503 ' O ' ' HB3' ' A' ' 69' ' ' TRP . 48.8 mm -63.67 -34.96 71.05 Favored 'Isoleucine or valine' 0 C--O 1.236 0.38 0 CA-C-O 121.287 0.565 . . . . 0.0 110.913 179.376 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 2.0 m120 -66.89 -40.88 87.88 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.837 -0.619 . . . . 0.0 110.991 177.24 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.437 ' HB3' HG21 ' A' ' 47' ' ' VAL . 55.5 mtt180 -74.9 -31.48 61.58 Favored 'General case' 0 CA--C 1.519 -0.219 0 CA-C-O 121.202 0.525 . . . . 0.0 109.762 178.11 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' TRP . . . . . 0.631 ' CD1' HD11 ' B' ' 95' ' ' ILE . 45.0 t90 -53.1 -56.41 16.47 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 114.714 -1.13 . . . . 0.0 110.599 176.014 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -74.43 -5.03 71.37 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 121.082 -0.58 . . . . 0.0 113.179 177.707 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 72.7 m -84.33 -17.22 40.2 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.991 0.396 . . . . 0.0 110.557 177.348 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.433 HG22 ' HB ' ' A' ' 44' ' ' ILE . 14.2 t -71.32 127.85 33.76 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 N-CA-C 108.679 -0.86 . . . . 0.0 108.679 175.04 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . 0.456 ' O ' ' N ' ' A' ' 75' ' ' LYS . . . -77.55 44.9 2.3 Favored Glycine 0 CA--C 1.521 0.421 0 CA-C-O 119.359 -0.689 . . . . 0.0 114.398 -170.715 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.413 ' HE3' ' OD1' ' B' ' 96' ' ' ASN . 19.8 ptmt 49.72 -60.87 0.0 OUTLIER 'General case' 0 N--CA 1.484 1.272 0 C-N-CA 125.946 1.698 . . . . 0.0 115.334 177.485 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.465 ' HD3' ' C ' ' A' ' 75' ' ' LYS . 1.2 tmtp? -54.66 -52.92 60.83 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.439 0.638 . . . . 0.0 109.755 177.658 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 13.4 tp10 -50.93 -44.37 60.25 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 114.8 -1.091 . . . . 0.0 110.993 173.604 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -61.4 -37.06 82.1 Favored 'General case' 0 C--O 1.226 -0.174 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.733 179.8 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 65.0 mtt -59.63 -43.86 93.67 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.298 177.555 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -65.69 -42.84 90.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.699 176.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 88.6 mt -60.03 -54.21 37.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.793 179.06 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 46.8 mm -66.17 -35.86 76.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 116.035 -0.53 . . . . 0.0 111.334 -177.793 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 23.8 tptm -62.54 -48.81 77.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.856 0.36 . . . . 0.0 110.635 179.537 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 39.0 ttpt -70.29 -28.35 65.12 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.198 0.523 . . . . 0.0 110.245 179.772 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . 0.527 ' O ' ' HG ' ' A' ' 88' ' ' LEU . 14.5 t80 -64.88 -51.43 62.02 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.484 -0.78 . . . . 0.0 109.969 175.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . 0.44 ' HA ' HD12 ' A' ' 88' ' ' LEU . 98.5 mttt -58.88 -33.22 70.25 Favored 'General case' 0 C--O 1.232 0.184 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.053 175.776 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 27.1 tptp -64.54 -45.24 87.99 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.794 179.01 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -68.52 -36.68 79.19 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.051 0.453 . . . . 0.0 110.133 179.525 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.527 ' HG ' ' O ' ' A' ' 84' ' ' PHE . 93.2 mt -62.71 -42.14 99.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.75 177.136 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -60.26 -47.46 85.91 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.664 178.602 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . 0.608 ' O ' HG13 ' A' ' 94' ' ' ILE . . . -62.08 -45.56 92.97 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.719 178.685 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 6.2 tpt -64.16 -39.22 93.54 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.519 -177.265 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.433 ' O ' ' HB ' ' A' ' 95' ' ' ILE . 53.3 tp -60.05 -39.63 86.6 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.598 175.919 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . 0.484 ' HA ' ' ND2' ' A' ' 96' ' ' ASN . 94.2 mtt180 -71.5 -22.13 61.83 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.013 -0.539 . . . . 0.0 111.224 -179.618 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 0.608 HG13 ' O ' ' A' ' 90' ' ' ALA . 11.4 mt -78.47 -28.81 14.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 C-N-CA 120.492 -0.483 . . . . 0.0 109.794 173.209 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.626 HD11 ' CD1' ' B' ' 69' ' ' TRP . 19.0 mm -60.61 -39.95 83.07 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.248 0 N-CA-C 109.231 -0.655 . . . . 0.0 109.231 170.404 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' ASN . . . . . 0.484 ' ND2' ' HA ' ' A' ' 93' ' ' ARG . 79.4 m-20 -59.76 -44.8 93.68 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.486 -0.779 . . . . 0.0 109.551 174.101 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -72.33 2.01 6.83 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.816 -0.629 . . . . 0.0 112.261 -179.691 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . 0.54 ' HG2' ' O ' ' A' ' 94' ' ' ILE . 5.6 mmp_? -81.97 -19.85 39.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.675 0.274 . . . . 0.0 110.529 176.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . 0.452 ' HG3' ' O ' ' A' ' 101' ' ' LYS . 48.2 tptt -157.87 -48.69 0.06 Allowed 'General case' 0 C--N 1.329 -0.318 0 C-N-CA 120.915 -0.314 . . . . 0.0 111.322 -175.36 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . 0.526 ' OE1' ' HA ' ' A' ' 100' ' ' GLU . 3.6 mm-40 72.85 -42.05 0.52 Allowed 'General case' 0 N--CA 1.468 0.446 0 C-N-CA 123.825 0.85 . . . . 0.0 112.048 -176.363 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . 0.452 ' O ' ' HG3' ' A' ' 99' ' ' LYS . 24.5 pttm -152.93 137.53 16.86 Favored 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 109.713 -0.477 . . . . 0.0 109.713 -179.79 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 14.1 ptmm? -135.96 22.49 3.29 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 121.089 0.471 . . . . 0.0 110.355 -176.864 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 99.9 mtt180 -122.5 2.22 9.6 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.799 -0.637 . . . . 0.0 111.186 -178.284 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 . . . . . 0 C--O 1.249 1.028 0 CA-C-O 118.447 -0.787 . . . . 0.0 110.322 -177.654 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 0.934 0 CA-C-O 120.997 0.427 . . . . 0.0 110.461 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 36' ' ' GLY . . . . . . . . . . . . . . . -59.88 -34.64 83.78 Favored Glycine 0 N--CA 1.451 -0.308 0 CA-C-N 115.929 -0.578 . . . . 0.0 113.036 -176.38 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 8.6 mp -76.03 -20.12 58.07 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 120.881 0.372 . . . . 0.0 110.9 -177.847 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 58.8 tp -91.31 -49.46 6.34 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.931 0.396 . . . . 0.0 110.546 -178.25 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -81.9 -18.55 43.31 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.299 -176.709 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . 87.65 5.11 78.89 Favored Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.67 -0.776 . . . . 0.0 111.717 -178.215 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 41' ' ' HIS . . . . . . . . . . . . . 12.0 m170 -94.72 88.61 5.43 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 109.582 -0.525 . . . . 0.0 109.582 -179.618 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 42' ' ' GLY . . . . . . . . . . . . . . . -74.0 132.14 14.89 Favored Glycine 0 N--CA 1.445 -0.728 0 C-N-CA 120.636 -0.792 . . . . 0.0 112.726 -175.816 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 43' ' ' PRO . . . . . 0.653 ' HD2' ' SD ' ' B' ' 46' ' ' MET . 38.2 Cg_endo -66.92 176.71 4.18 Favored 'Trans proline' 0 C--N 1.343 0.264 0 C-N-CA 122.682 2.255 . . . . 0.0 111.432 175.064 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . 0.433 ' HB ' HG22 ' B' ' 72' ' ' VAL . 23.4 pt -52.36 -38.87 26.52 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.415 0 N-CA-C 112.322 0.49 . . . . 0.0 112.322 -173.025 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 39.6 mtp180 -54.94 -53.53 54.45 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-O 121.438 0.637 . . . . 0.0 110.9 175.408 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 46' ' ' MET . . . . . 0.653 ' SD ' ' HD2' ' B' ' 43' ' ' PRO . 85.3 mtp -71.08 -19.55 62.46 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.489 -0.778 . . . . 0.0 111.131 -176.496 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 47' ' ' VAL . . . . . 0.543 HG23 ' O ' ' B' ' 43' ' ' PRO . 96.9 t -67.13 -46.96 83.18 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.191 0 N-CA-C 110.059 -0.349 . . . . 0.0 110.059 176.898 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 48' ' ' LEU . . . . . 0.427 HD13 ' HA ' ' B' ' 48' ' ' LEU . 4.0 mm? -65.28 -34.72 79.01 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.817 0.341 . . . . 0.0 110.431 176.144 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -64.56 -52.68 56.39 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.527 178.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 50' ' ' ILE . . . . . . . . . . . . . 14.4 tt -68.31 -28.75 41.86 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.183 0 CA-C-O 120.898 0.38 . . . . 0.0 110.371 -179.549 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 51' ' ' LEU . . . . . 0.574 ' O ' ' HG2' ' B' ' 55' ' ' ARG . 13.6 tp -62.51 -53.67 51.33 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.043 176.108 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 52' ' ' ALA . . . . . 0.464 ' HB1' ' CZ ' ' A' ' 84' ' ' PHE . . . -54.73 -40.87 69.72 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.53 179.083 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 53' ' ' PHE . . . . . . . . . . . . . 84.9 t80 -58.02 -57.59 12.14 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.618 -0.719 . . . . 0.0 109.916 173.385 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 54' ' ' LEU . . . . . . . . . . . . . 95.9 mt -70.95 7.14 1.25 Allowed 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 112.466 0.543 . . . . 0.0 112.466 -177.797 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 55' ' ' ARG . . . . . 0.574 ' HG2' ' O ' ' B' ' 51' ' ' LEU . 14.6 mmm180 -111.88 -46.39 3.24 Favored 'General case' 0 C--N 1.323 -0.563 0 O-C-N 121.864 -0.522 . . . . 0.0 111.516 172.61 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 56' ' ' PHE . . . . . . . . . . . . . 4.8 t80 -78.99 -15.9 57.64 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 120.889 0.376 . . . . 0.0 110.533 -177.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 57' ' ' THR . . . . . . . . . . . . . 43.6 p -98.25 5.57 48.25 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 109.791 -0.448 . . . . 0.0 109.791 174.16 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 58' ' ' ALA . . . . . 0.511 ' O ' ' HB ' ' B' ' 59' ' ' ILE . . . 65.68 -158.17 0.27 Allowed 'General case' 0 N--CA 1.461 0.116 0 CA-C-N 115.114 -0.948 . . . . 0.0 110.304 -171.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 59' ' ' ILE . . . . . 0.511 ' HB ' ' O ' ' B' ' 58' ' ' ALA . 80.2 mt 76.65 141.29 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.463 0.218 0 O-C-N 123.561 0.538 . . . . 0.0 110.125 -176.207 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 64.2 tttp -79.57 117.99 70.08 Favored Pre-proline 0 C--N 1.324 -0.536 0 N-CA-C 109.937 -0.394 . . . . 0.0 109.937 178.688 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 61' ' ' PRO . . . . . . . . . . . . . 33.7 Cg_exo -60.57 123.44 13.05 Favored 'Trans proline' 0 N--CA 1.462 -0.358 0 C-N-CA 122.337 2.024 . . . . 0.0 111.31 176.909 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 13.2 m -56.71 147.04 23.85 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.013 -178.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 85.4 mt -61.45 -22.15 64.79 Favored 'General case' 0 CA--C 1.52 -0.2 0 CA-C-N 115.409 -0.814 . . . . 0.0 112.622 -171.315 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -59.8 -44.53 96.94 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.207 -0.996 . . . . 0.0 111.069 174.557 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -68.9 -41.02 78.79 Favored 'General case' 0 C--O 1.223 -0.322 0 N-CA-C 109.96 -0.385 . . . . 0.0 109.96 177.721 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 66' ' ' ILE . . . . . 0.474 ' O ' ' HB3' ' B' ' 69' ' ' TRP . 49.3 mm -63.36 -34.97 70.37 Favored 'Isoleucine or valine' 0 C--O 1.236 0.35 0 CA-C-O 121.315 0.579 . . . . 0.0 110.909 179.324 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 67' ' ' ASN . . . . . . . . . . . . . 2.0 m120 -67.0 -40.58 87.38 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.987 177.31 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 68' ' ' ARG . . . . . 0.439 ' HB3' HG21 ' B' ' 47' ' ' VAL . 55.3 mtt180 -75.24 -31.15 60.73 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.182 0.515 . . . . 0.0 109.681 178.209 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 69' ' ' TRP . . . . . 0.626 ' CD1' HD11 ' A' ' 95' ' ' ILE . 45.1 t90 -53.54 -56.39 17.45 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 114.741 -1.118 . . . . 0.0 110.534 176.112 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . -74.37 -4.52 69.46 Favored Glycine 0 CA--C 1.52 0.405 0 CA-C-N 115.951 -0.568 . . . . 0.0 113.198 177.396 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 71' ' ' SER . . . . . . . . . . . . . 74.4 m -84.88 -17.17 38.75 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 117.06 0.43 . . . . 0.0 110.497 177.052 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 72' ' ' VAL . . . . . 0.433 HG22 ' HB ' ' B' ' 44' ' ' ILE . 14.4 t -71.29 128.06 33.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 N-CA-C 108.604 -0.888 . . . . 0.0 108.604 175.149 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 73' ' ' GLY . . . . . 0.457 ' O ' ' N ' ' B' ' 75' ' ' LYS . . . -77.59 45.07 2.34 Favored Glycine 0 C--O 1.225 -0.454 0 CA-C-O 119.336 -0.702 . . . . 0.0 114.431 -170.895 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 74' ' ' LYS . . . . . 0.409 ' HA ' ' CG2' ' A' ' 95' ' ' ILE . 19.8 ptmt 49.67 -61.15 0.0 OUTLIER 'General case' 0 N--CA 1.484 1.226 0 C-N-CA 125.923 1.689 . . . . 0.0 115.329 177.458 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 75' ' ' LYS . . . . . 0.485 ' HD3' ' C ' ' B' ' 75' ' ' LYS . 1.2 tmtp? -54.52 -52.69 61.21 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.402 0.62 . . . . 0.0 109.709 177.694 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 76' ' ' GLU . . . . . 0.416 ' HG2' HD12 ' B' ' 44' ' ' ILE . 13.5 tp10 -51.21 -44.27 61.58 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 114.777 -1.101 . . . . 0.0 110.939 173.796 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 77' ' ' ALA . . . . . . . . . . . . . . . -61.51 -36.67 81.17 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.726 179.863 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 78' ' ' MET . . . . . . . . . . . . . 66.1 mtt -60.02 -43.94 94.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.335 177.529 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 79' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -65.6 -42.88 91.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.669 176.882 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 80' ' ' ILE . . . . . . . . . . . . . 88.1 mt -59.89 -54.41 35.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.812 178.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 81' ' ' ILE . . . . . . . . . . . . . 46.9 mm -66.08 -36.06 76.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.29 -177.727 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 82' ' ' LYS . . . . . . . . . . . . . 23.8 tptm -62.32 -48.9 77.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.908 0.385 . . . . 0.0 110.679 179.462 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 83' ' ' LYS . . . . . . . . . . . . . 39.1 ttpt -70.18 -28.2 65.13 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.175 0.512 . . . . 0.0 110.222 179.825 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 84' ' ' PHE . . . . . 0.53 ' O ' ' HG ' ' B' ' 88' ' ' LEU . 14.6 t80 -65.01 -51.18 63.07 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.488 -0.778 . . . . 0.0 109.91 176.089 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 85' ' ' LYS . . . . . 0.451 ' HA ' HD12 ' B' ' 88' ' ' LEU . 98.4 mttt -59.0 -33.48 70.75 Favored 'General case' 0 N--CA 1.462 0.143 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.065 175.91 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 86' ' ' LYS . . . . . . . . . . . . . 27.1 tptp -64.28 -45.38 88.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.792 178.895 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 87' ' ' ASP . . . . . . . . . . . . . 35.6 t70 -68.45 -36.64 79.31 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.983 0.421 . . . . 0.0 110.093 179.562 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 88' ' ' LEU . . . . . 0.53 ' HG ' ' O ' ' B' ' 84' ' ' PHE . 93.6 mt -62.76 -42.12 99.53 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.703 177.224 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -60.22 -47.73 84.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.702 178.604 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 90' ' ' ALA . . . . . 0.594 ' O ' HG13 ' B' ' 94' ' ' ILE . . . -61.72 -45.77 92.55 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.72 178.542 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 91' ' ' MET . . . . . . . . . . . . . 6.2 tpt -64.02 -39.19 93.54 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.497 -177.162 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 92' ' ' LEU . . . . . 0.427 ' O ' ' HB ' ' B' ' 95' ' ' ILE . 53.2 tp -60.13 -39.52 86.57 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.59 176.017 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 93' ' ' ARG . . . . . 0.485 ' HA ' ' ND2' ' B' ' 96' ' ' ASN . 94.4 mtt180 -71.61 -22.11 61.75 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.144 -179.519 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 94' ' ' ILE . . . . . 0.594 HG13 ' O ' ' B' ' 90' ' ' ALA . 11.2 mt -78.44 -28.83 14.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 N-CA-C 109.745 -0.465 . . . . 0.0 109.745 173.29 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 95' ' ' ILE . . . . . 0.631 HD11 ' CD1' ' A' ' 69' ' ' TRP . 19.2 mm -60.6 -39.94 83.01 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.211 0 N-CA-C 109.246 -0.65 . . . . 0.0 109.246 170.437 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 96' ' ' ASN . . . . . 0.485 ' ND2' ' HA ' ' B' ' 93' ' ' ARG . 80.1 m-20 -59.77 -44.74 93.74 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.431 -0.804 . . . . 0.0 109.512 174.101 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 97' ' ' ALA . . . . . . . . . . . . . . . -72.26 1.86 6.99 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.814 -0.63 . . . . 0.0 112.258 -179.64 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 98' ' ' ARG . . . . . 0.531 ' HG2' ' O ' ' B' ' 94' ' ' ILE . 5.6 mmp_? -82.09 -19.58 39.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.646 0.26 . . . . 0.0 110.631 177.035 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 99' ' ' LYS . . . . . 0.453 ' HG3' ' O ' ' B' ' 101' ' ' LYS . 48.0 tptt -158.0 -49.25 0.06 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.489 -0.323 . . . . 0.0 111.152 -175.498 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 100' ' ' GLU . . . . . 0.508 ' HA ' ' OE1' ' B' ' 100' ' ' GLU . 3.6 mm-40 73.2 -41.95 0.51 Allowed 'General case' 0 N--CA 1.468 0.452 0 C-N-CA 123.853 0.861 . . . . 0.0 111.931 -176.223 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 101' ' ' LYS . . . . . 0.453 ' O ' ' HG3' ' B' ' 99' ' ' LYS . 24.6 pttm -153.01 137.65 16.9 Favored 'General case' 0 C--N 1.319 -0.726 0 N-CA-C 109.577 -0.527 . . . . 0.0 109.577 -179.872 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 102' ' ' LYS . . . . . . . . . . . . . 14.1 ptmm? -136.13 22.67 3.26 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-O 121.164 0.507 . . . . 0.0 110.347 -176.896 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 103' ' ' ARG . . . . . . . . . . . . . 99.9 mtt180 -122.18 1.26 9.7 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.751 -0.659 . . . . 0.0 111.207 -178.528 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 104' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 . . . . . 0 C--O 1.251 1.136 0 CA-C-O 118.71 -0.662 . . . . 0.0 110.358 -177.504 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.47 ' O ' HD23 ' A' ' 39' ' ' LEU . . . . . . . . 0 N--CA 1.479 1.001 0 CA-C-O 120.747 0.308 . . . . 0.0 110.485 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 73.42 -175.4 46.36 Favored Glycine 0 N--CA 1.443 -0.842 0 C-N-CA 119.633 -1.27 . . . . 0.0 113.405 175.425 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 85.5 mt -78.26 -6.37 54.77 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 120.908 0.385 . . . . 0.0 110.078 176.413 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 75.7 mt -85.94 -32.96 21.3 Favored 'General case' 0 N--CA 1.451 -0.388 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.118 -179.782 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.47 HD23 ' O ' ' A' ' 35' ' ' ALA . 3.7 mm? -102.41 -30.65 10.9 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.004 -0.544 . . . . 0.0 109.686 177.472 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 120.99 44.01 0.42 Allowed Glycine 0 C--O 1.228 -0.268 0 C-N-CA 119.368 -1.396 . . . . 0.0 114.272 169.694 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . 0.4 ' HB2' ' CB ' ' A' ' 35' ' ' ALA . 29.2 t60 -96.4 99.65 11.3 Favored 'General case' 0 C--N 1.317 -0.821 0 N-CA-C 109.019 -0.734 . . . . 0.0 109.019 171.478 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -97.38 116.8 5.61 Favored Glycine 0 N--CA 1.442 -0.948 0 C-N-CA 120.359 -0.924 . . . . 0.0 112.798 -177.367 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.572 ' HD2' ' SD ' ' A' ' 46' ' ' MET . 26.5 Cg_exo -64.43 179.09 1.35 Allowed 'Trans proline' 0 C--N 1.343 0.273 0 C-N-CA 122.765 2.31 . . . . 0.0 110.829 169.935 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 35.3 pt -52.79 -39.69 32.2 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.451 0 N-CA-C 112.596 0.591 . . . . 0.0 112.596 -172.413 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.401 ' HA ' HD13 ' A' ' 80' ' ' ILE . 97.0 mtt180 -60.89 -48.18 82.98 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 121.111 0.481 . . . . 0.0 110.634 177.719 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . 0.572 ' SD ' ' HD2' ' A' ' 43' ' ' PRO . 1.9 mpt? -69.9 -27.9 65.17 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.909 -179.127 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.547 HG23 ' O ' ' A' ' 43' ' ' PRO . 90.6 t -58.45 -46.71 89.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 N-CA-C 110.126 -0.324 . . . . 0.0 110.126 176.201 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 11.0 mp -68.21 -31.92 71.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.03 177.854 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -66.55 -50.13 64.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.989 0.424 . . . . 0.0 110.996 176.083 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.534 HG13 ' O ' ' A' ' 46' ' ' MET . 54.7 mt -66.92 -29.89 47.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 115.999 -0.546 . . . . 0.0 109.771 178.315 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.533 ' O ' ' HG2' ' A' ' 55' ' ' ARG . 16.5 tp -58.33 -56.68 18.93 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.055 174.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -56.52 -39.49 73.43 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.826 179.803 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.427 ' HB3' ' O ' ' A' ' 50' ' ' ILE . 90.1 t80 -52.74 -58.48 6.72 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.66 -0.7 . . . . 0.0 109.63 173.711 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.554 HD13 ' H ' ' A' ' 62' ' ' SER . 83.9 mt -70.34 -6.71 37.18 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.237 -0.438 . . . . 0.0 112.103 -178.256 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.533 ' HG2' ' O ' ' A' ' 51' ' ' LEU . 25.1 mmm180 -87.82 -35.78 17.61 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.773 0.32 . . . . 0.0 111.296 177.839 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . 0.437 ' CZ ' ' HA ' ' B' ' 84' ' ' PHE . 66.8 m-85 -109.88 -12.67 14.55 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.92 -176.036 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 22.8 p -108.15 4.52 24.96 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.057 0.456 . . . . 0.0 110.705 178.035 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -164.47 167.06 19.92 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.401 -177.634 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 18.8 mm -118.28 50.79 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-O 121.823 0.821 . . . . 0.0 109.34 175.877 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 57.2 tptt 174.55 105.31 0.08 OUTLIER Pre-proline 0 C--N 1.321 -0.647 0 CA-C-N 114.589 -1.187 . . . . 0.0 110.285 -178.002 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . 0.526 ' HB2' HD11 ' A' ' 66' ' ' ILE . 4.9 Cg_exo -77.6 134.49 13.77 Favored 'Trans proline' 0 N--CA 1.457 -0.651 0 C-N-CA 122.535 2.156 . . . . 0.0 111.272 173.438 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.554 ' H ' HD13 ' A' ' 54' ' ' LEU . 5.9 m -59.32 138.09 57.75 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.961 -178.587 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 96.0 mt -62.47 -26.58 68.6 Favored 'General case' 0 N--CA 1.462 0.154 0 CA-C-N 115.67 -0.696 . . . . 0.0 112.28 -173.589 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -63.93 -47.07 89.4 Favored Glycine 0 N--CA 1.45 -0.406 0 C-N-CA 120.557 -0.83 . . . . 0.0 111.117 175.218 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.42 HD23 ' HB2' ' A' ' 62' ' ' SER . 4.3 mm? -64.44 -40.09 95.07 Favored 'General case' 0 C--O 1.218 -0.585 0 N-CA-C 110.162 -0.31 . . . . 0.0 110.162 176.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.526 HD11 ' HB2' ' A' ' 61' ' ' PRO . 37.2 mm -59.66 -43.82 92.12 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.339 0 CA-C-O 121.099 0.476 . . . . 0.0 111.108 177.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 24.3 t-20 -57.68 -42.96 84.67 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.736 -0.665 . . . . 0.0 111.006 178.721 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 23.0 ttm180 -82.8 -23.88 33.64 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.049 0.452 . . . . 0.0 110.178 -177.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' TRP . . . . . 0.569 ' CD1' HD11 ' B' ' 95' ' ' ILE . 44.2 t90 -60.84 -52.19 66.13 Favored 'General case' 0 C--N 1.324 -0.531 0 C-N-CA 123.938 0.895 . . . . 0.0 110.646 176.715 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . 0.426 ' HA3' ' HG3' ' B' ' 100' ' ' GLU . . . -69.04 -13.09 66.34 Favored Glycine 0 CA--C 1.522 0.514 0 C-N-CA 120.999 -0.619 . . . . 0.0 112.344 175.742 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 53.6 m -89.69 -2.33 58.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.914 0.387 . . . . 0.0 111.017 -179.748 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 56.8 t -78.6 138.66 19.76 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.587 0 N-CA-C 109.403 -0.592 . . . . 0.0 109.403 176.126 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -59.62 129.04 48.08 Favored Glycine 0 N--CA 1.442 -0.927 0 N-CA-C 110.356 -1.097 . . . . 0.0 110.356 174.754 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.515 ' O ' ' HG3' ' A' ' 78' ' ' MET . 0.2 OUTLIER -68.23 -23.39 64.8 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-O 121.618 0.723 . . . . 0.0 110.439 -173.425 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 20.2 tptm -74.55 -47.76 30.83 Favored 'General case' 0 C--N 1.31 -1.15 0 CA-C-N 114.498 -1.228 . . . . 0.0 109.828 170.916 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.516 ' O ' HG13 ' A' ' 80' ' ' ILE . 14.3 tp10 -62.34 -39.51 93.34 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.513 -0.767 . . . . 0.0 110.366 -178.837 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -58.16 -39.45 78.88 Favored 'General case' 0 N--CA 1.454 -0.263 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.79 178.205 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . 0.515 ' HG3' ' O ' ' A' ' 74' ' ' LYS . 89.3 mtp -60.65 -44.59 96.25 Favored 'General case' 0 CA--C 1.519 -0.243 0 CA-C-O 121.101 0.477 . . . . 0.0 109.854 176.626 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -65.31 -43.31 91.44 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.462 -0.79 . . . . 0.0 110.804 179.078 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.516 HG13 ' O ' ' A' ' 76' ' ' GLU . 86.2 mt -61.62 -53.29 50.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.64 179.047 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.449 ' O ' ' HG3' ' A' ' 85' ' ' LYS . 35.4 mm -59.67 -39.83 80.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.149 -178.578 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . 0.51 ' O ' ' HG2' ' A' ' 86' ' ' LYS . 25.2 ttmm -59.6 -51.41 69.93 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.929 0.395 . . . . 0.0 110.746 178.36 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 55.4 mtmt -71.28 -26.1 62.73 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.936 -179.492 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . 0.453 ' HA ' ' CZ ' ' B' ' 56' ' ' PHE . 7.2 t80 -64.64 -48.56 74.39 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 109.295 -0.631 . . . . 0.0 109.295 175.331 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . 0.449 ' HG3' ' O ' ' A' ' 81' ' ' ILE . 99.5 mttt -59.91 -34.65 73.49 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-N 115.513 -0.767 . . . . 0.0 110.969 177.185 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . 0.51 ' HG2' ' O ' ' A' ' 82' ' ' LYS . 74.9 mmtt -64.97 -42.03 94.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.426 179.764 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 35.9 t70 -71.97 -35.54 69.56 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.897 0.379 . . . . 0.0 110.067 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 91.5 mt -58.94 -44.71 91.43 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.026 174.463 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -62.42 -40.32 96.17 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.511 -0.768 . . . . 0.0 110.762 178.147 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . 0.625 ' O ' HG13 ' A' ' 94' ' ' ILE . . . -63.49 -46.97 83.65 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.635 179.381 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 94.9 mmm -63.5 -38.67 92.03 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.727 179.303 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 49.2 tp -59.15 -46.01 89.47 Favored 'General case' 0 C--O 1.24 0.579 0 CA-C-O 121.311 0.577 . . . . 0.0 110.571 176.538 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 71.8 mtp180 -58.75 -36.85 75.01 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.536 -0.756 . . . . 0.0 110.766 178.304 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 0.625 HG13 ' O ' ' A' ' 90' ' ' ALA . 27.8 mt -69.18 -36.71 74.3 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.628 -0.26 . . . . 0.0 110.738 179.161 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.57 HD11 ' CD1' ' B' ' 69' ' ' TRP . 19.4 mm -51.54 -53.63 15.49 Favored 'Isoleucine or valine' 0 C--O 1.235 0.326 0 CA-C-O 121.319 0.58 . . . . 0.0 110.0 175.368 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -82.85 -16.02 49.27 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.757 -0.656 . . . . 0.0 111.121 -176.144 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -66.54 -43.02 86.27 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.09 0.472 . . . . 0.0 110.696 178.457 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . 0.631 ' HD3' ' OE2' ' A' ' 100' ' ' GLU . 12.2 ptp180 -93.55 -40.23 10.41 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.915 -175.621 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 95.3 mttt 69.71 -13.38 0.4 Allowed 'General case' 0 N--CA 1.466 0.336 0 CA-C-N 115.668 -0.696 . . . . 0.0 111.874 179.705 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . 0.631 ' OE2' ' HD3' ' A' ' 98' ' ' ARG . 32.1 mm-40 49.71 44.5 24.74 Favored 'General case' 0 N--CA 1.465 0.319 0 O-C-N 123.916 0.76 . . . . 0.0 111.263 -176.502 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 14.2 mmmm 63.02 89.73 0.08 Allowed 'General case' 0 C--O 1.232 0.133 0 O-C-N 123.763 0.664 . . . . 0.0 110.306 -175.1 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 56.0 tttm -64.58 124.51 22.06 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.971 -0.559 . . . . 0.0 109.739 -179.301 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -71.95 -13.9 61.76 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.987 -0.552 . . . . 0.0 111.322 -176.203 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 . . . . . 0 C--O 1.25 1.087 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.069 179.986 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 35' ' ' ALA . . . . . 0.451 ' O ' HD23 ' B' ' 39' ' ' LEU . . . . . . . . 0 N--CA 1.478 0.955 0 CA-C-O 120.83 0.348 . . . . 0.0 110.418 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 36' ' ' GLY . . . . . . . . . . . . . . . 73.29 -174.97 46.63 Favored Glycine 0 N--CA 1.444 -0.824 0 C-N-CA 119.663 -1.256 . . . . 0.0 113.372 175.136 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 85.7 mt -78.29 -7.15 56.87 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-O 120.979 0.419 . . . . 0.0 110.05 176.553 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 75.0 mt -85.19 -33.22 22.32 Favored 'General case' 0 N--CA 1.453 -0.288 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.046 -179.451 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 39' ' ' LEU . . . . . 0.451 HD23 ' O ' ' B' ' 35' ' ' ALA . 3.6 mm? -102.37 -30.77 10.85 Favored 'General case' 0 N--CA 1.451 -0.406 0 CA-C-N 115.998 -0.546 . . . . 0.0 109.664 177.553 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . 120.9 44.14 0.42 Allowed Glycine 0 N--CA 1.453 -0.221 0 C-N-CA 119.355 -1.402 . . . . 0.0 114.339 169.736 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 41' ' ' HIS . . . . . 0.402 ' HB2' ' CB ' ' B' ' 35' ' ' ALA . 28.2 t60 -96.46 99.8 11.44 Favored 'General case' 0 C--N 1.319 -0.729 0 N-CA-C 109.032 -0.729 . . . . 0.0 109.032 171.447 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 42' ' ' GLY . . . . . . . . . . . . . . . -97.66 116.76 5.61 Favored Glycine 0 N--CA 1.442 -0.96 0 C-N-CA 120.518 -0.848 . . . . 0.0 112.75 -177.281 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 43' ' ' PRO . . . . . 0.569 ' HD2' ' SD ' ' B' ' 46' ' ' MET . 26.3 Cg_exo -64.58 179.13 1.39 Allowed 'Trans proline' 0 C--N 1.344 0.297 0 C-N-CA 122.713 2.275 . . . . 0.0 110.772 169.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 35.1 pt -52.78 -39.74 32.37 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.422 0 N-CA-C 112.541 0.571 . . . . 0.0 112.541 -172.401 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 45' ' ' ARG . . . . . 0.409 ' HA ' HD13 ' B' ' 80' ' ' ILE . 97.0 mtt180 -60.8 -48.21 82.84 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-O 121.175 0.512 . . . . 0.0 110.643 177.756 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 46' ' ' MET . . . . . 0.569 ' SD ' ' HD2' ' B' ' 43' ' ' PRO . 1.9 mpt? -69.87 -27.93 65.23 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.844 -0.617 . . . . 0.0 110.91 -179.118 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 47' ' ' VAL . . . . . 0.548 HG23 ' O ' ' B' ' 43' ' ' PRO . 90.8 t -58.44 -46.66 89.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 N-CA-C 110.172 -0.307 . . . . 0.0 110.172 176.182 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 11.0 mp -68.37 -31.8 71.43 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.012 177.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -66.59 -50.17 63.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.962 0.41 . . . . 0.0 110.995 175.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 50' ' ' ILE . . . . . 0.545 HG13 ' O ' ' B' ' 46' ' ' MET . 54.9 mt -66.91 -29.91 47.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 115.983 -0.553 . . . . 0.0 109.785 178.297 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 51' ' ' LEU . . . . . 0.531 ' O ' ' HG2' ' B' ' 55' ' ' ARG . 16.5 tp -58.32 -56.63 19.6 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.602 -0.726 . . . . 0.0 110.091 174.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -56.66 -39.33 73.55 Favored 'General case' 0 CA--C 1.519 -0.217 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.822 179.779 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 53' ' ' PHE . . . . . 0.431 ' HB3' ' O ' ' B' ' 50' ' ' ILE . 90.3 t80 -52.78 -58.38 7.08 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.779 -0.646 . . . . 0.0 109.697 173.609 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 54' ' ' LEU . . . . . 0.56 HD13 ' H ' ' B' ' 62' ' ' SER . 83.8 mt -70.47 -6.6 37.11 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 112.138 0.422 . . . . 0.0 112.138 -178.277 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 55' ' ' ARG . . . . . 0.531 ' HG2' ' O ' ' B' ' 51' ' ' LEU . 25.1 mmm180 -88.05 -35.44 17.53 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.902 0.382 . . . . 0.0 111.304 177.789 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 56' ' ' PHE . . . . . 0.453 ' CZ ' ' HA ' ' A' ' 84' ' ' PHE . 67.6 m-85 -110.25 -12.43 14.46 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.941 -176.085 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 57' ' ' THR . . . . . . . . . . . . . 22.2 p -108.34 4.5 24.56 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.024 0.44 . . . . 0.0 110.747 177.82 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -164.53 166.43 20.36 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.44 -177.482 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 59' ' ' ILE . . . . . . . . . . . . . 18.9 mm -117.6 50.85 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-O 121.862 0.839 . . . . 0.0 109.416 175.826 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 57.2 tptt 174.62 105.38 0.08 OUTLIER Pre-proline 0 C--N 1.321 -0.662 0 CA-C-N 114.621 -1.172 . . . . 0.0 110.344 -178.148 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 61' ' ' PRO . . . . . 0.513 ' HB2' HD11 ' B' ' 66' ' ' ILE . 5.0 Cg_exo -77.69 134.15 13.36 Favored 'Trans proline' 0 N--CA 1.458 -0.608 0 C-N-CA 122.474 2.116 . . . . 0.0 111.269 173.603 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 62' ' ' SER . . . . . 0.56 ' H ' HD13 ' B' ' 54' ' ' LEU . 6.2 m -58.96 137.94 57.67 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.989 -178.597 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 96.3 mt -62.42 -26.35 68.44 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 115.624 -0.716 . . . . 0.0 112.327 -173.8 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -64.17 -46.85 89.91 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.367 -0.92 . . . . 0.0 111.248 174.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 65' ' ' LEU . . . . . 0.424 HD23 ' HB2' ' B' ' 62' ' ' SER . 4.3 mm? -64.59 -39.99 94.72 Favored 'General case' 0 C--O 1.218 -0.587 0 CA-C-N 115.531 -0.335 . . . . 0.0 110.175 177.023 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 66' ' ' ILE . . . . . 0.513 HD11 ' HB2' ' B' ' 61' ' ' PRO . 36.7 mm -59.81 -43.77 92.56 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.327 0 CA-C-O 121.12 0.486 . . . . 0.0 111.061 178.046 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 67' ' ' ASN . . . . . . . . . . . . . 24.2 t-20 -57.7 -43.05 84.88 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.735 -0.666 . . . . 0.0 111.046 178.8 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 68' ' ' ARG . . . . . . . . . . . . . 22.8 ttm180 -82.62 -23.98 34.07 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.106 0.479 . . . . 0.0 110.246 -178.138 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 69' ' ' TRP . . . . . 0.57 ' CD1' HD11 ' A' ' 95' ' ' ILE . 44.3 t90 -60.77 -52.15 66.3 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.107 -0.951 . . . . 0.0 110.662 176.732 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 70' ' ' GLY . . . . . 0.436 ' HA3' ' HG3' ' A' ' 100' ' ' GLU . . . -69.22 -12.84 66.49 Favored Glycine 0 CA--C 1.521 0.453 0 C-N-CA 120.952 -0.642 . . . . 0.0 112.409 175.724 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 71' ' ' SER . . . . . . . . . . . . . 51.7 m -90.08 -1.51 57.97 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.874 0.368 . . . . 0.0 111.001 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 72' ' ' VAL . . . . . . . . . . . . . 56.0 t -79.35 138.46 19.96 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 N-CA-C 109.495 -0.557 . . . . 0.0 109.495 175.857 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 73' ' ' GLY . . . . . . . . . . . . . . . -59.36 129.07 48.55 Favored Glycine 0 N--CA 1.441 -0.985 0 N-CA-C 110.481 -1.048 . . . . 0.0 110.481 174.811 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 74' ' ' LYS . . . . . 0.523 ' O ' ' HG3' ' B' ' 78' ' ' MET . 0.2 OUTLIER -68.46 -22.82 64.55 Favored 'General case' 0 C--N 1.317 -0.829 0 CA-C-O 121.709 0.766 . . . . 0.0 110.392 -173.506 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 75' ' ' LYS . . . . . . . . . . . . . 20.2 tptm -75.12 -47.96 26.1 Favored 'General case' 0 C--N 1.31 -1.133 0 CA-C-N 114.521 -1.218 . . . . 0.0 109.71 170.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 76' ' ' GLU . . . . . 0.515 ' O ' HG13 ' B' ' 80' ' ' ILE . 14.6 tp10 -62.07 -39.75 93.47 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.537 -0.756 . . . . 0.0 110.457 -178.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 77' ' ' ALA . . . . . . . . . . . . . . . -57.9 -39.5 78.06 Favored 'General case' 0 N--CA 1.453 -0.289 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.729 178.242 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 78' ' ' MET . . . . . 0.523 ' HG3' ' O ' ' B' ' 74' ' ' LYS . 90.3 mtp -60.78 -44.56 96.63 Favored 'General case' 0 CA--C 1.519 -0.231 0 N-CA-C 109.73 -0.47 . . . . 0.0 109.73 176.779 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 79' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -65.41 -43.18 91.37 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.467 -0.788 . . . . 0.0 110.742 179.26 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 80' ' ' ILE . . . . . 0.515 HG13 ' O ' ' B' ' 76' ' ' GLU . 85.8 mt -61.67 -53.43 48.46 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.617 178.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 81' ' ' ILE . . . . . 0.448 ' O ' ' HG3' ' B' ' 85' ' ' LYS . 35.5 mm -59.61 -39.89 80.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.139 -178.493 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 82' ' ' LYS . . . . . 0.503 ' O ' ' HG2' ' B' ' 86' ' ' LYS . 25.2 ttmm -59.56 -51.24 70.7 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.881 0.372 . . . . 0.0 110.757 178.42 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 83' ' ' LYS . . . . . . . . . . . . . 55.4 mtmt -71.25 -26.52 62.94 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.924 -179.522 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 84' ' ' PHE . . . . . 0.437 ' HA ' ' CZ ' ' A' ' 56' ' ' PHE . 7.2 t80 -64.25 -48.62 75.06 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 109.298 -0.63 . . . . 0.0 109.298 175.459 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 85' ' ' LYS . . . . . 0.448 ' HG3' ' O ' ' B' ' 81' ' ' ILE . 99.4 mttt -59.75 -34.82 73.46 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-N 115.547 -0.751 . . . . 0.0 110.967 177.194 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 86' ' ' LYS . . . . . 0.503 ' HG2' ' O ' ' B' ' 82' ' ' LYS . 74.9 mmtt -65.09 -41.42 95.03 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.548 179.816 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 87' ' ' ASP . . . . . . . . . . . . . 35.3 t70 -72.28 -35.63 68.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.823 0.344 . . . . 0.0 110.134 179.564 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 91.8 mt -58.98 -44.78 91.61 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.055 174.49 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -62.32 -40.43 96.32 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.494 -0.776 . . . . 0.0 110.697 178.257 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 90' ' ' ALA . . . . . 0.624 ' O ' HG13 ' B' ' 94' ' ' ILE . . . -63.34 -46.96 84.19 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.741 179.302 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 91' ' ' MET . . . . . . . . . . . . . 94.9 mmm -63.71 -38.77 92.36 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.581 179.288 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 92' ' ' LEU . . . . . . . . . . . . . 49.6 tp -59.02 -45.86 89.64 Favored 'General case' 0 C--O 1.24 0.553 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.618 176.58 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 93' ' ' ARG . . . . . . . . . . . . . 72.1 mtp180 -58.76 -37.1 75.49 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.503 -0.771 . . . . 0.0 110.788 178.113 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 94' ' ' ILE . . . . . 0.624 HG13 ' O ' ' B' ' 90' ' ' ALA . 27.9 mt -68.84 -36.74 75.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.749 -0.205 . . . . 0.0 110.758 179.267 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 95' ' ' ILE . . . . . 0.569 HD11 ' CD1' ' A' ' 69' ' ' TRP . 19.4 mm -51.42 -53.93 13.86 Favored 'Isoleucine or valine' 0 C--O 1.236 0.354 0 CA-C-O 121.351 0.596 . . . . 0.0 109.929 175.416 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 96' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -82.83 -15.99 49.47 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.736 -0.665 . . . . 0.0 111.155 -176.01 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 97' ' ' ALA . . . . . . . . . . . . . . . -66.45 -43.32 85.87 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 121.033 0.444 . . . . 0.0 110.747 178.268 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 98' ' ' ARG . . . . . 0.601 ' HD3' ' OE2' ' B' ' 100' ' ' GLU . 12.3 ptp180 -93.37 -40.01 10.62 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.765 -0.652 . . . . 0.0 111.027 -175.673 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 99' ' ' LYS . . . . . . . . . . . . . 95.4 mttt 69.59 -13.4 0.39 Allowed 'General case' 0 N--CA 1.467 0.382 0 CA-C-N 115.71 -0.677 . . . . 0.0 111.994 179.658 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 100' ' ' GLU . . . . . 0.601 ' OE2' ' HD3' ' B' ' 98' ' ' ARG . 28.8 mm-40 49.45 45.03 24.13 Favored 'General case' 0 N--CA 1.465 0.312 0 O-C-N 124.006 0.816 . . . . 0.0 111.209 -176.275 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 101' ' ' LYS . . . . . . . . . . . . . 14.3 mmmm 62.78 89.8 0.08 Allowed 'General case' 0 C--O 1.232 0.138 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.342 -175.307 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 102' ' ' LYS . . . . . . . . . . . . . 55.7 tttm -64.67 124.51 22.09 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.114 -0.494 . . . . 0.0 109.917 -179.193 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 103' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -71.89 -14.04 61.83 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.34 -176.112 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 104' ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 . . . . . 0 C--O 1.248 0.977 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.157 179.936 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.043 0 CA-C-O 121.002 0.429 . . . . 0.0 110.396 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -62.8 -29.2 73.28 Favored Glycine 0 N--CA 1.451 -0.363 0 CA-C-N 116.073 -0.512 . . . . 0.0 113.187 -175.731 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -74.49 -19.62 60.3 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 120.613 0.244 . . . . 0.0 111.015 -179.228 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 82.2 mt -99.91 -42.3 6.84 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.893 0.378 . . . . 0.0 110.717 -177.458 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -83.01 -16.73 45.97 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.112 -178.634 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 81.26 4.41 90.47 Favored Glycine 0 N--CA 1.449 -0.453 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.368 178.91 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 65.8 t60 -102.75 107.28 18.11 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 110.333 -0.247 . . . . 0.0 110.333 -179.672 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -98.39 120.02 6.66 Favored Glycine 0 N--CA 1.445 -0.733 0 C-N-CA 120.503 -0.856 . . . . 0.0 112.21 177.304 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.506 ' HD2' ' SD ' ' A' ' 46' ' ' MET . 39.8 Cg_exo -62.18 174.45 2.57 Favored 'Trans proline' 0 C--N 1.345 0.388 0 C-N-CA 122.883 2.388 . . . . 0.0 111.591 173.321 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 22.7 pt -52.38 -41.54 35.47 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.406 0 N-CA-C 112.64 0.607 . . . . 0.0 112.64 -173.384 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 -56.9 -46.87 81.65 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-O 121.354 0.597 . . . . 0.0 110.615 176.747 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . 0.558 ' HG2' ' HA ' ' B' ' 57' ' ' THR . 70.3 mtp -70.04 -24.3 63.24 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.332 -0.849 . . . . 0.0 111.259 -178.753 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.484 HG23 ' O ' ' A' ' 43' ' ' PRO . 84.4 t -65.73 -48.83 80.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.622 0.249 . . . . 0.0 110.584 177.837 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -62.27 -39.62 93.52 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.931 0.396 . . . . 0.0 110.381 176.865 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -67.78 -48.18 67.05 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.741 -179.045 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.43 ' O ' ' HG ' ' A' ' 54' ' ' LEU . 15.0 tt -69.73 -28.61 37.9 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-O 120.61 0.243 . . . . 0.0 110.674 -177.666 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.641 HD23 ' SD ' ' B' ' 91' ' ' MET . 7.6 tp -68.61 -49.99 54.95 Favored 'General case' 0 N--CA 1.449 -0.506 0 C-N-CA 120.484 -0.486 . . . . 0.0 109.736 179.186 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -57.34 -39.19 75.39 Favored 'General case' 0 CA--C 1.517 -0.302 0 CA-C-O 121.217 0.532 . . . . 0.0 110.199 176.583 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.416 ' HB3' ' O ' ' A' ' 50' ' ' ILE . 88.7 t80 -54.75 -58.76 6.25 Favored 'General case' 0 N--CA 1.45 -0.445 0 CA-C-N 115.295 -0.866 . . . . 0.0 109.538 173.011 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.43 ' HG ' ' O ' ' A' ' 50' ' ' ILE . 89.1 mt -62.28 -18.05 60.25 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.827 -179.61 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.527 ' HG2' ' O ' ' A' ' 51' ' ' LEU . 26.2 mmm180 -77.83 -50.86 11.45 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.807 0.337 . . . . 0.0 111.358 178.376 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . 0.544 ' CZ ' ' HA ' ' B' ' 84' ' ' PHE . 54.7 m-85 -96.02 -7.7 35.58 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 112.415 0.524 . . . . 0.0 112.415 -174.043 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . 0.556 ' HA ' ' HG2' ' B' ' 46' ' ' MET . 31.5 p -107.58 -30.51 8.57 Favored 'General case' 0 C--N 1.323 -0.546 0 C-N-CA 120.075 -0.65 . . . . 0.0 111.467 176.808 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -128.48 -176.56 3.86 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.235 -172.092 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 74.3 mt -120.92 118.77 57.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.15 176.357 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 57.2 tptt 68.27 98.41 0.04 OUTLIER Pre-proline 0 N--CA 1.464 0.252 0 O-C-N 124.09 0.869 . . . . 0.0 111.207 179.474 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 33.8 Cg_exo -61.23 149.68 88.17 Favored 'Trans proline' 0 C--O 1.233 0.241 0 C-N-CA 122.957 2.438 . . . . 0.0 112.216 177.192 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.454 ' HB2' HD23 ' A' ' 65' ' ' LEU . 3.9 m -65.25 139.12 58.6 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.877 -0.601 . . . . 0.0 111.161 -177.794 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -63.56 -21.12 66.17 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.395 -0.821 . . . . 0.0 112.333 -173.022 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -65.67 -44.91 91.68 Favored Glycine 0 C--O 1.238 0.381 0 C-N-CA 120.591 -0.814 . . . . 0.0 111.575 176.115 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.454 HD23 ' HB2' ' A' ' 62' ' ' SER . 3.3 mm? -66.46 -35.45 80.32 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 109.433 -0.58 . . . . 0.0 109.433 175.771 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.448 ' O ' ' HB3' ' A' ' 69' ' ' TRP . 35.6 mm -63.22 -35.05 70.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 115.822 -0.627 . . . . 0.0 110.668 176.798 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 28.1 t-20 -65.51 -43.17 90.92 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.88 178.397 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 33.4 ttm180 -82.48 -18.38 41.85 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.36 0.6 . . . . 0.0 110.255 -179.276 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' TRP . . . . . 0.577 ' NE1' HD11 ' B' ' 95' ' ' ILE . 22.7 t90 -55.58 -47.97 75.59 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.098 -0.956 . . . . 0.0 110.399 175.844 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . 0.417 ' HA2' ' HG3' ' B' ' 98' ' ' ARG . . . -82.34 8.14 62.22 Favored Glycine 0 N--CA 1.447 -0.602 0 C-N-CA 120.885 -0.674 . . . . 0.0 112.794 177.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 17.0 t -92.1 -11.02 36.88 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 109.529 -0.545 . . . . 0.0 109.529 177.235 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 17.4 t -74.94 136.63 24.71 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 N-CA-C 108.749 -0.834 . . . . 0.0 108.749 174.797 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -77.36 35.98 1.55 Allowed Glycine 0 CA--C 1.52 0.399 0 N-CA-C 114.654 0.622 . . . . 0.0 114.654 -170.356 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 58.0 mttp 62.19 -71.45 0.05 OUTLIER 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 123.734 0.814 . . . . 0.0 112.626 175.205 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 21.7 tptm -58.49 -36.76 74.26 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.898 0.38 . . . . 0.0 110.337 178.141 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.425 ' O ' HG13 ' A' ' 80' ' ' ILE . 16.0 tp10 -60.93 -42.9 99.06 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.012 -0.54 . . . . 0.0 109.967 176.725 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.416 ' O ' HG12 ' A' ' 81' ' ' ILE . . . -62.82 -38.53 91.11 Favored 'General case' 0 C--O 1.223 -0.31 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.404 178.91 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 65.1 mtt -58.89 -39.91 82.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.163 0.506 . . . . 0.0 110.246 177.893 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 18.2 mm-40 -71.31 -45.73 62.36 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.424 -0.807 . . . . 0.0 111.08 178.743 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.425 HG13 ' O ' ' A' ' 76' ' ' GLU . 89.2 mt -60.8 -50.02 82.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.793 178.587 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.416 HG12 ' O ' ' A' ' 77' ' ' ALA . 36.2 mm -64.31 -35.5 74.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.353 -178.153 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 23.3 tptm -63.0 -44.67 95.38 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.912 0.387 . . . . 0.0 110.1 177.774 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 63.9 tttm -70.6 -32.39 69.74 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.042 178.417 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . 0.545 ' HA ' ' CZ ' ' B' ' 56' ' ' PHE . 5.2 t80 -62.33 -53.73 50.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.619 -0.718 . . . . 0.0 109.748 177.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -59.15 -36.59 75.53 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.927 177.207 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 53.5 tptt -66.64 -40.55 88.74 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.766 -179.36 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -68.58 -38.07 80.39 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 109.595 -0.52 . . . . 0.0 109.595 178.749 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.541 ' HG ' ' O ' ' A' ' 84' ' ' PHE . 92.7 mt -62.16 -37.02 83.63 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.559 175.644 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.51 ' O ' ' HG3' ' A' ' 93' ' ' ARG . . . -62.72 -48.83 77.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.724 179.356 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . 0.563 ' O ' HG13 ' A' ' 94' ' ' ILE . . . -61.7 -45.61 93.22 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.236 177.602 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' MET . . . . . 0.628 ' SD ' HD23 ' B' ' 51' ' ' LEU . 49.8 ttp -56.2 -44.49 79.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.44 -0.8 . . . . 0.0 110.716 178.181 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 67.2 tp -57.82 -41.83 83.06 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.613 -0.721 . . . . 0.0 111.16 179.157 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . 0.51 ' HG3' ' O ' ' A' ' 89' ' ' ALA . 30.6 mtm180 -64.37 -34.16 77.53 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.533 -179.63 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 0.563 HG13 ' O ' ' A' ' 90' ' ' ALA . 11.5 mt -74.46 -26.32 20.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.509 179.076 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.582 HD11 ' NE1' ' B' ' 69' ' ' TRP . 21.9 mm -60.88 -44.87 98.7 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.196 0 CA-C-O 121.756 0.789 . . . . 0.0 109.124 171.613 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 45.3 t30 -65.14 -29.27 70.1 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.168 -0.924 . . . . 0.0 109.849 176.345 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -82.36 2.29 33.03 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.681 -0.691 . . . . 0.0 111.566 178.755 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . 0.428 ' HG3' ' HA2' ' B' ' 70' ' ' GLY . 6.4 mmp_? -77.33 60.77 2.06 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-O 121.387 0.613 . . . . 0.0 109.781 175.837 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 50.8 tttm 174.62 -49.44 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 107.481 -1.303 . . . . 0.0 107.481 -177.241 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . 0.524 ' O ' ' HB2' ' A' ' 101' ' ' LYS . 39.5 tt0 177.37 -66.16 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 113.382 -1.735 . . . . 0.0 108.029 -179.853 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . 0.524 ' HB2' ' O ' ' A' ' 100' ' ' GLU . 4.8 tppp? 161.33 -38.05 0.0 OUTLIER 'General case' 0 C--O 1.234 0.266 0 CA-C-N 114.425 -1.261 . . . . 0.0 108.319 -178.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 55.1 mtmt -93.14 142.13 27.65 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 114.835 -1.075 . . . . 0.0 110.094 178.097 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 6.5 ppt_? -78.26 -4.94 50.37 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.542 -176.838 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 80.7 mtp180 . . . . . 0 C--O 1.246 0.912 0 CA-C-O 118.642 -0.694 . . . . 0.0 110.037 175.579 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 0.972 0 CA-C-O 121.05 0.452 . . . . 0.0 110.522 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 36' ' ' GLY . . . . . . . . . . . . . . . -62.68 -28.99 72.45 Favored Glycine 0 N--CA 1.45 -0.376 0 CA-C-N 115.873 -0.603 . . . . 0.0 113.239 -175.824 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -74.71 -19.8 60.1 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 120.614 0.245 . . . . 0.0 111.032 -179.338 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 82.0 mt -99.8 -42.06 6.99 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.912 0.386 . . . . 0.0 110.643 -177.376 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -83.3 -16.73 45.08 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.096 -178.623 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . 81.36 4.35 90.46 Favored Glycine 0 N--CA 1.449 -0.447 0 C-N-CA 120.85 -0.69 . . . . 0.0 112.304 178.918 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 41' ' ' HIS . . . . . . . . . . . . . 65.9 t60 -102.92 107.3 18.07 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.704 0.287 . . . . 0.0 110.294 -179.492 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 42' ' ' GLY . . . . . . . . . . . . . . . -98.65 119.79 6.6 Favored Glycine 0 N--CA 1.444 -0.783 0 C-N-CA 120.466 -0.873 . . . . 0.0 112.24 177.492 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 43' ' ' PRO . . . . . 0.495 ' HD2' ' SD ' ' B' ' 46' ' ' MET . 39.1 Cg_exo -61.95 174.79 2.19 Favored 'Trans proline' 0 C--N 1.346 0.42 0 C-N-CA 122.841 2.361 . . . . 0.0 111.579 173.558 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 22.3 pt -52.64 -41.47 37.77 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.423 0 N-CA-C 112.669 0.618 . . . . 0.0 112.669 -173.405 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 -56.96 -46.94 81.81 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-O 121.356 0.598 . . . . 0.0 110.595 176.715 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 46' ' ' MET . . . . . 0.556 ' HG2' ' HA ' ' A' ' 57' ' ' THR . 70.7 mtp -69.89 -24.39 63.39 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.364 -0.834 . . . . 0.0 111.253 -178.829 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 47' ' ' VAL . . . . . 0.479 HG23 ' O ' ' B' ' 43' ' ' PRO . 84.6 t -65.63 -48.98 80.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-O 120.63 0.252 . . . . 0.0 110.493 177.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -62.19 -39.66 93.46 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.988 0.423 . . . . 0.0 110.338 177.047 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -67.72 -48.17 67.26 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.893 -0.594 . . . . 0.0 111.688 -178.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 50' ' ' ILE . . . . . 0.445 ' O ' ' HG ' ' B' ' 54' ' ' LEU . 15.0 tt -69.71 -28.71 38.3 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 CA-C-O 120.596 0.236 . . . . 0.0 110.599 -177.578 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 51' ' ' LEU . . . . . 0.628 HD23 ' SD ' ' A' ' 91' ' ' MET . 7.5 tp -68.56 -49.97 55.42 Favored 'General case' 0 N--CA 1.448 -0.541 0 C-N-CA 120.483 -0.487 . . . . 0.0 109.819 179.172 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -57.37 -39.09 75.29 Favored 'General case' 0 CA--C 1.518 -0.267 0 CA-C-O 121.109 0.48 . . . . 0.0 110.193 176.503 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 53' ' ' PHE . . . . . 0.415 ' HB3' ' O ' ' B' ' 50' ' ' ILE . 88.9 t80 -54.91 -58.54 7.21 Favored 'General case' 0 N--CA 1.448 -0.534 0 CA-C-N 115.302 -0.863 . . . . 0.0 109.581 173.048 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 54' ' ' LEU . . . . . 0.445 ' HG ' ' O ' ' B' ' 50' ' ' ILE . 88.7 mt -62.45 -18.21 61.23 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.85 -179.622 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 55' ' ' ARG . . . . . 0.522 ' HG2' ' O ' ' B' ' 51' ' ' LEU . 26.2 mmm180 -77.61 -51.06 11.26 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.921 0.391 . . . . 0.0 111.291 178.366 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 56' ' ' PHE . . . . . 0.545 ' CZ ' ' HA ' ' A' ' 84' ' ' PHE . 54.3 m-85 -95.76 -7.76 36.3 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 112.395 0.517 . . . . 0.0 112.395 -173.888 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 57' ' ' THR . . . . . 0.558 ' HA ' ' HG2' ' A' ' 46' ' ' MET . 31.1 p -107.61 -30.67 8.47 Favored 'General case' 0 C--N 1.323 -0.56 0 C-N-CA 120.031 -0.668 . . . . 0.0 111.366 176.893 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -128.77 -177.15 4.08 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.18 -171.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 59' ' ' ILE . . . . . . . . . . . . . 75.6 mt -120.49 118.25 56.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.109 176.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 57.2 tptt 68.62 98.44 0.04 OUTLIER Pre-proline 0 C--O 1.234 0.269 0 O-C-N 123.99 0.806 . . . . 0.0 111.193 179.53 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 61' ' ' PRO . . . . . . . . . . . . . 34.9 Cg_exo -61.32 149.45 89.39 Favored 'Trans proline' 0 C--O 1.233 0.25 0 C-N-CA 123.059 2.506 . . . . 0.0 112.269 177.155 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 62' ' ' SER . . . . . 0.469 ' HB2' HD23 ' B' ' 65' ' ' LEU . 3.7 m -65.05 138.95 58.66 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.085 -177.848 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -63.5 -20.97 66.05 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.347 -0.842 . . . . 0.0 112.237 -172.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -66.06 -44.67 90.91 Favored Glycine 0 C--O 1.239 0.437 0 C-N-CA 120.681 -0.771 . . . . 0.0 111.543 176.313 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 65' ' ' LEU . . . . . 0.469 HD23 ' HB2' ' B' ' 62' ' ' SER . 3.3 mm? -66.53 -35.48 80.35 Favored 'General case' 0 C--O 1.222 -0.363 0 N-CA-C 109.488 -0.56 . . . . 0.0 109.488 175.571 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 66' ' ' ILE . . . . . 0.474 ' O ' ' HB3' ' B' ' 69' ' ' TRP . 35.7 mm -63.32 -35.2 71.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.691 176.792 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 67' ' ' ASN . . . . . . . . . . . . . 28.0 t-20 -65.46 -43.21 91.03 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.685 178.405 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 68' ' ' ARG . . . . . . . . . . . . . 33.3 ttm180 -82.38 -18.4 42.16 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.391 0.615 . . . . 0.0 110.246 -179.224 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 69' ' ' TRP . . . . . 0.582 ' NE1' HD11 ' A' ' 95' ' ' ILE . 22.7 t90 -55.58 -47.85 75.76 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.089 -0.96 . . . . 0.0 110.464 175.914 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 70' ' ' GLY . . . . . 0.428 ' HA2' ' HG3' ' A' ' 98' ' ' ARG . . . -82.8 8.68 61.9 Favored Glycine 0 N--CA 1.448 -0.557 0 C-N-CA 120.91 -0.662 . . . . 0.0 112.773 178.014 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 71' ' ' SER . . . . . . . . . . . . . 13.8 t -92.4 -11.16 35.63 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 109.518 -0.549 . . . . 0.0 109.518 177.046 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 72' ' ' VAL . . . . . . . . . . . . . 17.6 t -74.8 136.49 25.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 N-CA-C 108.77 -0.826 . . . . 0.0 108.77 174.855 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 73' ' ' GLY . . . . . . . . . . . . . . . -76.97 35.53 1.46 Allowed Glycine 0 CA--C 1.522 0.492 0 N-CA-C 114.705 0.642 . . . . 0.0 114.705 -170.298 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 74' ' ' LYS . . . . . 0.4 ' HA ' HG22 ' A' ' 95' ' ' ILE . 58.0 mttp 62.4 -71.3 0.05 OUTLIER 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 123.762 0.825 . . . . 0.0 112.566 175.411 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 75' ' ' LYS . . . . . . . . . . . . . 21.8 tptm -58.77 -36.66 74.77 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.918 0.39 . . . . 0.0 110.262 178.372 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 76' ' ' GLU . . . . . 0.4 ' O ' HG13 ' B' ' 80' ' ' ILE . 15.8 tp10 -60.9 -43.15 98.91 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.003 -0.544 . . . . 0.0 109.884 176.652 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 77' ' ' ALA . . . . . 0.411 ' O ' HG12 ' B' ' 81' ' ' ILE . . . -62.58 -38.53 90.47 Favored 'General case' 0 C--O 1.224 -0.259 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.435 178.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 78' ' ' MET . . . . . . . . . . . . . 65.1 mtt -59.04 -39.55 82.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.123 0.487 . . . . 0.0 110.262 177.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 79' ' ' GLU . . . . . . . . . . . . . 19.8 mm-40 -71.75 -45.64 61.07 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.503 -0.771 . . . . 0.0 111.134 178.664 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 80' ' ' ILE . . . . . 0.4 HG13 ' O ' ' B' ' 76' ' ' GLU . 89.2 mt -60.67 -50.14 81.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.778 178.362 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 81' ' ' ILE . . . . . 0.411 HG12 ' O ' ' B' ' 77' ' ' ALA . 36.2 mm -64.35 -35.34 73.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.282 -178.074 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 82' ' ' LYS . . . . . . . . . . . . . 23.2 tptm -63.17 -44.47 95.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.975 0.417 . . . . 0.0 110.121 177.902 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 83' ' ' LYS . . . . . . . . . . . . . 63.7 tttm -70.77 -32.32 69.42 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.124 178.251 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 84' ' ' PHE . . . . . 0.544 ' HA ' ' CZ ' ' A' ' 56' ' ' PHE . 5.3 t80 -62.34 -53.68 51.57 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.649 -0.705 . . . . 0.0 109.798 177.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 85' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -59.03 -36.77 75.55 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.852 177.106 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 86' ' ' LYS . . . . . . . . . . . . . 53.7 tptt -66.75 -40.13 88.18 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.855 -179.234 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 87' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -68.61 -38.41 80.56 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 109.52 -0.548 . . . . 0.0 109.52 178.505 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 88' ' ' LEU . . . . . 0.541 ' HG ' ' O ' ' B' ' 84' ' ' PHE . 92.7 mt -62.01 -37.16 83.84 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.552 175.888 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 89' ' ' ALA . . . . . 0.532 ' O ' ' HG3' ' B' ' 93' ' ' ARG . . . -62.59 -48.66 78.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.78 179.336 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 90' ' ' ALA . . . . . 0.555 ' O ' HG13 ' B' ' 94' ' ' ILE . . . -61.96 -45.61 92.89 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.276 177.573 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 91' ' ' MET . . . . . 0.641 ' SD ' HD23 ' A' ' 51' ' ' LEU . 49.5 ttp -56.1 -44.62 79.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.489 -0.778 . . . . 0.0 110.744 178.004 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 92' ' ' LEU . . . . . . . . . . . . . 67.4 tp -57.64 -41.92 82.38 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.599 -0.728 . . . . 0.0 111.255 179.116 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 93' ' ' ARG . . . . . 0.532 ' HG3' ' O ' ' B' ' 89' ' ' ALA . 30.7 mtm180 -64.35 -34.12 77.42 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.514 -179.645 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 94' ' ' ILE . . . . . 0.555 HG13 ' O ' ' B' ' 90' ' ' ALA . 11.9 mt -74.45 -26.4 20.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.421 179.096 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 95' ' ' ILE . . . . . 0.577 HD11 ' NE1' ' A' ' 69' ' ' TRP . 22.1 mm -60.9 -44.76 98.54 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.151 0 CA-C-O 121.705 0.764 . . . . 0.0 109.107 171.812 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 96' ' ' ASN . . . . . . . . . . . . . 45.6 t30 -65.12 -29.34 70.19 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.167 -0.924 . . . . 0.0 109.82 176.316 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 97' ' ' ALA . . . . . . . . . . . . . . . -82.36 2.39 32.55 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.67 -0.696 . . . . 0.0 111.702 178.791 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 98' ' ' ARG . . . . . 0.417 ' HG3' ' HA2' ' A' ' 70' ' ' GLY . 6.4 mmp_? -77.47 61.07 2.19 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-O 121.534 0.683 . . . . 0.0 109.646 175.745 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 99' ' ' LYS . . . . . . . . . . . . . 50.9 tttm 174.53 -49.9 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 107.333 -1.358 . . . . 0.0 107.333 -177.446 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 100' ' ' GLU . . . . . 0.515 ' O ' ' HB2' ' B' ' 101' ' ' LYS . 39.2 tt0 177.68 -66.37 0.01 OUTLIER 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 113.352 -1.749 . . . . 0.0 108.024 -179.737 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 101' ' ' LYS . . . . . 0.515 ' HB2' ' O ' ' B' ' 100' ' ' GLU . 4.7 tppp? 161.81 -38.7 0.0 OUTLIER 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 114.437 -1.256 . . . . 0.0 108.133 -179.047 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 102' ' ' LYS . . . . . . . . . . . . . 54.9 mtmt -92.49 142.87 26.94 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 114.937 -1.029 . . . . 0.0 110.095 178.152 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 103' ' ' ARG . . . . . . . . . . . . . 6.5 ppt_? -78.98 -4.7 51.26 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.488 -176.678 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 104' ' ' ARG . . . . . . . . . . . . . 80.6 mtp180 . . . . . 0 C--O 1.246 0.917 0 CA-C-O 118.662 -0.685 . . . . 0.0 110.02 175.602 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.057 0 CA-C-O 120.826 0.346 . . . . 0.0 110.797 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -60.14 -28.61 66.85 Favored Glycine 0 N--CA 1.451 -0.341 0 CA-C-N 115.952 -0.567 . . . . 0.0 112.589 -179.299 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 92.7 mt -64.16 -22.95 67.14 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 120.875 0.369 . . . . 0.0 111.057 178.328 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 86.9 mt -94.65 -32.86 13.2 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.877 0.37 . . . . 0.0 110.639 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -83.58 -11.84 56.85 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.464 -178.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 88.1 31.37 14.65 Favored Glycine 0 N--CA 1.448 -0.515 0 C-N-CA 120.669 -0.776 . . . . 0.0 111.888 179.812 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 55.6 t-80 -133.53 70.49 1.46 Allowed 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 109.574 -0.528 . . . . 0.0 109.574 -179.528 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -97.92 175.87 30.29 Favored Glycine 0 N--CA 1.447 -0.587 0 C-N-CA 120.706 -0.759 . . . . 0.0 111.694 179.195 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.454 ' O ' HG23 ' A' ' 47' ' ' VAL . 32.4 Cg_exo -59.77 170.56 3.46 Favored 'Trans proline' 0 C--N 1.344 0.336 0 C-N-CA 123.028 2.485 . . . . 0.0 112.252 177.325 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.604 ' HB ' HG13 ' A' ' 72' ' ' VAL . 35.4 pt -52.63 -43.28 43.2 Favored 'Isoleucine or valine' 0 C--O 1.24 0.604 0 N-CA-C 112.664 0.616 . . . . 0.0 112.664 -172.162 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 88.8 mtt180 -65.1 -40.48 94.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.124 0.488 . . . . 0.0 110.729 178.749 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . 0.622 ' O ' HG13 ' A' ' 50' ' ' ILE . 1.8 mpt? -69.47 -25.88 64.3 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.855 176.399 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.507 ' HB ' ' O ' ' A' ' 44' ' ' ILE . 74.9 t -56.73 -48.73 80.45 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.152 0 N-CA-C 109.541 -0.54 . . . . 0.0 109.541 174.009 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -62.19 -38.0 87.43 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.969 -0.56 . . . . 0.0 111.086 176.005 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -63.11 -50.99 68.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.465 178.471 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.622 HG13 ' O ' ' A' ' 46' ' ' MET . 44.9 mt -65.75 -32.84 59.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.063 179.866 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 12.8 tp -60.05 -53.93 52.02 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.119 176.111 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.66 -38.96 82.88 Favored 'General case' 0 CA--C 1.518 -0.26 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.847 179.83 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 82.5 t80 -53.18 -64.2 0.9 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.17 175.263 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.542 HD13 ' HA ' ' A' ' 61' ' ' PRO . 74.6 mt -58.03 -40.21 80.32 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.944 -178.195 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 21.5 mmm180 -64.11 -53.61 46.94 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 112.357 0.502 . . . . 0.0 112.357 -178.811 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . 0.524 ' CZ ' HG23 ' B' ' 80' ' ' ILE . 5.6 t80 -79.17 -8.11 58.74 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 120.862 0.363 . . . . 0.0 110.892 -173.897 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . 0.478 ' HA ' ' HG3' ' B' ' 46' ' ' MET . 49.4 p -97.9 -1.86 42.0 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.141 0.496 . . . . 0.0 110.144 173.378 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . 64.91 33.97 9.5 Favored 'General case' 0 N--CA 1.465 0.275 0 CA-C-N 114.906 -1.043 . . . . 0.0 111.896 179.29 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 65.7 mt -101.57 145.3 11.81 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.684 0 N-CA-C 108.758 -0.83 . . . . 0.0 108.758 174.414 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 60.5 tttp -63.99 119.83 58.62 Favored Pre-proline 0 C--N 1.328 -0.33 0 N-CA-C 110.447 -0.205 . . . . 0.0 110.447 178.153 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . 0.542 ' HA ' HD13 ' A' ' 54' ' ' LEU . 31.7 Cg_exo -59.23 115.21 2.41 Favored 'Trans proline' 0 N--CA 1.46 -0.497 0 C-N-CA 122.463 2.109 . . . . 0.0 111.265 175.748 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.413 ' HB2' HD23 ' A' ' 65' ' ' LEU . 8.6 m -57.03 147.61 23.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.853 -179.376 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 98.3 mt -61.89 -23.45 66.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.269 -0.878 . . . . 0.0 112.081 -173.743 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -62.5 -43.85 98.43 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.5 -0.857 . . . . 0.0 111.538 174.503 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.537 ' O ' ' HB2' ' A' ' 69' ' ' TRP . 3.5 mm? -66.71 -43.88 83.13 Favored 'General case' 0 C--O 1.221 -0.406 0 N-CA-C 109.94 -0.393 . . . . 0.0 109.94 177.775 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.463 HD11 ' HB2' ' A' ' 61' ' ' PRO . 40.9 mm -66.48 -34.8 72.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.399 -177.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 65.4 t30 -70.5 -42.87 70.76 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.785 -179.158 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 67.7 ttt180 -86.74 -12.88 46.91 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.217 0.532 . . . . 0.0 110.171 -177.473 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' TRP . . . . . 0.537 ' HB2' ' O ' ' A' ' 65' ' ' LEU . 16.0 t90 -51.31 -53.26 37.62 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.005 -0.998 . . . . 0.0 110.897 178.526 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -86.75 20.57 23.28 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.547 -0.835 . . . . 0.0 112.17 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 23.1 t -123.34 10.06 9.2 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.365 0.602 . . . . 0.0 109.718 178.547 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.604 HG13 ' HB ' ' A' ' 44' ' ' ILE . 78.8 t -81.31 -16.84 12.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-O 122.502 1.144 . . . . 0.0 110.635 179.525 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 80.79 119.82 0.43 Allowed Glycine 0 C--N 1.304 -1.211 0 CA-C-N 113.628 -1.623 . . . . 0.0 110.114 -169.647 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.505 ' O ' ' HG3' ' A' ' 78' ' ' MET . 9.6 ptpp? -63.98 -22.14 66.8 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 117.356 0.578 . . . . 0.0 109.915 -176.782 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 52.8 tptt -63.96 -54.28 36.99 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.432 -0.804 . . . . 0.0 110.174 173.802 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 20.2 tp10 -67.21 -35.99 80.77 Favored 'General case' 0 N--CA 1.451 -0.383 0 CA-C-N 115.565 -0.743 . . . . 0.0 109.954 179.296 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.611 ' O ' HG12 ' A' ' 81' ' ' ILE . . . -57.32 -43.53 83.38 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.585 -0.28 . . . . 0.0 110.706 177.724 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . 0.622 ' O ' ' HG2' ' A' ' 82' ' ' LYS . 68.6 mtt -59.52 -48.69 80.66 Favored 'General case' 0 CA--C 1.52 -0.191 0 N-CA-C 109.885 -0.413 . . . . 0.0 109.885 176.115 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 51.4 mm-40 -57.87 -42.12 83.89 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.579 -0.737 . . . . 0.0 111.144 178.678 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.537 HG23 ' CZ ' ' B' ' 56' ' ' PHE . 93.0 mt -60.57 -56.04 20.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-N 115.555 -0.748 . . . . 0.0 110.958 176.758 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.611 HG12 ' O ' ' A' ' 77' ' ' ALA . 48.4 mm -56.4 -41.83 72.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.205 -176.583 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . 0.622 ' HG2' ' O ' ' A' ' 78' ' ' MET . 34.3 mmtp -60.0 -54.03 50.8 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.481 -0.327 . . . . 0.0 110.995 179.367 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 57.9 mttp -71.69 -24.98 61.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.896 -176.628 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . 0.427 ' O ' ' HG ' ' A' ' 88' ' ' LEU . 1.7 t80 -64.91 -48.7 73.2 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 109.04 -0.726 . . . . 0.0 109.04 175.349 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . 0.466 ' HG3' ' O ' ' A' ' 81' ' ' ILE . 97.9 mttt -61.72 -34.94 76.68 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.473 -0.785 . . . . 0.0 111.035 178.676 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . 0.598 ' HG2' ' O ' ' A' ' 82' ' ' LYS . 32.0 mmmt -64.87 -43.52 92.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.295 -0.412 . . . . 0.0 111.046 -179.762 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -70.12 -36.11 74.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.297 -0.41 . . . . 0.0 109.962 -179.305 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.434 ' HB3' HD12 ' B' ' 81' ' ' ILE . 90.2 mt -61.95 -47.96 82.53 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.517 177.005 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -63.22 -36.21 82.9 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.78 -0.645 . . . . 0.0 110.957 -179.871 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . 0.558 ' O ' HG13 ' A' ' 94' ' ' ILE . . . -64.29 -49.66 70.94 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.527 177.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' MET . . . . . 0.582 ' O ' HG12 ' A' ' 95' ' ' ILE . 23.3 mmt -61.55 -36.91 81.95 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.926 -179.933 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.432 ' HB2' HG13 ' B' ' 81' ' ' ILE . 68.5 tp -56.19 -49.57 73.68 Favored 'General case' 0 C--O 1.239 0.539 0 CA-C-O 121.33 0.586 . . . . 0.0 110.854 176.389 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 72.7 ttt180 -61.6 -34.61 75.93 Favored 'General case' 0 N--CA 1.442 -0.86 0 CA-C-N 115.561 -0.745 . . . . 0.0 110.549 -179.762 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 0.558 HG13 ' O ' ' A' ' 90' ' ' ALA . 36.9 mt -72.32 -31.32 38.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.451 -0.34 . . . . 0.0 110.709 179.057 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.582 HG12 ' O ' ' A' ' 91' ' ' MET . 23.1 mm -55.13 -47.85 76.83 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.227 0 N-CA-C 109.37 -0.604 . . . . 0.0 109.37 173.736 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 41.3 t30 -69.08 -41.25 77.79 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.474 -0.784 . . . . 0.0 110.566 176.818 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . 0.448 ' HB3' ' HA ' ' A' ' 94' ' ' ILE . . . -62.75 -17.5 61.03 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 112.548 0.573 . . . . 0.0 112.548 -174.3 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . 0.546 ' HG3' ' O ' ' A' ' 94' ' ' ILE . 19.6 mtp180 -67.43 -16.54 64.29 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.967 0.413 . . . . 0.0 110.797 177.27 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 2.0 ptpp? -138.14 -62.87 0.57 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.968 177.824 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 56.34 43.17 26.74 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-O 120.993 0.425 . . . . 0.0 111.328 179.181 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 29.4 mtpp 56.68 38.35 29.48 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.355 -0.839 . . . . 0.0 111.864 177.464 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 18.7 ptpt -75.21 128.84 36.37 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.887 0.375 . . . . 0.0 110.331 177.342 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 32.5 ptt180 -155.03 113.74 3.56 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 121.2 0.524 . . . . 0.0 110.316 178.099 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 82.2 mtp180 . . . . . 0 C--O 1.247 0.934 0 CA-C-O 118.421 -0.8 . . . . 0.0 110.046 -179.635 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.015 0 CA-C-O 120.855 0.36 . . . . 0.0 110.618 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 36' ' ' GLY . . . . . . . . . . . . . . . -60.38 -28.26 66.92 Favored Glycine 0 N--CA 1.45 -0.369 0 CA-C-N 115.986 -0.552 . . . . 0.0 112.565 -179.195 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 92.6 mt -64.79 -22.38 66.97 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 120.851 0.357 . . . . 0.0 111.054 178.541 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 86.6 mt -94.96 -33.01 12.92 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.462 -0.335 . . . . 0.0 110.646 179.802 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -83.72 -11.42 57.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.551 -179.007 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . 88.11 30.65 16.48 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.699 -0.762 . . . . 0.0 111.928 179.576 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 41' ' ' HIS . . . . . . . . . . . . . 55.5 t-80 -132.95 70.78 1.47 Allowed 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 109.596 -0.52 . . . . 0.0 109.596 -179.489 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 42' ' ' GLY . . . . . . . . . . . . . . . -98.48 175.15 28.99 Favored Glycine 0 N--CA 1.448 -0.528 0 C-N-CA 120.63 -0.795 . . . . 0.0 111.712 179.156 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 43' ' ' PRO . . . . . 0.455 ' O ' HG23 ' B' ' 47' ' ' VAL . 33.2 Cg_exo -59.15 170.62 2.8 Favored 'Trans proline' 0 C--N 1.343 0.259 0 C-N-CA 123.056 2.504 . . . . 0.0 112.331 177.597 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . 0.59 ' HB ' HG13 ' B' ' 72' ' ' VAL . 35.6 pt -52.74 -43.19 44.12 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.598 0 N-CA-C 112.54 0.57 . . . . 0.0 112.54 -171.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 89.1 mtt180 -65.28 -40.27 93.65 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.107 0.48 . . . . 0.0 110.721 178.902 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 46' ' ' MET . . . . . 0.607 ' O ' HG13 ' B' ' 50' ' ' ILE . 1.8 mpt? -69.77 -25.76 63.96 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.731 176.358 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 47' ' ' VAL . . . . . 0.508 ' HB ' ' O ' ' B' ' 44' ' ' ILE . 74.5 t -56.74 -48.69 80.51 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.178 0 N-CA-C 109.59 -0.522 . . . . 0.0 109.59 173.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -62.15 -38.02 87.43 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.091 175.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -63.1 -51.01 68.26 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.884 0.373 . . . . 0.0 111.437 178.53 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 50' ' ' ILE . . . . . 0.607 HG13 ' O ' ' B' ' 46' ' ' MET . 45.3 mt -65.75 -32.76 59.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.021 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 12.8 tp -60.19 -53.86 52.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.747 -0.66 . . . . 0.0 110.061 176.199 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.62 -38.95 82.71 Favored 'General case' 0 CA--C 1.517 -0.294 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.846 179.809 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 53' ' ' PHE . . . . . . . . . . . . . 82.6 t80 -53.28 -64.28 0.87 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.161 175.326 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 54' ' ' LEU . . . . . 0.549 HD13 ' HA ' ' B' ' 61' ' ' PRO . 74.9 mt -57.82 -40.35 79.8 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.888 -178.262 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 55' ' ' ARG . . . . . . . . . . . . . 21.5 mmm180 -64.21 -52.91 56.53 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 112.496 0.554 . . . . 0.0 112.496 -178.648 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 56' ' ' PHE . . . . . 0.537 ' CZ ' HG23 ' A' ' 80' ' ' ILE . 5.6 t80 -80.03 -7.54 58.89 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 120.913 0.387 . . . . 0.0 110.854 -174.074 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 57' ' ' THR . . . . . 0.487 ' HA ' ' HG3' ' A' ' 46' ' ' MET . 49.9 p -98.43 -1.2 41.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.056 0.455 . . . . 0.0 110.112 173.14 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . 64.1 34.33 11.25 Favored 'General case' 0 C--O 1.233 0.189 0 CA-C-N 115.019 -0.991 . . . . 0.0 111.942 179.337 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 59' ' ' ILE . . . . . . . . . . . . . 66.1 mt -102.08 144.79 12.86 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.674 0 N-CA-C 108.877 -0.786 . . . . 0.0 108.877 174.396 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 60.9 tttp -63.45 119.79 56.59 Favored Pre-proline 0 C--N 1.329 -0.313 0 N-CA-C 110.423 -0.214 . . . . 0.0 110.423 178.457 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 61' ' ' PRO . . . . . 0.549 ' HA ' HD13 ' B' ' 54' ' ' LEU . 32.2 Cg_exo -59.27 115.4 2.55 Favored 'Trans proline' 0 N--CA 1.46 -0.457 0 C-N-CA 122.366 2.044 . . . . 0.0 111.331 175.853 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 62' ' ' SER . . . . . 0.414 ' HB2' HD23 ' B' ' 65' ' ' LEU . 9.7 m -57.22 147.45 25.17 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.321 0.581 . . . . 0.0 110.886 -179.275 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 97.5 mt -61.82 -23.45 66.25 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.179 -0.919 . . . . 0.0 112.039 -173.625 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -62.77 -43.66 98.61 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.55 -0.834 . . . . 0.0 111.519 174.487 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 65' ' ' LEU . . . . . 0.523 ' O ' ' HB2' ' B' ' 69' ' ' TRP . 3.5 mm? -66.59 -44.14 82.99 Favored 'General case' 0 C--O 1.22 -0.47 0 N-CA-C 109.932 -0.395 . . . . 0.0 109.932 177.457 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 66' ' ' ILE . . . . . 0.479 HD11 ' HB2' ' B' ' 61' ' ' PRO . 41.3 mm -66.2 -34.75 72.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.393 -177.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 67' ' ' ASN . . . . . . . . . . . . . 65.4 t30 -70.58 -42.94 70.4 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.685 -178.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 68' ' ' ARG . . . . . . . . . . . . . 67.9 ttt180 -86.81 -12.73 47.14 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.248 0.547 . . . . 0.0 110.138 -177.399 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 69' ' ' TRP . . . . . 0.523 ' HB2' ' O ' ' B' ' 65' ' ' LEU . 15.9 t90 -51.41 -53.1 40.12 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.009 -0.996 . . . . 0.0 110.955 178.499 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . -86.59 20.19 24.58 Favored Glycine 0 N--CA 1.45 -0.432 0 C-N-CA 120.529 -0.843 . . . . 0.0 112.187 -179.877 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 71' ' ' SER . . . . . . . . . . . . . 18.1 t -123.1 9.72 9.32 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.349 0.595 . . . . 0.0 109.642 178.683 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 72' ' ' VAL . . . . . 0.59 HG13 ' HB ' ' B' ' 44' ' ' ILE . 79.3 t -80.51 -17.23 12.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 122.348 1.071 . . . . 0.0 110.592 179.552 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 73' ' ' GLY . . . . . . . . . . . . . . . 81.23 120.05 0.48 Allowed Glycine 0 C--N 1.304 -1.217 0 CA-C-N 113.648 -1.614 . . . . 0.0 110.091 -169.575 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 74' ' ' LYS . . . . . 0.504 ' O ' ' HG3' ' B' ' 78' ' ' MET . 9.6 ptpp? -64.4 -21.79 66.75 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 117.427 0.614 . . . . 0.0 109.946 -176.631 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 75' ' ' LYS . . . . . . . . . . . . . 52.7 tptt -64.36 -54.44 32.96 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.423 -0.808 . . . . 0.0 110.031 173.724 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 20.8 tp10 -66.85 -35.94 81.19 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.083 179.271 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 77' ' ' ALA . . . . . 0.621 ' O ' HG12 ' B' ' 81' ' ' ILE . . . -57.45 -43.68 84.16 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.674 177.818 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 78' ' ' MET . . . . . 0.609 ' O ' ' HG2' ' B' ' 82' ' ' LYS . 68.5 mtt -59.15 -49.1 79.14 Favored 'General case' 0 CA--C 1.52 -0.199 0 N-CA-C 109.782 -0.451 . . . . 0.0 109.782 176.137 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 79' ' ' GLU . . . . . . . . . . . . . 45.8 mm-40 -57.71 -42.04 82.96 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.514 -0.767 . . . . 0.0 111.255 178.737 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 80' ' ' ILE . . . . . 0.524 HG23 ' CZ ' ' A' ' 56' ' ' PHE . 93.2 mt -60.5 -56.23 19.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-N 115.582 -0.735 . . . . 0.0 110.935 176.613 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 81' ' ' ILE . . . . . 0.621 HG12 ' O ' ' B' ' 77' ' ' ALA . 48.4 mm -56.17 -41.95 71.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.172 -176.625 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 82' ' ' LYS . . . . . 0.609 ' HG2' ' O ' ' B' ' 78' ' ' MET . 34.3 mmtp -59.96 -53.9 52.37 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.112 179.427 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 83' ' ' LYS . . . . . . . . . . . . . 57.9 mttp -71.79 -24.95 61.83 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.915 -176.891 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 84' ' ' PHE . . . . . 0.429 ' O ' ' HG ' ' B' ' 88' ' ' LEU . 1.7 t80 -64.9 -48.64 73.47 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 109.093 -0.706 . . . . 0.0 109.093 175.413 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 85' ' ' LYS . . . . . 0.457 ' HG3' ' O ' ' B' ' 81' ' ' ILE . 97.7 mttt -61.81 -35.07 77.14 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.372 -0.831 . . . . 0.0 111.108 178.722 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 86' ' ' LYS . . . . . 0.602 ' HG2' ' O ' ' B' ' 82' ' ' LYS . 32.0 mmmt -64.36 -44.19 92.17 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.917 179.915 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 87' ' ' ASP . . . . . 0.4 ' O ' ' HG2' ' B' ' 91' ' ' MET . 14.3 t70 -69.82 -36.03 75.28 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.035 0.445 . . . . 0.0 110.001 -178.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 88' ' ' LEU . . . . . 0.445 ' HB3' HD12 ' A' ' 81' ' ' ILE . 89.9 mt -61.86 -47.92 82.85 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.563 176.892 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -63.55 -35.9 82.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.897 -179.816 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 90' ' ' ALA . . . . . 0.537 ' O ' HG13 ' B' ' 94' ' ' ILE . . . -64.31 -49.73 70.6 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.396 177.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 91' ' ' MET . . . . . 0.579 ' O ' HG12 ' B' ' 95' ' ' ILE . 23.3 mmt -61.56 -36.73 81.45 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.03 -179.894 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 92' ' ' LEU . . . . . 0.439 ' HB2' HG13 ' A' ' 81' ' ' ILE . 68.6 tp -56.4 -49.52 74.27 Favored 'General case' 0 C--O 1.24 0.56 0 CA-C-O 121.348 0.594 . . . . 0.0 110.833 176.379 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 93' ' ' ARG . . . . . . . . . . . . . 72.8 ttt180 -61.48 -34.8 76.08 Favored 'General case' 0 N--CA 1.442 -0.848 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.484 -179.88 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 94' ' ' ILE . . . . . 0.548 ' O ' ' HG3' ' B' ' 98' ' ' ARG . 36.3 mt -72.17 -31.37 39.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.46 -0.336 . . . . 0.0 110.714 179.111 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 95' ' ' ILE . . . . . 0.579 HG12 ' O ' ' B' ' 91' ' ' MET . 23.2 mm -55.15 -47.75 77.0 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.282 0 N-CA-C 109.401 -0.592 . . . . 0.0 109.401 173.73 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 96' ' ' ASN . . . . . . . . . . . . . 41.5 t30 -69.22 -41.2 77.34 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.544 -0.753 . . . . 0.0 110.567 176.882 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 97' ' ' ALA . . . . . 0.44 ' HB3' ' HA ' ' B' ' 94' ' ' ILE . . . -62.56 -17.99 61.13 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 112.604 0.594 . . . . 0.0 112.604 -174.405 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 98' ' ' ARG . . . . . 0.548 ' HG3' ' O ' ' B' ' 94' ' ' ILE . 19.7 mtp180 -67.14 -16.27 64.22 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.906 0.384 . . . . 0.0 110.834 177.313 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 99' ' ' LYS . . . . . . . . . . . . . 2.0 ptpp? -138.53 -62.37 0.57 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.077 177.856 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 100' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER 55.85 43.37 27.69 Favored 'General case' 0 C--O 1.237 0.415 0 CA-C-O 120.927 0.394 . . . . 0.0 111.296 178.921 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 101' ' ' LYS . . . . . . . . . . . . . 29.4 mtpp 56.55 38.36 29.55 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-N 115.325 -0.852 . . . . 0.0 111.801 177.381 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 102' ' ' LYS . . . . . . . . . . . . . 18.7 ptpt -75.08 128.38 35.4 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.887 0.375 . . . . 0.0 110.335 177.515 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 103' ' ' ARG . . . . . . . . . . . . . 32.7 ptt180 -154.67 113.97 3.7 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.395 0.617 . . . . 0.0 110.531 177.788 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 104' ' ' ARG . . . . . . . . . . . . . 82.1 mtp180 . . . . . 0 C--O 1.248 0.982 0 CA-C-O 118.43 -0.795 . . . . 0.0 109.597 -179.948 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.071 0 CA-C-O 120.936 0.398 . . . . 0.0 110.399 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -63.91 -22.92 67.05 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 121.112 -0.565 . . . . 0.0 113.257 -175.2 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.428 HD23 ' O ' ' A' ' 37' ' ' LEU . 5.2 tt -69.55 -36.26 76.17 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 120.968 0.413 . . . . 0.0 110.061 -179.284 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -92.05 -32.45 15.18 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.458 -175.909 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -93.8 -9.92 35.87 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.536 -0.302 . . . . 0.0 111.572 -176.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 84.99 -3.32 87.43 Favored Glycine 0 N--CA 1.453 -0.215 0 C-N-CA 120.622 -0.799 . . . . 0.0 112.068 -179.385 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 29.8 t60 -81.94 61.42 5.24 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.438 0.637 . . . . 0.0 109.829 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.439 ' HA2' ' HD3' ' A' ' 43' ' ' PRO . . . -93.33 135.15 12.47 Favored Glycine 0 N--CA 1.442 -0.908 0 CA-C-N 115.547 -0.751 . . . . 0.0 111.85 178.722 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.51 ' O ' HG23 ' A' ' 47' ' ' VAL . 23.5 Cg_exo -64.65 176.59 2.75 Favored 'Trans proline' 0 C--N 1.343 0.254 0 C-N-CA 122.811 2.341 . . . . 0.0 112.112 176.28 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 22.0 pt -51.14 -39.26 19.99 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.395 0 N-CA-C 112.627 0.603 . . . . 0.0 112.627 -173.823 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 97.7 mtt180 -61.54 -45.58 93.56 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.284 0.564 . . . . 0.0 110.634 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . 0.587 ' HG2' ' HA ' ' B' ' 57' ' ' THR . 72.5 mtp -70.48 -28.04 64.68 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.63 -0.714 . . . . 0.0 111.154 -179.631 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.51 HG23 ' O ' ' A' ' 43' ' ' PRO . 83.3 t -61.86 -48.18 89.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 120.777 0.323 . . . . 0.0 110.419 177.251 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 87.4 mt -64.52 -37.9 89.14 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.622 178.338 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -66.15 -48.99 68.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.563 179.16 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.404 ' O ' ' HB3' ' A' ' 53' ' ' PHE . 15.9 tt -71.36 -26.83 27.37 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-O 120.733 0.301 . . . . 0.0 110.667 -177.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.661 ' O ' ' HG2' ' A' ' 55' ' ' ARG . 11.7 tp -65.33 -54.3 30.94 Favored 'General case' 0 N--CA 1.451 -0.415 0 N-CA-C 109.7 -0.481 . . . . 0.0 109.7 177.097 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -56.93 -40.12 75.76 Favored 'General case' 0 CA--C 1.516 -0.33 0 O-C-N 123.35 0.407 . . . . 0.0 110.303 178.345 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.434 ' CE1' HG21 ' A' ' 57' ' ' THR . 71.1 t80 -51.13 -60.82 2.69 Favored 'General case' 0 N--CA 1.451 -0.399 0 CA-C-N 115.406 -0.815 . . . . 0.0 109.871 173.136 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 96.1 mt -63.08 -23.32 67.39 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.304 -0.407 . . . . 0.0 112.087 -178.466 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.661 ' HG2' ' O ' ' A' ' 51' ' ' LEU . 15.9 mmm180 -72.22 -43.78 63.92 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-O 120.773 0.321 . . . . 0.0 111.073 178.58 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . 0.517 ' CZ ' ' HA ' ' B' ' 84' ' ' PHE . 57.9 m-85 -96.56 -14.99 21.85 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 112.172 0.434 . . . . 0.0 112.172 -175.213 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . 0.57 ' HA ' ' HG2' ' B' ' 46' ' ' MET . 73.2 p -100.8 -23.96 14.49 Favored 'General case' 0 C--N 1.325 -0.488 0 C-N-CA 120.284 -0.566 . . . . 0.0 111.602 178.753 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -131.5 -164.7 1.48 Allowed 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.691 -175.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 50.0 mm -93.38 -67.64 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-O 121.589 0.709 . . . . 0.0 110.701 179.568 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.422 ' HA ' ' HD3' ' A' ' 61' ' ' PRO . 88.6 tttt -131.33 127.01 21.61 Favored Pre-proline 0 C--N 1.301 -1.541 0 CA-C-N 114.523 -1.217 . . . . 0.0 110.936 -178.438 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . 0.422 ' HD3' ' HA ' ' A' ' 60' ' ' LYS . 28.6 Cg_exo -63.32 151.36 85.25 Favored 'Trans proline' 0 C--N 1.344 0.304 0 C-N-CA 123.093 2.528 . . . . 0.0 112.324 176.113 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 14.7 m -65.79 147.56 53.18 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.663 -0.699 . . . . 0.0 111.123 179.909 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 88.8 mt -63.53 -19.96 65.22 Favored 'General case' 0 C--N 1.334 -0.105 0 CA-C-N 115.268 -0.878 . . . . 0.0 112.066 -173.851 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -62.96 -46.18 94.1 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.895 -0.669 . . . . 0.0 111.503 174.808 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -67.62 -38.49 83.99 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 109.636 -0.505 . . . . 0.0 109.636 177.206 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 47.2 mm -61.91 -35.15 66.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.89 178.191 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 27.5 t-20 -69.42 -41.44 76.34 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.901 179.028 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 27.9 ttm180 -79.56 -18.53 51.54 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.349 0.595 . . . . 0.0 110.084 -178.776 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' TRP . . . . . 0.572 ' NE1' HD11 ' B' ' 95' ' ' ILE . 16.9 t90 -58.61 -47.73 83.37 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 114.918 -1.037 . . . . 0.0 110.997 179.328 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -78.21 0.49 73.86 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.814 -0.708 . . . . 0.0 112.681 -179.807 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 19.4 m -92.02 -3.98 55.1 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.09 0.471 . . . . 0.0 110.512 179.701 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 45.6 t -77.64 140.58 16.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-N 115.89 -0.595 . . . . 0.0 109.996 178.004 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -64.71 135.8 38.46 Favored Glycine 0 N--CA 1.439 -1.106 0 N-CA-C 110.512 -1.035 . . . . 0.0 110.512 174.467 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.465 ' O ' ' HG3' ' A' ' 78' ' ' MET . 30.5 mmtm -68.04 -33.36 74.43 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-O 121.162 0.506 . . . . 0.0 109.721 -173.032 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 20.7 tptm -69.21 -47.43 64.83 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.363 -0.835 . . . . 0.0 110.023 174.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.43 ' O ' HG13 ' A' ' 80' ' ' ILE . 5.1 tp10 -59.72 -43.83 93.98 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.358 -0.837 . . . . 0.0 109.936 -179.471 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.401 ' O ' HG12 ' A' ' 81' ' ' ILE . . . -58.36 -42.53 87.12 Favored 'General case' 0 N--CA 1.453 -0.292 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.908 179.038 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . 0.465 ' HG3' ' O ' ' A' ' 74' ' ' LYS . 61.1 mtt -58.16 -43.96 87.7 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-O 120.932 0.396 . . . . 0.0 110.646 179.43 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.448 ' O ' ' HG3' ' A' ' 83' ' ' LYS . 36.5 mt-10 -72.39 -40.42 67.24 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.773 -0.649 . . . . 0.0 111.209 -178.788 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.43 HG13 ' O ' ' A' ' 76' ' ' GLU . 96.4 mt -62.04 -47.98 90.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.683 0.278 . . . . 0.0 110.598 178.39 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.401 HG12 ' O ' ' A' ' 77' ' ' ALA . 39.1 mm -61.02 -37.05 76.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.716 178.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . 0.407 ' NZ ' ' HB2' ' A' ' 82' ' ' LYS . 0.0 OUTLIER -62.08 -46.97 86.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.337 176.766 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.448 ' HG3' ' O ' ' A' ' 79' ' ' GLU . 90.9 mttt -67.2 -35.95 80.7 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.538 179.54 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . 0.529 ' HA ' ' CZ ' ' B' ' 56' ' ' PHE . 2.2 t80 -62.41 -49.72 74.37 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.066 179.629 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -63.14 -31.59 72.77 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.735 178.489 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 16.8 tppt? -65.21 -47.3 77.35 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.409 179.147 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -68.4 -32.26 72.2 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.771 -179.605 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.462 ' HG ' ' O ' ' A' ' 84' ' ' PHE . 91.8 mt -66.03 -38.66 88.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.476 175.6 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.447 ' O ' ' HG3' ' A' ' 93' ' ' ARG . . . -62.18 -47.97 82.13 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.321 177.783 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . 0.613 ' O ' HG13 ' A' ' 94' ' ' ILE . . . -60.45 -48.35 82.15 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.159 176.656 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' MET . . . . . 0.449 ' O ' HG12 ' A' ' 95' ' ' ILE . 39.4 ttm -51.9 -49.23 63.44 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.414 -0.812 . . . . 0.0 111.013 178.613 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 48.8 tp -56.74 -46.17 81.53 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.546 -0.752 . . . . 0.0 111.545 -179.236 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . 0.447 ' HG3' ' O ' ' A' ' 89' ' ' ALA . 27.0 mtm180 -64.95 -33.9 77.14 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.328 -0.397 . . . . 0.0 110.788 -177.829 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 0.613 HG13 ' O ' ' A' ' 90' ' ' ALA . 25.9 mt -73.05 -31.2 34.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.599 -0.273 . . . . 0.0 110.556 179.462 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.57 HD11 ' NE1' ' B' ' 69' ' ' TRP . 24.4 mm -55.99 -50.14 71.24 Favored 'Isoleucine or valine' 0 C--O 1.232 0.151 0 CA-C-O 121.6 0.714 . . . . 0.0 109.164 171.821 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' ASN . . . . . 0.581 ' O ' ' HG2' ' A' ' 99' ' ' LYS . 43.4 m-80 -67.46 -21.6 65.53 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.026 -0.988 . . . . 0.0 110.741 178.722 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -82.58 10.79 6.67 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 120.913 0.387 . . . . 0.0 110.662 178.036 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . 0.483 ' NE ' ' HA ' ' A' ' 98' ' ' ARG . 4.0 mmp_? -125.45 29.61 5.98 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.685 178.164 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . 0.581 ' HG2' ' O ' ' A' ' 96' ' ' ASN . 22.0 pttp -102.37 -34.48 9.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.458 -0.337 . . . . 0.0 111.31 -179.513 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . 0.414 ' HB2' ' O ' ' A' ' 99' ' ' LYS . 2.3 mp0 70.15 -48.8 0.64 Allowed 'General case' 0 N--CA 1.469 0.494 0 C-N-CA 123.465 0.706 . . . . 0.0 112.021 -177.14 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 59.0 pttt -118.37 155.55 30.5 Favored 'General case' 0 N--CA 1.447 -0.597 0 CA-C-O 120.957 0.408 . . . . 0.0 111.238 -178.313 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . 0.441 ' HG3' ' H ' ' A' ' 103' ' ' ARG . 50.7 tptt -165.61 174.71 9.57 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 108.137 -1.06 . . . . 0.0 108.137 179.651 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . 0.441 ' H ' ' HG3' ' A' ' 102' ' ' LYS . 80.5 mtp180 -60.51 -48.99 79.32 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 109.42 -0.585 . . . . 0.0 109.42 174.096 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 2.9 tmt_? . . . . . 0 C--O 1.245 0.819 0 N-CA-C 108.771 -0.825 . . . . 0.0 108.771 175.469 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 35' ' ' ALA . . . . . 0.403 ' HB1' HD23 ' B' ' 38' ' ' LEU . . . . . . . . 0 N--CA 1.479 0.996 0 CA-C-O 121.067 0.461 . . . . 0.0 110.496 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 36' ' ' GLY . . . . . . . . . . . . . . . -63.63 -23.03 66.64 Favored Glycine 0 N--CA 1.451 -0.36 0 CA-C-N 115.892 -0.594 . . . . 0.0 113.175 -175.3 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . 0.446 HD23 ' O ' ' B' ' 37' ' ' LEU . 5.2 tt -69.55 -36.21 76.13 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 120.998 0.427 . . . . 0.0 110.072 -179.211 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 38' ' ' LEU . . . . . 0.403 HD23 ' HB1' ' B' ' 35' ' ' ALA . 3.1 mm? -91.86 -33.07 15.08 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.35 -0.387 . . . . 0.0 111.383 -176.08 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -93.39 -9.48 38.53 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.657 -176.675 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . 84.92 -3.67 86.68 Favored Glycine 0 N--CA 1.453 -0.222 0 C-N-CA 120.651 -0.785 . . . . 0.0 112.054 -179.653 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 41' ' ' HIS . . . . . . . . . . . . . 30.1 t60 -81.84 61.34 5.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.502 0.668 . . . . 0.0 109.88 -179.837 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 42' ' ' GLY . . . . . 0.4 ' HA2' ' HD3' ' B' ' 43' ' ' PRO . . . -93.06 135.47 12.66 Favored Glycine 0 N--CA 1.44 -1.036 0 CA-C-N 115.474 -0.785 . . . . 0.0 111.844 178.477 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 43' ' ' PRO . . . . . 0.495 ' O ' HG23 ' B' ' 47' ' ' VAL . 23.5 Cg_exo -64.94 176.68 2.85 Favored 'Trans proline' 0 C--N 1.342 0.235 0 C-N-CA 122.759 2.306 . . . . 0.0 112.072 176.036 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 21.9 pt -51.05 -39.28 19.46 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.382 0 N-CA-C 112.695 0.628 . . . . 0.0 112.695 -173.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 97.7 mtt180 -61.73 -45.61 93.22 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.189 0.519 . . . . 0.0 110.566 -179.892 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 46' ' ' MET . . . . . 0.57 ' HG2' ' HA ' ' A' ' 57' ' ' THR . 72.5 mtp -70.33 -28.0 64.81 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.626 -0.716 . . . . 0.0 111.225 -179.773 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 47' ' ' VAL . . . . . 0.495 HG23 ' O ' ' B' ' 43' ' ' PRO . 83.4 t -61.84 -48.19 89.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 120.852 0.358 . . . . 0.0 110.466 177.221 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 86.5 mt -64.54 -37.8 88.8 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.586 178.378 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -66.24 -48.93 68.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.544 179.178 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 50' ' ' ILE . . . . . 0.403 ' O ' ' HB3' ' B' ' 53' ' ' PHE . 15.8 tt -71.43 -26.82 27.19 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 CA-C-O 120.704 0.287 . . . . 0.0 110.668 -178.003 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 51' ' ' LEU . . . . . 0.669 ' O ' ' HG2' ' B' ' 55' ' ' ARG . 11.6 tp -65.39 -54.2 32.15 Favored 'General case' 0 N--CA 1.45 -0.454 0 N-CA-C 109.744 -0.465 . . . . 0.0 109.744 177.077 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -56.96 -40.1 75.82 Favored 'General case' 0 CA--C 1.517 -0.307 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.327 178.384 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 53' ' ' PHE . . . . . 0.437 ' CE1' HG21 ' B' ' 57' ' ' THR . 71.1 t80 -51.19 -60.79 2.73 Favored 'General case' 0 N--CA 1.451 -0.397 0 CA-C-N 115.318 -0.856 . . . . 0.0 109.889 173.161 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 54' ' ' LEU . . . . . . . . . . . . . 96.3 mt -63.07 -23.35 67.41 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 112.088 0.403 . . . . 0.0 112.088 -178.505 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 55' ' ' ARG . . . . . 0.669 ' HG2' ' O ' ' B' ' 51' ' ' LEU . 15.8 mmm180 -72.07 -43.99 64.0 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.845 0.355 . . . . 0.0 111.093 178.613 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 56' ' ' PHE . . . . . 0.529 ' CZ ' ' HA ' ' A' ' 84' ' ' PHE . 58.1 m-85 -96.54 -14.81 22.01 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 112.203 0.446 . . . . 0.0 112.203 -175.198 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 57' ' ' THR . . . . . 0.587 ' HA ' ' HG2' ' A' ' 46' ' ' MET . 73.2 p -101.0 -23.65 14.48 Favored 'General case' 0 C--N 1.326 -0.451 0 C-N-CA 120.3 -0.56 . . . . 0.0 111.662 178.6 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -131.69 -164.68 1.48 Allowed 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.729 -176.041 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 59' ' ' ILE . . . . . . . . . . . . . 49.8 mm -93.31 -67.62 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 CA-C-O 121.656 0.741 . . . . 0.0 110.661 179.42 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 60' ' ' LYS . . . . . 0.434 ' HA ' ' HD3' ' B' ' 61' ' ' PRO . 88.5 tttt -131.48 127.18 21.52 Favored Pre-proline 0 C--N 1.3 -1.559 0 CA-C-N 114.54 -1.209 . . . . 0.0 110.999 -178.316 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 61' ' ' PRO . . . . . 0.434 ' HD3' ' HA ' ' B' ' 60' ' ' LYS . 29.3 Cg_exo -63.28 151.36 85.23 Favored 'Trans proline' 0 C--O 1.235 0.359 0 C-N-CA 123.064 2.509 . . . . 0.0 112.394 176.315 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 14.1 m -65.59 147.68 53.01 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.753 -0.658 . . . . 0.0 111.062 179.758 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 89.3 mt -63.91 -19.39 65.06 Favored 'General case' 0 C--N 1.333 -0.118 0 CA-C-N 115.31 -0.859 . . . . 0.0 111.96 -173.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -63.51 -45.8 93.92 Favored Glycine 0 N--CA 1.45 -0.415 0 C-N-CA 120.709 -0.758 . . . . 0.0 111.534 174.739 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -67.69 -38.71 84.06 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 109.611 -0.514 . . . . 0.0 109.611 177.156 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 66' ' ' ILE . . . . . . . . . . . . . 47.2 mm -61.71 -35.29 66.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.882 178.205 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 67' ' ' ASN . . . . . . . . . . . . . 27.4 t-20 -69.11 -42.26 76.32 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.707 179.084 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 68' ' ' ARG . . . . . . . . . . . . . 27.8 ttm180 -79.04 -18.46 53.48 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.387 0.613 . . . . 0.0 110.086 -178.543 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 69' ' ' TRP . . . . . 0.57 ' NE1' HD11 ' A' ' 95' ' ' ILE . 16.9 t90 -58.63 -47.77 83.27 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.001 -1.0 . . . . 0.0 111.019 179.259 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . -77.77 -0.2 73.67 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.695 -179.76 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 71' ' ' SER . . . . . . . . . . . . . 21.0 m -91.53 -4.28 55.6 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.115 0.483 . . . . 0.0 110.622 -179.901 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 72' ' ' VAL . . . . . . . . . . . . . 44.9 t -77.42 140.21 17.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.055 177.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 73' ' ' GLY . . . . . . . . . . . . . . . -64.42 135.9 39.34 Favored Glycine 0 N--CA 1.44 -1.097 0 N-CA-C 110.411 -1.076 . . . . 0.0 110.411 174.563 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 74' ' ' LYS . . . . . 0.475 ' O ' ' HG3' ' B' ' 78' ' ' MET . 30.7 mmtm -68.37 -33.2 73.84 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-O 121.136 0.493 . . . . 0.0 109.712 -172.896 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 75' ' ' LYS . . . . . . . . . . . . . 20.8 tptm -69.17 -47.7 64.24 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.448 -0.796 . . . . 0.0 110.056 174.715 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 76' ' ' GLU . . . . . 0.427 ' O ' HG13 ' B' ' 80' ' ' ILE . 5.2 tp10 -59.43 -43.79 93.02 Favored 'General case' 0 N--CA 1.451 -0.38 0 CA-C-N 115.448 -0.796 . . . . 0.0 109.987 -179.442 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 77' ' ' ALA . . . . . . . . . . . . . . . -58.41 -42.63 87.61 Favored 'General case' 0 N--CA 1.454 -0.269 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.88 179.098 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 78' ' ' MET . . . . . 0.475 ' HG3' ' O ' ' B' ' 74' ' ' LYS . 61.2 mtt -57.96 -43.75 86.64 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.722 179.358 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 79' ' ' GLU . . . . . 0.443 ' O ' ' HG3' ' B' ' 83' ' ' LYS . 37.0 mt-10 -72.86 -40.07 65.98 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.79 -0.641 . . . . 0.0 111.123 -178.637 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 80' ' ' ILE . . . . . 0.427 HG13 ' O ' ' B' ' 76' ' ' GLU . 96.6 mt -62.2 -47.89 90.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.674 0.273 . . . . 0.0 110.62 178.293 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 81' ' ' ILE . . . . . . . . . . . . . 39.1 mm -61.14 -37.11 76.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.735 179.025 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 82' ' ' LYS . . . . . 0.413 ' HB2' ' NZ ' ' B' ' 82' ' ' LYS . 0.0 OUTLIER -62.1 -46.93 86.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.35 176.726 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 83' ' ' LYS . . . . . 0.443 ' HG3' ' O ' ' B' ' 79' ' ' GLU . 90.8 mttt -67.1 -36.09 81.2 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.53 179.427 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 84' ' ' PHE . . . . . 0.517 ' HA ' ' CZ ' ' A' ' 56' ' ' PHE . 2.2 t80 -62.28 -49.83 74.09 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.046 179.725 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 85' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -62.98 -31.44 72.56 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.74 178.479 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 86' ' ' LYS . . . . . . . . . . . . . 16.8 tppt? -65.63 -46.75 78.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.449 179.47 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 87' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -68.73 -32.29 71.96 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.727 -179.678 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 88' ' ' LEU . . . . . 0.459 ' HG ' ' O ' ' B' ' 84' ' ' PHE . 92.0 mt -66.12 -38.68 88.76 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.46 175.677 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 89' ' ' ALA . . . . . 0.455 ' O ' ' HG3' ' B' ' 93' ' ' ARG . . . -62.13 -47.71 83.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.359 177.649 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 90' ' ' ALA . . . . . 0.618 ' O ' HG13 ' B' ' 94' ' ' ILE . . . -60.73 -48.1 83.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.176 176.749 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 91' ' ' MET . . . . . 0.451 ' O ' HG12 ' B' ' 95' ' ' ILE . 40.0 ttm -52.19 -49.22 64.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.404 -0.816 . . . . 0.0 110.891 178.678 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 92' ' ' LEU . . . . . . . . . . . . . 48.9 tp -56.63 -46.31 81.05 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.588 -0.733 . . . . 0.0 111.485 -179.236 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 93' ' ' ARG . . . . . 0.455 ' HG3' ' O ' ' B' ' 89' ' ' ALA . 26.6 mtm180 -64.8 -34.12 77.6 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.83 -177.836 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 94' ' ' ILE . . . . . 0.618 HG13 ' O ' ' B' ' 90' ' ' ALA . 24.5 mt -72.78 -31.38 36.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.662 -0.245 . . . . 0.0 110.544 179.453 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 95' ' ' ILE . . . . . 0.572 HD11 ' NE1' ' A' ' 69' ' ' TRP . 24.4 mm -55.88 -49.88 72.19 Favored 'Isoleucine or valine' 0 C--O 1.232 0.176 0 N-CA-C 109.093 -0.706 . . . . 0.0 109.093 171.805 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 96' ' ' ASN . . . . . 0.584 ' O ' ' HG2' ' B' ' 99' ' ' LYS . 44.4 m-80 -67.69 -21.62 65.32 Favored 'General case' 0 CA--C 1.517 -0.302 0 CA-C-N 115.142 -0.935 . . . . 0.0 110.817 178.785 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 97' ' ' ALA . . . . . . . . . . . . . . . -82.59 10.64 6.98 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 120.892 0.377 . . . . 0.0 110.789 178.143 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 98' ' ' ARG . . . . . 0.489 ' HA ' ' NE ' ' B' ' 98' ' ' ARG . 4.1 mmp_? -125.38 30.03 5.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.6 178.186 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 99' ' ' LYS . . . . . 0.584 ' HG2' ' O ' ' B' ' 96' ' ' ASN . 22.1 pttp -102.65 -34.32 9.11 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.503 -0.317 . . . . 0.0 111.351 -179.453 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 100' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 70.24 -49.05 0.64 Allowed 'General case' 0 N--CA 1.469 0.506 0 C-N-CA 123.75 0.82 . . . . 0.0 111.948 -177.141 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 101' ' ' LYS . . . . . . . . . . . . . 59.2 pttt -118.39 155.28 30.98 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 120.977 0.417 . . . . 0.0 111.134 -178.039 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 102' ' ' LYS . . . . . 0.447 ' HG3' ' H ' ' B' ' 103' ' ' ARG . 50.6 tptt -165.11 174.84 9.93 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 108.218 -1.03 . . . . 0.0 108.218 179.755 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 103' ' ' ARG . . . . . 0.447 ' H ' ' HG3' ' B' ' 102' ' ' LYS . 80.7 mtp180 -60.59 -48.81 80.11 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 109.553 -0.536 . . . . 0.0 109.553 173.88 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 104' ' ' ARG . . . . . . . . . . . . . 2.8 tmt_? . . . . . 0 C--O 1.247 0.952 0 CA-C-O 118.424 -0.798 . . . . 0.0 109.058 175.102 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.113 0 CA-C-O 120.963 0.411 . . . . 0.0 110.325 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -58.9 -41.22 96.1 Favored Glycine 0 CA--C 1.506 -0.492 0 CA-C-N 115.976 -0.556 . . . . 0.0 113.353 -175.431 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 6.5 mp -68.37 -6.63 25.48 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.914 0.357 . . . . 0.0 111.617 -175.899 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 88.5 mt -114.18 -40.56 3.66 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.658 -0.247 . . . . 0.0 111.104 179.341 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -97.96 -54.85 2.96 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.651 0.263 . . . . 0.0 111.617 -177.232 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.69 ' O ' ' HD2' ' A' ' 43' ' ' PRO . . . -73.37 -34.03 58.06 Favored Glycine 0 C--O 1.22 -0.768 0 C-N-CA 120.726 -0.75 . . . . 0.0 111.984 -174.941 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 59.6 t-80 -66.01 87.67 0.1 Allowed 'General case' 0 C--N 1.319 -0.752 0 C-N-CA 123.009 0.524 . . . . 0.0 110.849 177.652 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 166.7 -55.07 0.24 Allowed Glycine 0 CA--C 1.522 0.483 0 C-N-CA 120.373 -0.918 . . . . 0.0 113.824 178.803 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.69 ' HD2' ' O ' ' A' ' 40' ' ' GLY . 71.5 Cg_exo -43.68 157.57 0.13 Allowed 'Trans proline' 0 C--N 1.351 0.707 0 C-N-CA 123.521 2.814 . . . . 0.0 113.804 174.237 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 18.9 pt -53.0 -36.48 24.23 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.457 0 N-CA-C 114.053 1.131 . . . . 0.0 114.053 -168.29 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.449 ' HG2' HG12 ' A' ' 80' ' ' ILE . 95.6 mtt180 -60.03 -44.03 94.92 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-O 121.501 0.667 . . . . 0.0 110.163 176.59 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . 0.618 ' O ' HG13 ' A' ' 50' ' ' ILE . 1.7 mpt? -69.85 -29.56 66.84 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.147 -0.933 . . . . 0.0 110.527 179.65 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.407 ' CG2' ' HD2' ' A' ' 68' ' ' ARG . 96.2 t -58.28 -46.75 88.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-O 120.659 0.266 . . . . 0.0 110.441 177.167 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 11.1 mp -66.26 -35.67 81.01 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.942 177.476 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -66.86 -46.75 74.05 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.9 0.381 . . . . 0.0 111.23 177.61 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.618 HG13 ' O ' ' A' ' 46' ' ' MET . 66.2 mt -64.95 -33.8 66.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.059 -0.519 . . . . 0.0 109.686 177.755 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.505 ' O ' ' HG2' ' A' ' 55' ' ' ARG . 5.4 tp -59.8 -55.95 27.84 Favored 'General case' 0 N--CA 1.451 -0.422 0 CA-C-N 115.659 -0.701 . . . . 0.0 110.046 175.725 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -55.29 -39.03 69.39 Favored 'General case' 0 C--O 1.233 0.205 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.771 179.458 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.421 ' HB3' ' O ' ' A' ' 50' ' ' ILE . 77.2 t80 -54.84 -57.58 11.0 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.672 -0.694 . . . . 0.0 110.003 173.867 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 94.7 mt -69.32 -11.51 60.87 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.848 -178.191 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.505 ' HG2' ' O ' ' A' ' 51' ' ' LEU . 23.1 mmm180 -81.8 -48.48 11.55 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.092 0.472 . . . . 0.0 110.786 176.196 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . 0.407 ' O ' ' HG3' ' B' ' 46' ' ' MET . 77.2 m-85 -96.78 -15.52 21.3 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.052 -0.522 . . . . 0.0 112.292 -173.774 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 12.0 p -110.24 -3.34 16.33 Favored 'General case' 0 C--N 1.325 -0.477 0 C-N-CA 120.274 -0.57 . . . . 0.0 111.225 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -152.18 179.51 8.45 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.722 -175.562 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 50.0 mm -114.72 113.76 44.62 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-N 115.887 -0.597 . . . . 0.0 109.809 176.875 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 20.8 ttpt 68.3 110.2 0.03 OUTLIER Pre-proline 0 N--CA 1.464 0.266 0 O-C-N 123.971 0.795 . . . . 0.0 111.224 -179.335 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 36.9 Cg_exo -61.04 147.66 95.06 Favored 'Trans proline' 0 C--O 1.232 0.215 0 C-N-CA 122.544 2.163 . . . . 0.0 111.61 174.6 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 9.5 m -61.81 141.9 57.64 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.472 -179.091 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 89.7 mt -61.62 -23.41 66.02 Favored 'General case' 0 N--CA 1.462 0.157 0 CA-C-N 115.612 -0.722 . . . . 0.0 112.356 -171.753 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -62.43 -47.05 92.29 Favored Glycine 0 C--O 1.24 0.472 0 C-N-CA 120.478 -0.868 . . . . 0.0 111.338 174.68 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -64.71 -42.42 95.28 Favored 'General case' 0 C--O 1.22 -0.482 0 N-CA-C 109.891 -0.411 . . . . 0.0 109.891 176.678 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 39.6 mm -59.18 -42.09 85.75 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.257 0 CA-C-O 121.135 0.493 . . . . 0.0 110.857 178.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 27.4 t-20 -59.41 -44.92 92.76 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.98 179.006 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.407 ' HD2' ' CG2' ' A' ' 47' ' ' VAL . 29.8 ttm180 -78.05 -28.38 48.95 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.348 0.594 . . . . 0.0 109.546 -177.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' TRP . . . . . 0.608 ' NE1' HD11 ' B' ' 95' ' ' ILE . 31.9 t90 -60.51 -46.43 90.19 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 114.842 -1.072 . . . . 0.0 110.61 177.783 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -71.73 -15.01 75.6 Favored Glycine 0 N--CA 1.449 -0.443 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.327 177.534 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 25.2 m -87.82 -14.49 39.4 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.781 0.324 . . . . 0.0 110.955 -178.654 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 55.0 t -63.58 136.41 26.28 Favored 'Isoleucine or valine' 0 C--O 1.239 0.539 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.602 178.131 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -62.91 140.4 45.65 Favored Glycine 0 N--CA 1.443 -0.847 0 N-CA-C 111.127 -0.789 . . . . 0.0 111.127 177.121 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.442 ' HE3' ' HA ' ' B' ' 99' ' ' LYS . 41.4 mmtt -72.3 -32.18 66.35 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-O 120.998 0.427 . . . . 0.0 110.029 -171.648 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 22.8 tptm -65.91 -47.9 73.21 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.648 -0.705 . . . . 0.0 109.446 173.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.606 ' O ' HG13 ' A' ' 80' ' ' ILE . 5.1 tp10 -58.91 -48.26 82.07 Favored 'General case' 0 N--CA 1.448 -0.554 0 CA-C-N 115.077 -0.965 . . . . 0.0 109.89 179.651 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.401 ' O ' HG12 ' A' ' 81' ' ' ILE . . . -56.55 -41.77 77.41 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.46 -178.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . 0.407 ' HG3' ' O ' ' A' ' 74' ' ' LYS . 63.9 mtt -59.42 -43.12 93.1 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-O 120.832 0.348 . . . . 0.0 110.55 178.662 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.528 ' O ' ' HG2' ' A' ' 83' ' ' LYS . 38.9 mt-10 -70.44 -40.78 73.56 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.804 179.2 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.606 HG13 ' O ' ' A' ' 76' ' ' GLU . 84.8 mt -60.56 -49.82 82.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.675 179.231 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.401 HG12 ' O ' ' A' ' 77' ' ' ALA . 42.6 mm -59.96 -37.73 73.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.58 178.848 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 57.9 tttm -62.54 -46.19 89.5 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.362 178.529 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.528 ' HG2' ' O ' ' A' ' 79' ' ' GLU . 11.6 mmpt? -66.68 -38.24 86.39 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.385 178.713 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . 0.427 ' O ' ' HG ' ' A' ' 88' ' ' LEU . 2.2 t80 -62.2 -49.71 74.68 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.246 -179.011 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -61.57 -34.39 75.51 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.852 178.933 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 86.9 tttt -65.2 -44.44 88.36 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.662 178.914 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . 0.618 ' O ' ' HG3' ' A' ' 91' ' ' MET . 16.8 t70 -68.88 -35.61 77.09 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 110.05 -0.352 . . . . 0.0 110.05 -178.6 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.427 ' HG ' ' O ' ' A' ' 84' ' ' PHE . 93.0 mt -59.74 -39.54 85.11 Favored 'General case' 0 N--CA 1.463 0.175 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.457 175.396 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -62.82 -40.64 98.02 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.459 177.735 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . 0.487 ' O ' HG13 ' A' ' 94' ' ' ILE . . . -64.03 -44.86 91.24 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.284 177.082 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' MET . . . . . 0.618 ' HG3' ' O ' ' A' ' 87' ' ' ASP . 54.9 mtt -55.28 -50.17 70.22 Favored 'General case' 0 CA--C 1.52 -0.209 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.162 177.421 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 67.7 tp -53.08 -47.86 68.21 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.333 -0.848 . . . . 0.0 111.77 -178.369 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 77.1 ttt180 -63.29 -38.33 90.74 Favored 'General case' 0 N--CA 1.445 -0.714 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.716 -178.453 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 0.487 HG13 ' O ' ' A' ' 90' ' ' ALA . 55.4 mt -71.14 -32.79 48.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.611 179.402 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.606 HD11 ' NE1' ' B' ' 69' ' ' TRP . 23.3 mm -53.71 -49.4 57.46 Favored 'Isoleucine or valine' 0 C--O 1.234 0.265 0 CA-C-O 121.315 0.579 . . . . 0.0 109.466 173.181 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 63.8 t30 -66.63 -35.98 81.49 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.096 -0.956 . . . . 0.0 110.72 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -68.33 -26.34 65.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.185 0.517 . . . . 0.0 110.45 177.832 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 36.0 mmt180 -91.88 27.26 2.15 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.99 177.443 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . 0.451 ' HE2' ' HG3' ' B' ' 74' ' ' LYS . 39.1 ttmt -79.33 -37.37 37.73 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 108.954 -0.758 . . . . 0.0 108.954 173.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 24.6 tt0 65.66 18.36 11.18 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-N 114.623 -1.172 . . . . 0.0 110.738 175.224 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . 0.442 ' O ' ' HD2' ' A' ' 99' ' ' LYS . 20.6 ptmt -162.62 169.94 19.34 Favored 'General case' 0 C--N 1.322 -0.587 0 N-CA-C 108.267 -1.012 . . . . 0.0 108.267 -179.729 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 4.7 ttmp? -158.13 141.19 14.96 Favored 'General case' 0 C--N 1.32 -0.697 0 C-N-CA 120.489 -0.484 . . . . 0.0 111.139 -176.36 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . 0.427 ' NE ' ' HA ' ' A' ' 103' ' ' ARG . 5.2 mmp_? -111.39 140.38 46.02 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.99 -0.55 . . . . 0.0 109.757 175.747 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . 0.426 ' N ' ' HD2' ' A' ' 104' ' ' ARG . 4.4 mpt_? . . . . . 0 C--O 1.249 1.061 0 O-C-N 123.845 0.715 . . . . 0.0 111.005 -178.797 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.084 0 CA-C-O 120.925 0.393 . . . . 0.0 110.435 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 36' ' ' GLY . . . . . . . . . . . . . . . -58.22 -41.43 94.84 Favored Glycine 0 CA--C 1.505 -0.54 0 CA-C-N 116.034 -0.53 . . . . 0.0 113.434 -175.493 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 6.5 mp -68.14 -6.58 23.87 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.881 0.34 . . . . 0.0 111.822 -176.166 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 88.4 mt -114.19 -40.61 3.65 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.606 0.241 . . . . 0.0 111.182 179.189 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -97.91 -55.06 2.9 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.634 -0.257 . . . . 0.0 111.521 -177.246 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 40' ' ' GLY . . . . . 0.697 ' O ' ' HD2' ' B' ' 43' ' ' PRO . . . -73.19 -33.97 58.63 Favored Glycine 0 C--O 1.222 -0.628 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.016 -174.907 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 41' ' ' HIS . . . . . . . . . . . . . 59.6 t-80 -66.14 87.87 0.11 Allowed 'General case' 0 C--N 1.318 -0.785 0 C-N-CA 123.053 0.541 . . . . 0.0 110.777 177.67 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 42' ' ' GLY . . . . . . . . . . . . . . . 166.43 -55.0 0.24 Allowed Glycine 0 CA--C 1.522 0.52 0 C-N-CA 120.375 -0.916 . . . . 0.0 113.819 178.725 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 43' ' ' PRO . . . . . 0.697 ' HD2' ' O ' ' B' ' 40' ' ' GLY . 72.3 Cg_exo -43.92 157.4 0.15 Allowed 'Trans proline' 0 C--N 1.351 0.709 0 C-N-CA 123.473 2.782 . . . . 0.0 113.864 174.269 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 18.5 pt -52.66 -36.63 23.04 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.45 0 N-CA-C 114.032 1.123 . . . . 0.0 114.032 -168.242 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 45' ' ' ARG . . . . . 0.459 ' HG2' HG12 ' B' ' 80' ' ' ILE . 95.6 mtt180 -60.05 -43.85 95.1 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-O 121.48 0.657 . . . . 0.0 110.24 176.682 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 46' ' ' MET . . . . . 0.622 ' O ' HG13 ' B' ' 50' ' ' ILE . 1.7 mpt? -69.88 -29.62 66.88 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.145 -0.934 . . . . 0.0 110.574 179.564 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 47' ' ' VAL . . . . . 0.409 ' CG2' ' HD2' ' B' ' 68' ' ' ARG . 98.1 t -58.23 -46.85 88.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-O 120.636 0.255 . . . . 0.0 110.348 177.226 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 11.1 mp -66.21 -35.71 81.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.915 177.555 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -66.85 -46.68 74.27 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.841 0.353 . . . . 0.0 111.165 177.645 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 50' ' ' ILE . . . . . 0.622 HG13 ' O ' ' B' ' 46' ' ' MET . 66.1 mt -65.03 -33.96 67.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.074 -0.512 . . . . 0.0 109.65 177.811 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 51' ' ' LEU . . . . . 0.509 HD22 ' NE1' ' B' ' 69' ' ' TRP . 5.4 tp -59.64 -55.98 27.59 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.054 175.692 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -55.23 -39.06 69.26 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.859 179.379 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 53' ' ' PHE . . . . . 0.417 ' HB3' ' O ' ' B' ' 50' ' ' ILE . 77.2 t80 -54.77 -57.66 10.65 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.097 173.75 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 54' ' ' LEU . . . . . . . . . . . . . 94.8 mt -69.24 -11.5 60.85 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.922 -178.244 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 55' ' ' ARG . . . . . 0.504 ' HG2' ' O ' ' B' ' 51' ' ' LEU . 23.2 mmm180 -81.83 -48.29 11.76 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.992 0.425 . . . . 0.0 110.909 176.125 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 56' ' ' PHE . . . . . 0.416 ' O ' ' HG3' ' A' ' 46' ' ' MET . 77.2 m-85 -96.98 -15.34 21.15 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.055 -0.521 . . . . 0.0 112.314 -173.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 57' ' ' THR . . . . . . . . . . . . . 12.1 p -110.48 -3.16 16.18 Favored 'General case' 0 C--N 1.326 -0.429 0 C-N-CA 120.325 -0.55 . . . . 0.0 111.14 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -152.43 179.34 8.65 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.89 -175.686 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 59' ' ' ILE . . . . . . . . . . . . . 50.1 mm -114.48 113.8 44.79 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 CA-C-N 115.87 -0.605 . . . . 0.0 109.765 176.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 20.9 ttpt 68.05 110.06 0.03 OUTLIER Pre-proline 0 N--CA 1.464 0.265 0 O-C-N 123.864 0.727 . . . . 0.0 111.286 -179.441 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 61' ' ' PRO . . . . . . . . . . . . . 36.2 Cg_exo -60.98 147.48 95.58 Favored 'Trans proline' 0 C--O 1.234 0.294 0 C-N-CA 122.587 2.191 . . . . 0.0 111.559 174.708 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 10.5 m -61.64 141.88 57.52 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.564 -179.076 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 89.3 mt -61.36 -23.39 65.73 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-N 115.616 -0.72 . . . . 0.0 112.386 -171.792 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -62.68 -47.22 90.81 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.5 -0.857 . . . . 0.0 111.238 174.895 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -64.47 -42.24 96.03 Favored 'General case' 0 C--O 1.22 -0.482 0 N-CA-C 109.844 -0.428 . . . . 0.0 109.844 176.744 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 66' ' ' ILE . . . . . . . . . . . . . 39.4 mm -59.48 -41.75 85.65 Favored 'Isoleucine or valine' 0 C--O 1.234 0.238 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.87 179.034 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 67' ' ' ASN . . . . . . . . . . . . . 27.5 t-20 -59.71 -44.9 93.51 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.923 178.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 68' ' ' ARG . . . . . 0.409 ' HD2' ' CG2' ' B' ' 47' ' ' VAL . 29.7 ttm180 -77.91 -28.52 49.79 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.383 0.611 . . . . 0.0 109.622 -178.067 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 69' ' ' TRP . . . . . 0.606 ' NE1' HD11 ' A' ' 95' ' ' ILE . 31.9 t90 -60.41 -46.5 89.78 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 114.825 -1.08 . . . . 0.0 110.629 177.888 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . -71.74 -15.42 75.78 Favored Glycine 0 N--CA 1.449 -0.447 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.254 177.786 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 71' ' ' SER . . . . . . . . . . . . . 29.5 m -87.11 -15.11 39.43 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.744 0.307 . . . . 0.0 110.98 -178.646 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 72' ' ' VAL . . . . . . . . . . . . . 54.4 t -63.04 136.45 26.05 Favored 'Isoleucine or valine' 0 C--O 1.239 0.52 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.661 178.314 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 73' ' ' GLY . . . . . . . . . . . . . . . -62.72 139.96 45.57 Favored Glycine 0 N--CA 1.444 -0.788 0 N-CA-C 111.22 -0.752 . . . . 0.0 111.22 176.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 74' ' ' LYS . . . . . 0.451 ' HG3' ' HE2' ' A' ' 99' ' ' LYS . 41.5 mmtt -72.06 -31.8 66.47 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-O 120.956 0.408 . . . . 0.0 110.099 -171.763 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 75' ' ' LYS . . . . . . . . . . . . . 22.8 tptm -66.28 -47.68 72.87 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.694 -0.685 . . . . 0.0 109.471 174.117 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 76' ' ' GLU . . . . . 0.61 ' O ' HG13 ' B' ' 80' ' ' ILE . 5.1 tp10 -59.18 -48.2 82.51 Favored 'General case' 0 N--CA 1.449 -0.508 0 CA-C-N 114.855 -1.066 . . . . 0.0 109.76 179.739 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 77' ' ' ALA . . . . . . . . . . . . . . . -56.56 -41.76 77.44 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.844 -0.616 . . . . 0.0 111.456 -179.024 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 78' ' ' MET . . . . . . . . . . . . . 63.4 mtt -59.47 -43.03 93.32 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.94 0.4 . . . . 0.0 110.595 178.729 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 79' ' ' GLU . . . . . 0.522 ' O ' ' HG2' ' B' ' 83' ' ' LYS . 38.3 mt-10 -70.51 -40.84 73.28 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.831 179.18 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 80' ' ' ILE . . . . . 0.61 HG13 ' O ' ' B' ' 76' ' ' GLU . 84.3 mt -60.36 -49.72 83.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.8 179.137 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 81' ' ' ILE . . . . . . . . . . . . . 42.5 mm -60.25 -37.56 74.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.59 178.806 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 82' ' ' LYS . . . . . . . . . . . . . 57.9 tttm -62.64 -46.13 89.64 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.432 178.496 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 83' ' ' LYS . . . . . 0.522 ' HG2' ' O ' ' B' ' 79' ' ' GLU . 11.6 mmpt? -66.65 -38.39 86.78 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.418 178.581 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 84' ' ' PHE . . . . . 0.421 ' O ' ' HG ' ' B' ' 88' ' ' LEU . 2.2 t80 -62.22 -49.71 74.67 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.252 -179.014 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 85' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -61.44 -34.27 75.13 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.885 178.868 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 86' ' ' LYS . . . . . . . . . . . . . 86.9 tttt -65.34 -44.29 88.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.718 178.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 87' ' ' ASP . . . . . 0.645 ' O ' ' HG3' ' B' ' 91' ' ' MET . 17.0 t70 -69.19 -35.35 76.14 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 109.973 -0.38 . . . . 0.0 109.973 -178.406 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 88' ' ' LEU . . . . . 0.421 ' HG ' ' O ' ' B' ' 84' ' ' PHE . 93.1 mt -59.94 -39.51 85.78 Favored 'General case' 0 N--CA 1.462 0.148 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.381 175.412 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -62.98 -40.65 98.36 Favored 'General case' 0 C--O 1.235 0.33 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.396 177.801 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 90' ' ' ALA . . . . . 0.5 ' O ' HG13 ' B' ' 94' ' ' ILE . . . -63.74 -45.0 91.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.481 176.773 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 91' ' ' MET . . . . . 0.645 ' HG3' ' O ' ' B' ' 87' ' ' ASP . 54.9 mtt -55.33 -50.2 70.24 Favored 'General case' 0 CA--C 1.52 -0.185 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.192 177.373 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 92' ' ' LEU . . . . . . . . . . . . . 67.0 tp -53.17 -48.16 68.24 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-N 115.292 -0.867 . . . . 0.0 111.606 -178.181 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 93' ' ' ARG . . . . . . . . . . . . . 77.1 ttt180 -62.94 -38.18 90.01 Favored 'General case' 0 N--CA 1.444 -0.751 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.75 -178.433 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 94' ' ' ILE . . . . . 0.5 HG13 ' O ' ' B' ' 90' ' ' ALA . 56.2 mt -71.41 -32.69 47.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.56 179.567 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 95' ' ' ILE . . . . . 0.608 HD11 ' NE1' ' A' ' 69' ' ' TRP . 23.2 mm -53.66 -49.55 55.91 Favored 'Isoleucine or valine' 0 C--O 1.235 0.325 0 N-CA-C 109.442 -0.577 . . . . 0.0 109.442 173.08 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 96' ' ' ASN . . . . . . . . . . . . . 62.7 t30 -66.59 -35.98 81.51 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.081 -0.963 . . . . 0.0 110.655 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 97' ' ' ALA . . . . . . . . . . . . . . . -68.14 -26.88 66.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.258 0.552 . . . . 0.0 110.44 177.889 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 98' ' ' ARG . . . . . . . . . . . . . 36.0 mmt180 -91.29 26.95 2.05 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.601 -0.727 . . . . 0.0 111.093 177.632 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 99' ' ' LYS . . . . . 0.442 ' HA ' ' HE3' ' A' ' 74' ' ' LYS . 39.1 ttmt -79.12 -37.22 39.13 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 109.106 -0.702 . . . . 0.0 109.106 174.039 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 100' ' ' GLU . . . . . . . . . . . . . 24.4 tt0 65.59 18.12 11.13 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-N 114.512 -1.222 . . . . 0.0 110.818 175.105 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 101' ' ' LYS . . . . . 0.421 ' O ' ' HD2' ' B' ' 99' ' ' LYS . 20.5 ptmt -162.27 170.56 18.75 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 108.308 -0.997 . . . . 0.0 108.308 -179.707 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 102' ' ' LYS . . . . . . . . . . . . . 4.7 ttmp? -158.84 140.92 13.82 Favored 'General case' 0 C--N 1.322 -0.628 0 C-N-CA 120.563 -0.455 . . . . 0.0 111.105 -176.419 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 103' ' ' ARG . . . . . 0.426 ' HA ' ' NE ' ' B' ' 103' ' ' ARG . 5.2 mmp_? -111.13 140.35 45.75 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.986 -0.552 . . . . 0.0 109.807 175.74 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 104' ' ' ARG . . . . . 0.432 ' HD2' ' N ' ' B' ' 104' ' ' ARG . 4.4 mpt_? . . . . . 0 C--O 1.248 0.98 0 O-C-N 123.815 0.697 . . . . 0.0 111.129 -178.83 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 0.972 0 CA-C-O 120.973 0.416 . . . . 0.0 110.47 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -59.48 -28.6 65.15 Favored Glycine 0 N--CA 1.451 -0.322 0 CA-C-N 115.801 -0.636 . . . . 0.0 112.971 -177.241 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 57.2 tp -66.34 -29.08 69.2 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 120.791 0.329 . . . . 0.0 111.002 -179.801 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -93.52 -24.1 18.1 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.813 0.34 . . . . 0.0 111.034 -177.225 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -93.44 -13.1 28.35 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.517 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 84.14 40.03 8.87 Favored Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.871 -0.681 . . . . 0.0 111.874 -179.798 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 9.8 t60 -130.48 110.37 11.41 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 109.942 -0.392 . . . . 0.0 109.942 -177.086 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.589 ' HA3' ' SD ' ' A' ' 46' ' ' MET . . . -156.29 -177.59 29.61 Favored Glycine 0 N--CA 1.446 -0.653 0 C-N-CA 120.497 -0.859 . . . . 0.0 112.313 -179.55 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.578 ' O ' HG23 ' A' ' 47' ' ' VAL . 31.4 Cg_exo -61.94 168.62 8.6 Favored 'Trans proline' 0 CA--C 1.528 0.224 0 C-N-CA 123.4 2.733 . . . . 0.0 112.709 178.274 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 13.4 pt -57.35 -35.5 49.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 N-CA-C 112.126 0.417 . . . . 0.0 112.126 -175.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.41 HH11 ' HD3' ' A' ' 45' ' ' ARG . 44.4 mtp-105 -59.96 -45.63 92.04 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 121.307 0.575 . . . . 0.0 110.288 175.201 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . 0.589 ' SD ' ' HA3' ' A' ' 42' ' ' GLY . 56.4 ttm -68.04 -31.09 70.51 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.42 -0.809 . . . . 0.0 110.362 -179.802 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.578 HG23 ' O ' ' A' ' 43' ' ' PRO . 59.1 t -58.59 -48.99 84.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.55 177.068 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 88.4 mt -69.52 -29.83 67.53 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.807 179.571 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -69.69 -48.93 57.92 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.21 178.879 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 30.3 pt -70.28 -24.94 26.38 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-O 121.106 0.479 . . . . 0.0 110.343 179.49 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.432 HD22 ' CD1' ' A' ' 69' ' ' TRP . 10.7 tp -66.53 -49.01 67.92 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.741 -0.663 . . . . 0.0 109.782 173.913 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -57.88 -37.75 74.52 Favored 'General case' 0 C--O 1.233 0.192 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.423 178.349 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 82.3 t80 -55.79 -63.49 1.16 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.77 -0.65 . . . . 0.0 109.881 174.313 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 95.8 mt -66.09 -5.91 11.42 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.062 0.458 . . . . 0.0 112.018 -178.198 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 28.6 tpt180 -89.95 -51.36 5.52 Favored 'General case' 0 N--CA 1.425 -1.714 0 CA-C-O 120.919 0.39 . . . . 0.0 110.441 177.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 92.4 m-85 -89.0 -24.18 22.44 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.936 -175.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 30.7 p -90.85 2.91 55.74 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 109.851 -0.426 . . . . 0.0 109.851 177.063 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.411 ' O ' ' HB ' ' A' ' 59' ' ' ILE . . . 72.56 -172.34 0.15 Allowed 'General case' 0 C--O 1.231 0.089 0 CA-C-N 114.773 -1.103 . . . . 0.0 111.305 -179.225 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.411 ' HB ' ' O ' ' A' ' 58' ' ' ALA . 47.8 mm 71.84 105.21 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.464 0.238 0 O-C-N 123.728 0.642 . . . . 0.0 110.141 -172.458 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 58.1 tttp -62.2 126.73 88.35 Favored Pre-proline 0 C--N 1.326 -0.429 0 CA-C-N 115.496 -0.774 . . . . 0.0 111.259 -175.082 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 45.0 Cg_exo -56.43 138.1 82.84 Favored 'Trans proline' 0 C--N 1.345 0.367 0 C-N-CA 122.919 2.412 . . . . 0.0 111.826 176.58 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 16.4 m -69.27 165.13 21.24 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.101 -179.144 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -61.07 -28.82 69.35 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.712 -0.222 . . . . 0.0 111.302 -176.101 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -60.14 -43.18 98.6 Favored Glycine 0 N--CA 1.453 -0.212 0 C-N-CA 120.576 -0.821 . . . . 0.0 111.448 176.034 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -64.15 -47.65 79.07 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 109.682 -0.488 . . . . 0.0 109.682 177.511 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 50.4 mm -62.63 -36.58 75.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 115.475 -0.784 . . . . 0.0 111.274 -177.58 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 10.1 t30 -64.68 -43.61 93.01 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.88 178.621 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 51.0 ttp180 -76.59 -30.4 56.97 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.527 0.68 . . . . 0.0 109.683 -178.49 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' TRP . . . . . 0.466 ' CD1' HD11 ' B' ' 95' ' ' ILE . 39.0 t90 -57.96 -49.56 76.38 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 114.822 -1.081 . . . . 0.0 110.638 175.104 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -74.77 1.07 55.17 Favored Glycine 0 CA--C 1.521 0.454 0 C-N-CA 120.889 -0.672 . . . . 0.0 112.853 177.812 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 58.2 m -94.35 -13.52 26.3 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.775 0.322 . . . . 0.0 110.73 178.838 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 47.8 t -68.32 136.32 26.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 0.0 109.803 176.819 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -62.71 139.74 45.41 Favored Glycine 0 N--CA 1.443 -0.856 0 C-N-CA 120.782 -0.723 . . . . 0.0 111.414 178.109 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.515 ' O ' ' HG3' ' A' ' 78' ' ' MET . 25.5 mmtp -65.13 -39.93 93.73 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 109.388 -0.597 . . . . 0.0 109.388 -175.058 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 22.6 tptm -62.71 -47.33 84.07 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.234 -0.894 . . . . 0.0 110.248 176.144 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.469 ' O ' HG13 ' A' ' 80' ' ' ILE . 9.5 tp10 -64.7 -41.33 96.09 Favored 'General case' 0 N--CA 1.45 -0.471 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.296 -178.381 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -57.15 -41.22 78.75 Favored 'General case' 0 N--CA 1.454 -0.232 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.525 178.394 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . 0.515 ' HG3' ' O ' ' A' ' 74' ' ' LYS . 66.3 mtt -60.91 -43.39 98.61 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.388 178.071 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -69.66 -39.66 76.92 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.927 -0.579 . . . . 0.0 111.254 -179.432 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.469 HG13 ' O ' ' A' ' 76' ' ' GLU . 88.7 mt -65.43 -50.42 72.71 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.68 178.699 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 43.5 mm -61.75 -34.31 61.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.512 179.362 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 24.0 tptm -60.32 -49.5 77.37 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.486 177.033 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 57.3 mttp -71.55 -28.72 64.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.532 179.877 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . 0.523 ' O ' ' HG ' ' A' ' 88' ' ' LEU . 2.0 t80 -62.38 -53.8 49.63 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.914 -0.585 . . . . 0.0 109.436 177.47 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -62.27 -35.11 77.97 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.844 -0.617 . . . . 0.0 110.779 178.131 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 6.7 tmtm? -62.71 -49.47 74.96 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.223 -179.591 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -69.64 -32.26 70.85 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.27 -178.009 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.523 ' HG ' ' O ' ' A' ' 84' ' ' PHE . 86.8 mt -63.0 -42.17 99.78 Favored 'General case' 0 N--CA 1.463 0.188 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.63 174.744 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -60.76 -44.54 96.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.459 179.071 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . 0.661 ' O ' HG13 ' A' ' 94' ' ' ILE . . . -61.89 -46.42 89.47 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.39 176.487 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 60.9 tpp -59.51 -40.76 88.13 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.695 -179.829 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 58.0 tp -58.77 -43.62 90.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.789 177.877 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 80.0 mtp180 -66.14 -29.44 69.74 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.098 179.86 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 0.661 HG13 ' O ' ' A' ' 90' ' ' ALA . 12.7 mt -74.04 -34.96 40.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 C-N-CA 120.818 -0.353 . . . . 0.0 110.555 178.666 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.479 HD11 ' CD1' ' B' ' 69' ' ' TRP . 20.3 mm -55.54 -49.26 74.81 Favored 'Isoleucine or valine' 0 C--O 1.232 0.179 0 N-CA-C 109.16 -0.682 . . . . 0.0 109.16 173.08 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' ASN . . . . . 0.495 ' OD1' ' HB3' ' B' ' 74' ' ' LYS . 86.9 m-20 -59.42 -45.79 90.56 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.019 175.355 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -65.49 -6.5 10.78 Favored 'General case' 0 CA--C 1.53 0.204 0 CA-C-N 115.639 -0.71 . . . . 0.0 112.822 -175.262 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . 0.47 ' HD2' ' CZ3' ' B' ' 69' ' ' TRP . 5.6 mmp_? -64.36 -20.43 66.12 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 121.311 0.576 . . . . 0.0 109.712 172.397 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 30.2 mmmt -138.24 -58.93 0.64 Allowed 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.321 -0.854 . . . . 0.0 109.834 179.413 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . 0.402 ' HG3' ' HB3' ' A' ' 103' ' ' ARG . 7.4 tp10 58.08 55.44 5.21 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.154 -0.93 . . . . 0.0 110.237 -176.182 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 62.5 pttt -75.71 -12.82 60.27 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.356 177.734 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 37.1 mmtm -92.2 22.86 4.14 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.0 177.527 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . 0.402 ' HB3' ' HG3' ' A' ' 100' ' ' GLU . 39.2 ptt180 -69.17 -26.67 64.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.081 0.467 . . . . 0.0 110.186 175.66 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 8.0 tpm_? . . . . . 0 C--O 1.247 0.954 0 CA-C-O 118.55 -0.738 . . . . 0.0 109.755 178.152 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.0 0 CA-C-O 121.009 0.433 . . . . 0.0 110.54 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 36' ' ' GLY . . . . . . . . . . . . . . . -59.38 -28.68 65.0 Favored Glycine 0 N--CA 1.452 -0.258 0 CA-C-N 115.754 -0.657 . . . . 0.0 112.914 -177.167 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 57.1 tp -65.98 -29.53 69.93 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 120.955 0.407 . . . . 0.0 110.997 -179.789 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -92.94 -24.68 18.32 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.919 -176.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -92.83 -13.93 28.45 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.827 0.346 . . . . 0.0 111.451 -179.777 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . 84.79 39.87 8.5 Favored Glycine 0 N--CA 1.45 -0.43 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.031 -179.437 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 41' ' ' HIS . . . . . . . . . . . . . 10.0 t60 -130.45 109.94 11.09 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 110.071 -0.344 . . . . 0.0 110.071 -176.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 42' ' ' GLY . . . . . 0.585 ' HA3' ' SD ' ' B' ' 46' ' ' MET . . . -155.58 -177.49 28.87 Favored Glycine 0 N--CA 1.446 -0.645 0 C-N-CA 120.475 -0.869 . . . . 0.0 112.329 -179.489 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 43' ' ' PRO . . . . . 0.576 ' O ' HG23 ' B' ' 47' ' ' VAL . 31.3 Cg_exo -62.24 168.85 8.71 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 123.386 2.724 . . . . 0.0 112.741 178.059 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 13.2 pt -57.48 -35.47 49.89 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.412 0 N-CA-C 112.12 0.415 . . . . 0.0 112.12 -175.756 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 45' ' ' ARG . . . . . 0.401 HH11 ' HD3' ' B' ' 45' ' ' ARG . 44.9 mtp180 -60.06 -45.53 92.57 Favored 'General case' 0 N--CA 1.462 0.157 0 CA-C-O 121.235 0.54 . . . . 0.0 110.288 175.301 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 46' ' ' MET . . . . . 0.585 ' SD ' ' HA3' ' B' ' 42' ' ' GLY . 55.9 ttm -68.02 -31.15 70.63 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.496 -0.775 . . . . 0.0 110.411 -179.903 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 47' ' ' VAL . . . . . 0.576 HG23 ' O ' ' B' ' 43' ' ' PRO . 58.0 t -58.42 -49.15 83.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.568 176.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 87.9 mt -69.42 -30.0 67.85 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.724 179.665 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -69.57 -48.95 58.53 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.235 178.875 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 50' ' ' ILE . . . . . . . . . . . . . 30.3 pt -70.3 -24.8 26.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.902 0.382 . . . . 0.0 110.293 179.464 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 51' ' ' LEU . . . . . 0.44 HD22 ' CD1' ' B' ' 69' ' ' TRP . 10.6 tp -66.65 -49.04 67.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.874 -0.603 . . . . 0.0 109.711 173.941 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -57.83 -37.67 74.24 Favored 'General case' 0 C--O 1.233 0.213 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.427 178.34 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 53' ' ' PHE . . . . . . . . . . . . . 82.4 t80 -55.94 -63.31 1.22 Allowed 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.797 -0.638 . . . . 0.0 109.909 174.327 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 54' ' ' LEU . . . . . . . . . . . . . 95.8 mt -66.17 -5.84 11.47 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-O 121.039 0.447 . . . . 0.0 112.1 -178.272 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 55' ' ' ARG . . . . . . . . . . . . . 28.6 tpt180 -89.91 -51.46 5.47 Favored 'General case' 0 N--CA 1.425 -1.711 0 CA-C-O 120.949 0.404 . . . . 0.0 110.481 177.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 56' ' ' PHE . . . . . 0.42 ' CZ ' ' HA ' ' A' ' 84' ' ' PHE . 92.3 m-85 -88.95 -24.1 22.51 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.112 -0.494 . . . . 0.0 112.059 -175.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 57' ' ' THR . . . . . . . . . . . . . 31.0 p -90.81 2.56 55.98 Favored 'General case' 0 C--O 1.236 0.366 0 CA-C-O 121.053 0.454 . . . . 0.0 109.913 176.924 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 58' ' ' ALA . . . . . 0.422 ' O ' ' HB ' ' B' ' 59' ' ' ILE . . . 72.73 -172.46 0.14 Allowed 'General case' 0 N--CA 1.462 0.127 0 CA-C-N 114.737 -1.12 . . . . 0.0 111.173 -179.154 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 59' ' ' ILE . . . . . 0.422 ' HB ' ' O ' ' B' ' 58' ' ' ALA . 47.5 mm 72.03 105.39 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.462 0.173 0 O-C-N 123.723 0.64 . . . . 0.0 110.169 -172.459 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 58.4 tttp -62.38 126.91 89.02 Favored Pre-proline 0 C--N 1.327 -0.405 0 CA-C-N 115.438 -0.801 . . . . 0.0 111.094 -174.916 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 61' ' ' PRO . . . . . . . . . . . . . 45.1 Cg_exo -56.44 138.49 84.31 Favored 'Trans proline' 0 C--N 1.345 0.392 0 C-N-CA 122.892 2.395 . . . . 0.0 111.878 176.362 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 16.0 m -69.65 164.9 22.36 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.056 -179.111 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 63' ' ' LEU . . . . . 0.403 HD13 ' HA ' ' B' ' 63' ' ' LEU . 4.2 mm? -60.68 -29.11 69.1 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.702 -0.226 . . . . 0.0 111.241 -176.348 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -60.34 -42.64 98.93 Favored Glycine 0 C--O 1.237 0.289 0 C-N-CA 120.542 -0.837 . . . . 0.0 111.558 176.372 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -64.43 -47.7 78.12 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 109.737 -0.468 . . . . 0.0 109.737 177.187 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 66' ' ' ILE . . . . . . . . . . . . . 50.3 mm -62.71 -36.56 75.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 115.462 -0.79 . . . . 0.0 111.334 -177.567 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 67' ' ' ASN . . . . . . . . . . . . . 10.2 t30 -64.63 -43.52 93.43 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.797 178.436 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 68' ' ' ARG . . . . . . . . . . . . . 51.0 ttp180 -76.55 -30.5 57.11 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.508 0.67 . . . . 0.0 109.767 -178.53 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 69' ' ' TRP . . . . . 0.479 ' CD1' HD11 ' A' ' 95' ' ' ILE . 39.3 t90 -57.86 -49.36 76.95 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 114.772 -1.104 . . . . 0.0 110.738 175.112 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . -75.13 1.56 55.28 Favored Glycine 0 CA--C 1.521 0.439 0 C-N-CA 120.943 -0.646 . . . . 0.0 112.829 177.684 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 71' ' ' SER . . . . . . . . . . . . . 55.8 m -94.61 -13.74 25.63 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 122.62 -0.341 . . . . 0.0 110.657 178.724 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 72' ' ' VAL . . . . . . . . . . . . . 47.3 t -68.06 136.43 26.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.227 -0.442 . . . . 0.0 109.851 176.835 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 73' ' ' GLY . . . . . . . . . . . . . . . -62.98 139.84 45.1 Favored Glycine 0 N--CA 1.446 -0.69 0 C-N-CA 120.691 -0.766 . . . . 0.0 111.32 178.087 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 74' ' ' LYS . . . . . 0.535 ' O ' ' HG3' ' B' ' 78' ' ' MET . 25.4 mmtp -65.28 -39.6 92.8 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 109.418 -0.586 . . . . 0.0 109.418 -175.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 75' ' ' LYS . . . . . . . . . . . . . 22.6 tptm -62.77 -47.07 85.13 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.251 -0.886 . . . . 0.0 110.239 176.022 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 76' ' ' GLU . . . . . 0.487 ' O ' HG13 ' B' ' 80' ' ' ILE . 9.9 tp10 -65.23 -41.32 94.51 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.163 -178.238 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 77' ' ' ALA . . . . . . . . . . . . . . . -57.08 -41.2 78.41 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.483 -0.326 . . . . 0.0 110.465 178.374 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 78' ' ' MET . . . . . 0.535 ' HG3' ' O ' ' B' ' 74' ' ' LYS . 66.3 mtt -60.84 -43.21 98.6 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.553 178.003 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 79' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -69.92 -39.52 76.09 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.892 -0.595 . . . . 0.0 111.256 -179.525 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 80' ' ' ILE . . . . . 0.487 HG13 ' O ' ' B' ' 76' ' ' GLU . 88.8 mt -65.44 -50.32 73.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.694 178.811 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 81' ' ' ILE . . . . . . . . . . . . . 44.3 mm -61.71 -34.32 61.65 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.609 179.212 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 82' ' ' LYS . . . . . . . . . . . . . 24.0 tptm -60.37 -49.46 77.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.381 177.13 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 83' ' ' LYS . . . . . . . . . . . . . 57.5 mttp -71.76 -28.51 63.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.506 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 84' ' ' PHE . . . . . 0.54 ' O ' ' HG ' ' B' ' 88' ' ' LEU . 2.0 t80 -62.55 -53.9 47.75 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.874 -0.603 . . . . 0.0 109.449 177.444 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 85' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -62.01 -35.09 77.53 Favored 'General case' 0 C--O 1.233 0.19 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.754 178.039 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 86' ' ' LYS . . . . . . . . . . . . . 6.7 tmtm? -62.77 -49.54 74.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.268 -179.5 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 87' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -69.38 -32.54 71.64 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.18 -178.112 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 88' ' ' LEU . . . . . 0.54 ' HG ' ' O ' ' B' ' 84' ' ' PHE . 87.1 mt -62.89 -42.16 99.67 Favored 'General case' 0 N--CA 1.463 0.194 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.631 174.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -60.7 -44.6 96.36 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.412 179.118 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 90' ' ' ALA . . . . . 0.656 ' O ' HG13 ' B' ' 94' ' ' ILE . . . -61.93 -46.13 90.69 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.387 176.623 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 91' ' ' MET . . . . . . . . . . . . . 61.0 tpp -59.88 -40.82 89.99 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.622 -179.767 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 92' ' ' LEU . . . . . . . . . . . . . 58.1 tp -58.71 -43.61 90.14 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.769 -0.651 . . . . 0.0 110.794 177.798 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 93' ' ' ARG . . . . . . . . . . . . . 80.0 mtp180 -65.88 -29.92 70.44 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.007 179.792 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 94' ' ' ILE . . . . . 0.656 HG13 ' O ' ' B' ' 90' ' ' ALA . 12.9 mt -73.63 -34.85 42.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 C-N-CA 120.791 -0.364 . . . . 0.0 110.582 179.056 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 95' ' ' ILE . . . . . 0.466 HD11 ' CD1' ' A' ' 69' ' ' TRP . 20.3 mm -55.86 -49.07 77.16 Favored 'Isoleucine or valine' 0 C--O 1.232 0.171 0 N-CA-C 109.178 -0.675 . . . . 0.0 109.178 173.151 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 96' ' ' ASN . . . . . 0.507 ' OD1' ' HB3' ' A' ' 74' ' ' LYS . 86.8 m-20 -59.47 -45.78 90.66 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.034 175.272 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 97' ' ' ALA . . . . . . . . . . . . . . . -65.69 -6.22 10.83 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.57 -0.741 . . . . 0.0 112.758 -175.321 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 98' ' ' ARG . . . . . 0.461 ' HD2' ' CZ3' ' A' ' 69' ' ' TRP . 5.6 mmp_? -64.37 -20.42 66.11 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 121.24 0.543 . . . . 0.0 109.736 172.301 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 99' ' ' LYS . . . . . . . . . . . . . 30.2 mmmt -138.6 -58.39 0.63 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.352 -0.84 . . . . 0.0 109.911 179.701 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 100' ' ' GLU . . . . . . . . . . . . . 7.0 tp10 57.47 55.6 5.6 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.12 -0.945 . . . . 0.0 110.224 -176.231 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 101' ' ' LYS . . . . . . . . . . . . . 62.5 pttt -75.47 -12.75 60.3 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.522 -0.763 . . . . 0.0 110.395 177.535 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 102' ' ' LYS . . . . . . . . . . . . . 36.7 mmtm -92.36 21.8 5.01 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.033 178.142 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 103' ' ' ARG . . . . . . . . . . . . . 39.2 ptt180 -68.18 -26.9 65.98 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.174 176.069 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 104' ' ' ARG . . . . . . . . . . . . . 8.0 tpm_? . . . . . 0 C--O 1.247 0.956 0 CA-C-O 118.668 -0.682 . . . . 0.0 109.856 178.237 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 0.988 0 CA-C-O 120.807 0.337 . . . . 0.0 110.597 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -60.12 -27.22 64.66 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 121.178 -0.534 . . . . 0.0 112.527 -179.23 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 59.1 tp -62.91 -32.78 74.13 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.088 0.47 . . . . 0.0 111.146 178.261 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 91.0 mt -95.76 -29.38 14.29 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.889 0.376 . . . . 0.0 111.316 -176.069 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -91.89 -27.27 18.03 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.701 -176.815 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 98.38 -3.47 59.69 Favored Glycine 0 N--CA 1.449 -0.471 0 N-CA-C 111.168 -0.773 . . . . 0.0 111.168 -174.913 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 35.2 t60 -84.43 67.02 9.73 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.197 0.522 . . . . 0.0 109.936 179.653 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -96.28 156.51 21.25 Favored Glycine 0 N--CA 1.445 -0.731 0 C-N-CA 120.537 -0.84 . . . . 0.0 111.607 177.738 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.562 ' HD2' ' SD ' ' A' ' 46' ' ' MET . 50.1 Cg_endo -68.58 176.69 5.52 Favored 'Trans proline' 0 N--CA 1.464 -0.215 0 C-N-CA 122.592 2.195 . . . . 0.0 111.746 176.638 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.415 ' HB ' HG22 ' A' ' 72' ' ' VAL . 19.3 pt -47.71 -44.67 10.61 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.528 0 N-CA-C 113.772 1.027 . . . . 0.0 113.772 -171.461 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.46 ' HA ' HD13 ' A' ' 80' ' ' ILE . 99.8 mtt180 -67.23 -41.99 84.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.048 0.452 . . . . 0.0 110.804 -178.722 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . 0.576 ' O ' HG13 ' A' ' 50' ' ' ILE . 56.3 mtt -68.02 -27.33 66.45 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.788 176.59 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.524 HG23 ' O ' ' A' ' 43' ' ' PRO . 90.3 t -59.38 -49.73 82.45 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.177 0 N-CA-C 110.148 -0.316 . . . . 0.0 110.148 175.859 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 11.2 mp -64.04 -32.5 74.07 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.035 177.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -67.79 -48.97 64.82 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.133 176.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.576 HG13 ' O ' ' A' ' 46' ' ' MET . 57.0 mt -65.9 -31.53 54.11 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-O 121.309 0.576 . . . . 0.0 109.83 177.792 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 15.8 tp -59.25 -53.8 54.17 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.474 -0.784 . . . . 0.0 110.255 175.019 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.55 -38.05 80.06 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-O 121.008 0.432 . . . . 0.0 110.577 178.733 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.411 ' HB3' ' O ' ' A' ' 50' ' ' ILE . 87.2 t80 -55.39 -60.7 3.04 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.53 -0.759 . . . . 0.0 109.412 174.58 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.524 HD13 ' H ' ' A' ' 62' ' ' SER . 64.4 mt -72.41 -0.43 12.48 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.777 -178.579 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 20.6 tpt180 -90.33 -35.28 15.33 Favored 'General case' 0 N--CA 1.427 -1.581 0 CA-C-O 121.044 0.45 . . . . 0.0 110.118 177.154 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 57.9 m-85 -110.79 -22.9 11.33 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 112.439 0.533 . . . . 0.0 112.439 -176.572 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . 0.514 ' HA ' ' HG2' ' B' ' 46' ' ' MET . 35.0 p -96.27 -5.88 39.21 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.376 0.608 . . . . 0.0 110.707 -179.817 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -140.97 167.75 21.43 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.514 -0.766 . . . . 0.0 110.442 -174.738 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.453 HD12 ' N ' ' A' ' 59' ' ' ILE . 4.2 mp -90.67 -25.38 5.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-O 121.932 0.873 . . . . 0.0 110.201 -176.48 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -148.26 124.06 5.24 Favored Pre-proline 0 C--N 1.306 -1.317 0 CA-C-N 114.509 -1.223 . . . . 0.0 110.55 -179.719 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . 0.425 ' HB2' HD11 ' A' ' 66' ' ' ILE . 30.2 Cg_exo -62.22 139.66 79.05 Favored 'Trans proline' 0 C--O 1.233 0.249 0 C-N-CA 122.674 2.249 . . . . 0.0 111.921 175.623 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.524 ' H ' HD13 ' A' ' 54' ' ' LEU . 46.7 t -61.79 137.68 58.27 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.966 -179.102 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 95.1 mt -65.62 -20.73 66.42 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.456 -0.793 . . . . 0.0 111.596 -175.51 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -63.09 -45.33 95.7 Favored Glycine 0 N--CA 1.449 -0.462 0 C-N-CA 120.422 -0.894 . . . . 0.0 111.116 174.432 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.537 ' O ' ' HB2' ' A' ' 69' ' ' TRP . 4.0 mm? -70.75 -30.03 66.44 Favored 'General case' 0 C--O 1.22 -0.465 0 N-CA-C 110.129 -0.322 . . . . 0.0 110.129 177.297 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.425 HD11 ' HB2' ' A' ' 61' ' ' PRO . 47.3 mm -70.19 -30.95 45.59 Favored 'Isoleucine or valine' 0 C--O 1.235 0.342 0 CA-C-O 121.249 0.547 . . . . 0.0 110.542 177.561 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 44.5 t30 -70.76 -43.06 69.58 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.4 177.456 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 39.2 ttm180 -86.44 -7.08 58.71 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.697 0.761 . . . . 0.0 109.917 -178.328 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' TRP . . . . . 0.581 ' NE1' HD11 ' B' ' 95' ' ' ILE . 7.2 t90 -59.8 -44.56 93.92 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 114.601 -1.182 . . . . 0.0 110.048 177.279 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -80.7 -10.83 84.69 Favored Glycine 0 N--CA 1.449 -0.492 0 CA-C-N 115.575 -0.738 . . . . 0.0 112.315 178.419 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 47.7 t -69.49 -16.96 63.56 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.101 0.477 . . . . 0.0 109.995 178.928 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.416 ' C ' ' H ' ' A' ' 74' ' ' LYS . 12.1 t -74.54 135.23 27.84 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.538 0 N-CA-C 108.923 -0.769 . . . . 0.0 108.923 174.231 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . 0.581 ' O ' ' HG2' ' A' ' 74' ' ' LYS . . . -72.43 19.27 1.13 Allowed Glycine 0 CA--C 1.524 0.598 0 C-N-CA 121.321 -0.466 . . . . 0.0 114.234 -173.493 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.581 ' HG2' ' O ' ' A' ' 73' ' ' GLY . 9.4 ptpp? 61.29 -44.28 0.13 Allowed 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 125.734 1.614 . . . . 0.0 113.81 178.548 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 21.3 tptm -67.75 -42.89 81.07 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 118.669 0.668 . . . . 0.0 109.483 175.537 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.582 ' O ' HG13 ' A' ' 80' ' ' ILE . 20.5 tp10 -59.1 -40.08 84.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.711 -0.677 . . . . 0.0 109.522 174.234 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.532 ' O ' HG12 ' A' ' 81' ' ' ILE . . . -60.85 -39.98 91.16 Favored 'General case' 0 N--CA 1.454 -0.241 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.636 179.762 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . 0.515 ' HG3' ' O ' ' A' ' 74' ' ' LYS . 90.6 mtp -59.62 -42.24 92.22 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-O 121.023 0.439 . . . . 0.0 110.096 177.932 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 24.7 mt-10 -67.72 -43.15 80.69 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.749 177.843 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.582 HG13 ' O ' ' A' ' 76' ' ' GLU . 78.2 mt -59.42 -46.52 92.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.682 178.257 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.532 HG12 ' O ' ' A' ' 77' ' ' ALA . 41.3 mm -62.29 -40.14 86.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.107 -179.87 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 8.2 ttpm? -64.05 -41.77 97.26 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-O 121.051 0.453 . . . . 0.0 110.102 177.672 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 27.3 mtpp -62.11 -46.8 87.43 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.515 175.25 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . 0.493 ' O ' ' HG ' ' A' ' 88' ' ' LEU . 0.8 OUTLIER -56.55 -51.46 68.49 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.216 -0.902 . . . . 0.0 110.8 -178.611 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -61.59 -36.65 81.3 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.244 -179.109 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . 0.423 ' HB3' ' NZ ' ' A' ' 86' ' ' LYS . 5.1 ttpm? -63.31 -48.38 78.3 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.338 179.025 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -64.26 -37.82 88.84 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.568 -179.805 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.493 ' HG ' ' O ' ' A' ' 84' ' ' PHE . 91.1 mt -60.46 -45.58 93.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.394 176.356 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -62.12 -43.91 97.8 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.864 179.199 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . 0.5 ' O ' HG13 ' A' ' 94' ' ' ILE . . . -63.76 -47.23 81.82 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.176 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 72.7 mtm -66.59 -33.79 76.46 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.011 -178.451 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.464 ' HB2' HG13 ' B' ' 81' ' ' ILE . 55.4 tp -60.73 -45.73 93.14 Favored 'General case' 0 C--O 1.238 0.479 0 CA-C-O 121.505 0.669 . . . . 0.0 110.411 174.882 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 98.2 mtt180 -61.4 -32.22 72.15 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.358 -0.837 . . . . 0.0 110.61 179.101 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 0.5 HG13 ' O ' ' A' ' 90' ' ' ALA . 64.5 mt -68.73 -36.24 73.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.516 -0.311 . . . . 0.0 110.966 177.463 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.598 HD11 ' NE1' ' B' ' 69' ' ' TRP . 19.1 mm -56.37 -48.54 79.7 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.266 0 CA-C-O 121.62 0.724 . . . . 0.0 109.654 175.617 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 9.8 t30 -76.29 -21.31 56.42 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.307 -0.861 . . . . 0.0 111.132 -178.698 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -70.92 -41.85 70.67 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 120.938 0.399 . . . . 0.0 111.015 179.193 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . 0.412 ' C ' ' H ' ' A' ' 100' ' ' GLU . 13.6 ptm180 -76.1 -34.83 59.51 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.575 -173.024 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 36.7 mtmm 63.57 -2.95 0.45 Allowed 'General case' 0 N--CA 1.47 0.565 0 CA-C-N 115.858 -0.61 . . . . 0.0 112.293 174.574 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . 0.412 ' H ' ' C ' ' A' ' 98' ' ' ARG . 5.7 mm-40 55.9 38.02 29.53 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.66 -0.7 . . . . 0.0 111.895 -176.052 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 4.2 mptp? 56.53 54.2 7.72 Favored 'General case' 0 C--O 1.236 0.393 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.535 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . 0.405 ' HD2' ' HA ' ' A' ' 102' ' ' LYS . 21.6 tptm -78.87 57.69 2.19 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.796 0.808 . . . . 0.0 109.873 -178.757 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 19.8 ptt180 -123.17 8.2 9.17 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.064 -0.971 . . . . 0.0 109.348 178.75 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 93.9 mtt180 . . . . . 0 C--O 1.249 1.07 0 CA-C-N 114.842 -1.072 . . . . 0.0 110.854 -179.332 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 0.903 0 CA-C-O 120.806 0.336 . . . . 0.0 110.538 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 36' ' ' GLY . . . . . . . . . . . . . . . -59.95 -27.46 64.63 Favored Glycine 0 C--O 1.226 -0.372 0 C-N-CA 121.304 -0.474 . . . . 0.0 112.608 -179.476 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 59.1 tp -62.84 -32.37 73.58 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 120.932 0.396 . . . . 0.0 111.241 178.096 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 91.5 mt -96.01 -29.55 14.07 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.534 -0.303 . . . . 0.0 111.313 -176.222 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -91.58 -27.35 18.23 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.774 -176.757 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . 98.53 -3.76 59.57 Favored Glycine 0 N--CA 1.45 -0.385 0 N-CA-C 111.234 -0.746 . . . . 0.0 111.234 -174.756 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 41' ' ' HIS . . . . . . . . . . . . . 35.1 t60 -84.5 67.3 9.88 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.198 0.523 . . . . 0.0 109.877 179.714 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 42' ' ' GLY . . . . . . . . . . . . . . . -96.7 155.83 20.92 Favored Glycine 0 N--CA 1.445 -0.763 0 C-N-CA 120.69 -0.767 . . . . 0.0 111.612 177.642 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 43' ' ' PRO . . . . . 0.559 ' HD2' ' SD ' ' B' ' 46' ' ' MET . 48.5 Cg_endo -68.12 176.77 5.06 Favored 'Trans proline' 0 CA--C 1.529 0.258 0 C-N-CA 122.584 2.189 . . . . 0.0 111.663 177.131 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . 0.42 ' HB ' HG22 ' B' ' 72' ' ' VAL . 19.6 pt -47.68 -44.67 10.48 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.51 0 N-CA-C 113.908 1.077 . . . . 0.0 113.908 -171.559 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 45' ' ' ARG . . . . . 0.46 ' HA ' HD13 ' B' ' 80' ' ' ILE . 99.8 mtt180 -67.21 -42.1 84.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.083 0.468 . . . . 0.0 110.854 -178.825 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 46' ' ' MET . . . . . 0.572 ' O ' HG13 ' B' ' 50' ' ' ILE . 56.6 mtt -67.92 -27.21 66.43 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.847 176.484 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 47' ' ' VAL . . . . . 0.522 HG23 ' O ' ' B' ' 43' ' ' PRO . 89.5 t -59.57 -49.59 83.12 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.191 0 N-CA-C 110.189 -0.3 . . . . 0.0 110.189 175.83 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 11.2 mp -64.16 -32.35 73.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.085 177.908 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -67.87 -49.04 64.32 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.8 0.333 . . . . 0.0 111.124 176.854 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 50' ' ' ILE . . . . . 0.572 HG13 ' O ' ' B' ' 46' ' ' MET . 57.1 mt -65.88 -31.45 53.79 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-O 121.254 0.549 . . . . 0.0 109.815 177.778 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 15.8 tp -59.26 -53.68 55.46 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.481 -0.781 . . . . 0.0 110.286 174.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.69 -38.02 80.4 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-O 121.046 0.451 . . . . 0.0 110.591 178.705 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 53' ' ' PHE . . . . . 0.409 ' HB3' ' O ' ' B' ' 50' ' ' ILE . 86.5 t80 -55.34 -60.85 2.84 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.521 -0.763 . . . . 0.0 109.43 174.514 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 54' ' ' LEU . . . . . 0.519 HD13 ' H ' ' B' ' 62' ' ' SER . 64.5 mt -72.37 -0.33 12.12 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.823 -178.613 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 55' ' ' ARG . . . . . . . . . . . . . 20.7 tpt180 -90.33 -35.55 15.17 Favored 'General case' 0 N--CA 1.426 -1.632 0 CA-C-O 121.121 0.486 . . . . 0.0 110.085 177.013 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 56' ' ' PHE . . . . . . . . . . . . . 57.9 m-85 -110.38 -23.11 11.36 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 112.402 0.519 . . . . 0.0 112.402 -176.554 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 57' ' ' THR . . . . . 0.522 ' HA ' ' HG2' ' A' ' 46' ' ' MET . 34.6 p -96.19 -5.84 39.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.35 0.595 . . . . 0.0 110.679 -179.746 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -141.02 167.35 22.41 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.617 -0.72 . . . . 0.0 110.43 -174.727 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 59' ' ' ILE . . . . . 0.449 ' N ' HD12 ' B' ' 59' ' ' ILE . 4.2 mp -90.39 -25.47 5.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-O 121.781 0.801 . . . . 0.0 110.153 -176.465 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -148.26 124.05 5.23 Favored Pre-proline 0 C--N 1.306 -1.3 0 CA-C-N 114.63 -1.168 . . . . 0.0 110.54 -179.765 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 61' ' ' PRO . . . . . 0.427 ' HB2' HD11 ' B' ' 66' ' ' ILE . 29.7 Cg_exo -62.53 139.38 75.82 Favored 'Trans proline' 0 C--O 1.236 0.395 0 C-N-CA 122.685 2.257 . . . . 0.0 111.799 175.749 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 62' ' ' SER . . . . . 0.519 ' H ' HD13 ' B' ' 54' ' ' LEU . 48.2 t -61.48 138.06 58.26 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.662 -0.699 . . . . 0.0 111.024 -179.024 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 95.7 mt -66.26 -20.13 66.02 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 115.526 -0.761 . . . . 0.0 111.505 -175.232 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -63.6 -45.22 95.14 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.414 -0.898 . . . . 0.0 111.119 174.311 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 65' ' ' LEU . . . . . 0.53 ' O ' ' HB2' ' B' ' 69' ' ' TRP . 4.0 mm? -70.64 -30.15 66.7 Favored 'General case' 0 C--O 1.22 -0.45 0 N-CA-C 110.149 -0.315 . . . . 0.0 110.149 177.166 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 66' ' ' ILE . . . . . 0.427 HD11 ' HB2' ' B' ' 61' ' ' PRO . 47.3 mm -69.82 -31.24 47.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 121.309 0.576 . . . . 0.0 110.57 177.559 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 67' ' ' ASN . . . . . . . . . . . . . 43.4 t30 -70.5 -43.42 69.72 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.281 177.738 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 68' ' ' ARG . . . . . . . . . . . . . 39.3 ttm180 -86.21 -7.1 58.79 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.651 0.739 . . . . 0.0 109.961 -178.233 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 69' ' ' TRP . . . . . 0.598 ' NE1' HD11 ' A' ' 95' ' ' ILE . 7.2 t90 -59.79 -44.62 93.86 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 114.657 -1.156 . . . . 0.0 110.065 177.233 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . -80.62 -10.85 84.72 Favored Glycine 0 N--CA 1.448 -0.501 0 CA-C-N 115.613 -0.721 . . . . 0.0 112.258 178.419 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 71' ' ' SER . . . . . . . . . . . . . 48.0 t -69.53 -17.18 63.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.113 0.482 . . . . 0.0 109.868 179.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 72' ' ' VAL . . . . . 0.42 HG22 ' HB ' ' B' ' 44' ' ' ILE . 12.1 t -74.23 135.62 27.05 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.593 0 N-CA-C 108.926 -0.768 . . . . 0.0 108.926 174.27 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 73' ' ' GLY . . . . . 0.573 ' O ' ' HG2' ' B' ' 74' ' ' LYS . . . -72.86 19.49 1.21 Allowed Glycine 0 CA--C 1.523 0.55 0 CA-C-O 119.643 -0.532 . . . . 0.0 114.135 -173.411 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 74' ' ' LYS . . . . . 0.573 ' HG2' ' O ' ' B' ' 73' ' ' GLY . 9.4 ptpp? 61.24 -44.46 0.13 Allowed 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 125.74 1.616 . . . . 0.0 113.8 178.46 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 75' ' ' LYS . . . . . . . . . . . . . 21.4 tptm -67.7 -42.85 81.38 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 118.612 0.642 . . . . 0.0 109.51 175.56 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 76' ' ' GLU . . . . . 0.566 ' O ' HG13 ' B' ' 80' ' ' ILE . 20.9 tp10 -59.18 -40.06 84.48 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.629 -0.714 . . . . 0.0 109.609 174.211 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 77' ' ' ALA . . . . . 0.533 ' O ' HG12 ' B' ' 81' ' ' ILE . . . -60.76 -40.03 90.99 Favored 'General case' 0 N--CA 1.454 -0.226 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.668 179.693 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 78' ' ' MET . . . . . 0.519 ' HG3' ' O ' ' B' ' 74' ' ' LYS . 90.4 mtp -59.57 -42.18 91.87 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-O 121.102 0.477 . . . . 0.0 110.08 178.065 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 79' ' ' GLU . . . . . . . . . . . . . 23.9 mt-10 -67.55 -43.76 79.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.639 -0.71 . . . . 0.0 110.744 177.839 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 80' ' ' ILE . . . . . 0.566 HG13 ' O ' ' B' ' 76' ' ' GLU . 78.6 mt -59.08 -46.55 91.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.679 178.286 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 81' ' ' ILE . . . . . 0.533 HG12 ' O ' ' B' ' 77' ' ' ALA . 41.6 mm -62.19 -40.09 86.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.113 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 82' ' ' LYS . . . . . . . . . . . . . 8.2 ttpm? -64.13 -41.87 97.04 Favored 'General case' 0 C--O 1.235 0.333 0 CA-C-O 120.981 0.42 . . . . 0.0 110.021 177.918 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 83' ' ' LYS . . . . . . . . . . . . . 27.3 mtpp -61.98 -46.93 87.09 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.556 175.187 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 84' ' ' PHE . . . . . 0.498 ' O ' ' HG ' ' B' ' 88' ' ' LEU . 0.8 OUTLIER -56.5 -51.41 68.62 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.252 -0.886 . . . . 0.0 110.807 -178.663 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 85' ' ' LYS . . . . . 0.406 ' HE3' ' CG2' ' B' ' 81' ' ' ILE . 98.9 mttt -61.61 -36.72 81.54 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.223 -179.117 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 86' ' ' LYS . . . . . 0.43 ' NZ ' ' HB3' ' B' ' 86' ' ' LYS . 5.1 ttpm? -63.2 -48.63 77.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.051 0.453 . . . . 0.0 110.385 178.872 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 87' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -63.99 -38.0 89.46 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.705 -0.68 . . . . 0.0 110.577 -179.871 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 88' ' ' LEU . . . . . 0.498 ' HG ' ' O ' ' B' ' 84' ' ' PHE . 91.2 mt -60.47 -45.35 94.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.487 176.389 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 89' ' ' ALA . . . . . 0.4 ' O ' ' HG3' ' B' ' 93' ' ' ARG . . . -62.13 -44.09 97.39 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.868 179.212 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 90' ' ' ALA . . . . . 0.497 ' O ' HG13 ' B' ' 94' ' ' ILE . . . -63.87 -47.17 81.72 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.15 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 91' ' ' MET . . . . . . . . . . . . . 72.8 mtm -66.41 -33.88 76.7 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.12 -178.627 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 92' ' ' LEU . . . . . 0.469 ' HB2' HG13 ' A' ' 81' ' ' ILE . 55.6 tp -60.67 -45.76 92.92 Favored 'General case' 0 C--O 1.238 0.474 0 CA-C-O 121.464 0.65 . . . . 0.0 110.444 174.807 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 93' ' ' ARG . . . . . 0.4 ' HG3' ' O ' ' B' ' 89' ' ' ALA . 98.1 mtt180 -61.34 -32.28 72.17 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.398 -0.819 . . . . 0.0 110.503 179.147 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 94' ' ' ILE . . . . . 0.497 HG13 ' O ' ' B' ' 90' ' ' ALA . 64.2 mt -68.71 -36.33 73.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.595 -0.275 . . . . 0.0 110.921 177.515 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 95' ' ' ILE . . . . . 0.581 HD11 ' NE1' ' A' ' 69' ' ' TRP . 19.0 mm -56.43 -48.55 79.84 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.268 0 CA-C-O 121.549 0.69 . . . . 0.0 109.588 175.648 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 96' ' ' ASN . . . . . . . . . . . . . 9.9 t30 -76.36 -21.18 56.42 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.41 -0.814 . . . . 0.0 111.129 -178.673 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 97' ' ' ALA . . . . . . . . . . . . . . . -70.9 -41.84 70.73 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.098 0.475 . . . . 0.0 111.109 179.063 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 98' ' ' ARG . . . . . 0.413 ' C ' ' H ' ' B' ' 100' ' ' GLU . 13.6 ptm180 -75.93 -35.21 59.82 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.604 -173.021 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 99' ' ' LYS . . . . . . . . . . . . . 36.7 mtmm 63.76 -2.35 0.53 Allowed 'General case' 0 N--CA 1.471 0.591 0 CA-C-N 115.658 -0.701 . . . . 0.0 112.195 174.682 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 100' ' ' GLU . . . . . 0.424 ' OE2' ' HA ' ' B' ' 100' ' ' GLU . 5.7 mm-40 55.43 38.21 29.96 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.65 -0.704 . . . . 0.0 111.926 -176.187 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 101' ' ' LYS . . . . . . . . . . . . . 4.2 mptp? 56.44 54.19 7.83 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-N 115.681 -0.691 . . . . 0.0 110.562 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 102' ' ' LYS . . . . . . . . . . . . . 21.7 tptm -78.94 57.46 2.16 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.732 0.777 . . . . 0.0 109.928 -178.585 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 103' ' ' ARG . . . . . . . . . . . . . 19.4 ptt180 -123.15 8.26 9.19 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.044 -0.98 . . . . 0.0 109.339 178.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 104' ' ' ARG . . . . . . . . . . . . . 94.2 mtt180 . . . . . 0 C--O 1.25 1.08 0 CA-C-N 114.932 -1.031 . . . . 0.0 110.754 -179.413 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.08 0 CA-C-O 120.968 0.413 . . . . 0.0 110.747 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -59.71 -28.12 65.02 Favored Glycine 0 C--O 1.225 -0.456 0 CA-C-N 115.913 -0.585 . . . . 0.0 112.845 -177.136 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 27.7 tp -65.78 -23.62 66.76 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.019 0.438 . . . . 0.0 110.668 -179.371 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 83.6 mt -90.61 -37.33 13.87 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.498 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -77.54 -30.63 52.86 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.385 -0.37 . . . . 0.0 111.428 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 116.67 -1.85 20.05 Favored Glycine 0 N--CA 1.448 -0.517 0 C-N-CA 120.603 -0.808 . . . . 0.0 112.17 -178.811 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 12.4 p-80 54.56 130.78 0.0 OUTLIER 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 125.361 1.464 . . . . 0.0 113.873 178.358 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.48 ' H ' ' HD2' ' A' ' 43' ' ' PRO . . . -177.35 -42.93 0.06 OUTLIER Glycine 0 CA--C 1.523 0.592 0 CA-C-O 119.103 -0.832 . . . . 0.0 113.692 -173.085 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.48 ' HD2' ' H ' ' A' ' 42' ' ' GLY . 95.2 Cg_exo -47.79 157.18 1.06 Allowed 'Trans proline' 0 C--N 1.356 0.948 0 C-N-CA 122.709 2.273 . . . . 0.0 113.014 174.056 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.436 HD11 ' OE1' ' A' ' 76' ' ' GLU . 44.5 pt -54.53 -29.43 20.38 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.441 0 CA-C-N 115.184 -0.917 . . . . 0.0 113.075 -168.037 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 59.8 mtp180 -59.44 -48.56 81.17 Favored 'General case' 0 C--O 1.236 0.367 0 CA-C-O 121.436 0.636 . . . . 0.0 110.116 176.285 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . 0.61 ' O ' HG13 ' A' ' 50' ' ' ILE . 2.1 mpt? -69.83 -31.15 68.87 Favored 'General case' 0 C--O 1.217 -0.607 0 CA-C-N 115.374 -0.83 . . . . 0.0 110.414 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 62.6 t -59.42 -46.03 93.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-O 120.691 0.282 . . . . 0.0 110.74 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 11.1 mp -68.05 -36.28 79.62 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.769 178.253 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -65.97 -47.36 74.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.181 177.482 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.61 HG13 ' O ' ' A' ' 46' ' ' MET . 61.8 mt -66.34 -33.19 61.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 109.913 178.854 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.642 ' O ' ' HG2' ' A' ' 55' ' ' ARG . 10.3 tp -57.6 -55.98 27.79 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.906 -0.588 . . . . 0.0 109.79 174.852 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -55.74 -42.49 75.46 Favored 'General case' 0 C--O 1.232 0.178 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.468 178.865 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 73.0 t80 -53.2 -56.29 17.57 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.128 174.074 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 95.6 mt -73.14 -3.12 24.52 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 112.443 0.534 . . . . 0.0 112.443 -176.768 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.642 ' HG2' ' O ' ' A' ' 51' ' ' LEU . 37.2 mmt180 -96.02 -35.99 11.19 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.697 0.284 . . . . 0.0 110.991 175.387 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . 0.407 ' CZ ' ' HA ' ' B' ' 84' ' ' PHE . 86.4 m-85 -104.36 -13.73 16.01 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 111.968 0.359 . . . . 0.0 111.968 -175.799 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 16.7 p -109.61 -6.02 15.49 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.163 0.506 . . . . 0.0 109.997 175.773 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -147.55 -176.88 5.42 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.559 -0.746 . . . . 0.0 109.471 -178.153 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 46.9 mm -118.86 -21.62 4.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-O 121.762 0.791 . . . . 0.0 110.756 179.475 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 54.0 tptt -136.81 108.7 9.15 Favored Pre-proline 0 C--N 1.305 -1.33 0 CA-C-N 115.265 -0.879 . . . . 0.0 110.803 -178.443 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 16.8 Cg_exo -68.39 148.48 73.67 Favored 'Trans proline' 0 N--CA 1.462 -0.33 0 C-N-CA 122.67 2.247 . . . . 0.0 111.687 176.054 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 5.7 m -66.56 141.38 57.87 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.546 179.444 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 95.3 mt -62.8 -18.98 63.59 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.538 -0.756 . . . . 0.0 112.341 -173.573 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -63.48 -48.35 79.02 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.559 -0.829 . . . . 0.0 111.477 174.457 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -65.47 -40.41 93.13 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 109.811 -0.44 . . . . 0.0 109.811 177.93 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 49.5 mm -64.08 -37.75 80.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.852 179.434 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 3.1 t-20 -61.42 -43.05 99.55 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.688 178.671 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 34.2 ttm180 -83.42 -22.43 32.69 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.993 0.425 . . . . 0.0 110.451 -178.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' TRP . . . . . 0.726 ' NE1' HD11 ' B' ' 95' ' ' ILE . 17.6 t90 -56.08 -51.92 66.16 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.487 -0.778 . . . . 0.0 110.658 178.221 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -75.13 -0.54 61.27 Favored Glycine 0 CA--C 1.52 0.364 0 C-N-CA 120.813 -0.708 . . . . 0.0 112.489 179.325 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 30.5 t -99.98 -16.49 17.93 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.686 0.279 . . . . 0.0 110.249 179.329 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 60.7 t -60.78 133.35 26.46 Favored 'Isoleucine or valine' 0 C--O 1.235 0.33 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.567 178.087 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -62.36 119.91 19.69 Favored Glycine 0 N--CA 1.443 -0.879 0 N-CA-C 111.336 -0.705 . . . . 0.0 111.336 177.188 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.543 ' HE2' ' HA ' ' B' ' 96' ' ' ASN . 10.9 ptmm? -58.74 -24.75 62.11 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 112.109 0.411 . . . . 0.0 112.109 -175.506 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 50.6 tptt -70.23 -57.4 4.94 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.19 0.519 . . . . 0.0 110.251 175.248 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.475 ' O ' HG13 ' A' ' 80' ' ' ILE . 12.6 tt0 -67.48 -30.89 70.7 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.75 -177.429 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.535 ' O ' HG12 ' A' ' 81' ' ' ILE . . . -54.92 -44.46 74.24 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 109.994 -0.372 . . . . 0.0 109.994 174.945 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . 0.683 ' O ' ' HG2' ' A' ' 82' ' ' LYS . 62.1 mtt -64.38 -40.61 96.16 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.36 178.654 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -63.73 -42.06 97.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.905 178.721 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.475 HG13 ' O ' ' A' ' 76' ' ' GLU . 89.6 mt -62.44 -46.27 96.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.197 177.221 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.535 HG12 ' O ' ' A' ' 77' ' ' ALA . 42.7 mm -61.16 -36.33 71.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.224 179.843 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . 0.683 ' HG2' ' O ' ' A' ' 78' ' ' MET . 46.8 mmtm -58.02 -49.87 75.37 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-O 121.113 0.482 . . . . 0.0 110.067 175.642 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 59.4 mttp -66.01 -41.66 90.72 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.505 -179.527 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . 0.474 ' O ' ' HG ' ' A' ' 88' ' ' LEU . 1.3 t80 -56.73 -51.46 68.76 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.569 -178.484 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -63.63 -34.31 77.54 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.376 -179.773 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . 0.403 ' HG3' ' O ' ' A' ' 82' ' ' LYS . 62.6 mttp -68.83 -42.91 76.53 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.656 -0.247 . . . . 0.0 111.269 178.76 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . 0.593 ' O ' ' HG2' ' A' ' 91' ' ' MET . 1.3 m-20 -64.44 -40.77 96.36 Favored 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 110.253 -0.277 . . . . 0.0 110.253 177.594 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.474 ' HG ' ' O ' ' A' ' 84' ' ' PHE . 93.1 mt -58.45 -43.82 88.96 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.973 0.416 . . . . 0.0 110.327 176.631 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.49 ' O ' ' HG3' ' A' ' 93' ' ' ARG . . . -61.12 -44.54 97.18 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.661 -0.7 . . . . 0.0 110.881 179.552 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . 0.434 ' O ' HG13 ' A' ' 94' ' ' ILE . . . -62.37 -46.42 88.71 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.838 179.7 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' MET . . . . . 0.593 ' HG2' ' O ' ' A' ' 87' ' ' ASP . 23.6 mmt -62.81 -40.43 97.33 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.479 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 51.7 tp -59.82 -43.81 94.34 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.768 178.606 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . 0.49 ' HG3' ' O ' ' A' ' 89' ' ' ALA . 73.2 mtt180 -61.93 -34.38 75.99 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.987 -0.552 . . . . 0.0 110.43 178.37 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 0.567 ' O ' ' HG2' ' A' ' 98' ' ' ARG . 79.9 mt -69.61 -43.94 79.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.855 177.913 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.724 HD11 ' NE1' ' B' ' 69' ' ' TRP . 30.4 mm -56.84 -41.76 76.6 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.437 0 CA-C-O 121.504 0.669 . . . . 0.0 109.914 176.507 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' ASN . . . . . 0.533 ' HA ' ' HE2' ' B' ' 74' ' ' LYS . 7.2 t30 -65.29 -36.75 85.04 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 114.946 -1.024 . . . . 0.0 110.628 178.719 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -75.24 -24.64 57.69 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.775 -0.648 . . . . 0.0 111.293 -179.262 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . 0.584 ' NE ' ' HA ' ' A' ' 98' ' ' ARG . 2.8 mmp_? -71.53 -7.66 49.02 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 112.077 0.399 . . . . 0.0 112.077 -174.923 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . 0.427 ' HG3' ' HG2' ' A' ' 100' ' ' GLU . 23.4 tptm -82.62 -75.34 0.31 Allowed 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 109.687 -0.486 . . . . 0.0 109.687 174.108 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . 0.427 ' HG2' ' HG3' ' A' ' 99' ' ' LYS . 12.0 pt-20 -166.83 15.31 0.03 OUTLIER 'General case' 0 C--O 1.234 0.239 0 CA-C-O 120.656 0.265 . . . . 0.0 111.692 178.101 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 23.1 tptm -77.11 -61.28 2.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.725 0.297 . . . . 0.0 110.275 -177.855 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -122.19 132.37 54.41 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.158 0.504 . . . . 0.0 110.171 178.636 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 94.8 mtt180 -86.1 160.94 19.12 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.598 -175.83 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 12.1 ptm180 . . . . . 0 C--O 1.248 0.977 0 CA-C-O 118.483 -0.77 . . . . 0.0 110.608 -177.492 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.007 0 CA-C-O 121.054 0.454 . . . . 0.0 110.717 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 36' ' ' GLY . . . . . . . . . . . . . . . -59.69 -27.99 64.78 Favored Glycine 0 C--O 1.225 -0.431 0 CA-C-N 115.935 -0.575 . . . . 0.0 112.902 -177.323 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 27.6 tp -65.68 -23.89 66.88 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.148 0.499 . . . . 0.0 110.705 -179.521 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 83.2 mt -90.64 -36.64 14.27 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.603 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 39' ' ' LEU . . . . . 0.402 HD13 ' HA ' ' B' ' 39' ' ' LEU . 3.7 mm? -78.11 -30.85 49.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.472 179.611 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . 116.87 -1.84 19.71 Favored Glycine 0 N--CA 1.448 -0.554 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.147 -178.82 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 41' ' ' HIS . . . . . . . . . . . . . 12.0 p-80 54.76 130.8 0.0 OUTLIER 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 125.322 1.449 . . . . 0.0 113.818 178.329 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 42' ' ' GLY . . . . . 0.475 ' H ' ' HD2' ' B' ' 43' ' ' PRO . . . -177.3 -43.29 0.06 OUTLIER Glycine 0 CA--C 1.524 0.61 0 CA-C-O 119.06 -0.855 . . . . 0.0 113.651 -173.106 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 43' ' ' PRO . . . . . 0.475 ' HD2' ' H ' ' B' ' 42' ' ' GLY . 92.7 Cg_exo -47.74 157.43 0.97 Allowed 'Trans proline' 0 C--N 1.356 0.925 0 C-N-CA 122.816 2.344 . . . . 0.0 112.894 174.275 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . 0.466 HD11 ' OE1' ' B' ' 76' ' ' GLU . 44.3 pt -54.72 -29.24 20.78 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.451 0 CA-C-N 115.159 -0.928 . . . . 0.0 113.139 -167.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 59.8 mtp180 -59.59 -48.67 80.74 Favored 'General case' 0 C--O 1.236 0.37 0 CA-C-O 121.406 0.622 . . . . 0.0 110.151 176.324 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 46' ' ' MET . . . . . 0.611 ' O ' HG13 ' B' ' 50' ' ' ILE . 2.0 mpt? -69.58 -31.38 69.5 Favored 'General case' 0 C--O 1.218 -0.586 0 CA-C-N 115.35 -0.841 . . . . 0.0 110.435 179.859 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 47' ' ' VAL . . . . . . . . . . . . . 59.8 t -59.19 -46.18 92.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-O 120.712 0.291 . . . . 0.0 110.875 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 11.1 mp -67.96 -36.29 79.82 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.804 178.266 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -65.88 -47.35 75.13 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.221 177.398 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 50' ' ' ILE . . . . . 0.611 HG13 ' O ' ' B' ' 46' ' ' MET . 61.9 mt -66.5 -33.05 60.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.126 -0.488 . . . . 0.0 109.988 178.761 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 51' ' ' LEU . . . . . 0.657 ' O ' ' HG2' ' B' ' 55' ' ' ARG . 10.3 tp -57.68 -55.83 29.82 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.041 -0.527 . . . . 0.0 109.845 174.761 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -55.76 -42.59 75.7 Favored 'General case' 0 C--O 1.232 0.182 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.485 178.833 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 53' ' ' PHE . . . . . . . . . . . . . 72.2 t80 -53.25 -56.24 18.12 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.564 -0.744 . . . . 0.0 110.056 174.148 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 54' ' ' LEU . . . . . . . . . . . . . 95.6 mt -73.11 -3.27 25.35 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 112.451 0.537 . . . . 0.0 112.451 -176.855 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 55' ' ' ARG . . . . . 0.657 ' HG2' ' O ' ' B' ' 51' ' ' LEU . 37.0 mmt180 -95.93 -36.12 11.2 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.802 0.334 . . . . 0.0 110.957 175.363 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 56' ' ' PHE . . . . . 0.4 ' CZ ' ' HA ' ' A' ' 84' ' ' PHE . 86.1 m-85 -104.06 -13.84 16.13 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 111.943 0.349 . . . . 0.0 111.943 -175.709 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 57' ' ' THR . . . . . . . . . . . . . 16.9 p -109.58 -6.05 15.5 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.094 0.473 . . . . 0.0 110.074 175.845 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -147.56 -176.69 5.35 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.539 -0.755 . . . . 0.0 109.422 -178.131 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 59' ' ' ILE . . . . . . . . . . . . . 46.8 mm -119.06 -21.58 4.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-O 121.862 0.839 . . . . 0.0 110.885 179.661 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 53.9 tptt -137.05 108.68 8.96 Favored Pre-proline 0 C--N 1.306 -1.303 0 CA-C-N 115.056 -0.974 . . . . 0.0 110.797 -178.515 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 61' ' ' PRO . . . . . . . . . . . . . 16.6 Cg_exo -68.58 147.74 70.98 Favored 'Trans proline' 0 N--CA 1.463 -0.297 0 C-N-CA 122.85 2.366 . . . . 0.0 111.803 175.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 6.6 m -65.9 141.79 58.12 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.465 179.725 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 95.7 mt -63.34 -18.91 64.15 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.519 -0.764 . . . . 0.0 112.236 -173.548 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -63.31 -48.48 78.63 Favored Glycine 0 C--O 1.237 0.326 0 C-N-CA 120.537 -0.839 . . . . 0.0 111.442 174.281 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -65.37 -40.42 93.51 Favored 'General case' 0 C--O 1.222 -0.347 0 N-CA-C 109.928 -0.397 . . . . 0.0 109.928 177.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 66' ' ' ILE . . . . . . . . . . . . . 49.5 mm -64.11 -37.47 79.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.9 179.391 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 67' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 -61.57 -42.97 99.62 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.71 178.748 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 68' ' ' ARG . . . . . . . . . . . . . 34.2 ttm180 -83.58 -22.42 32.33 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.453 -178.836 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 69' ' ' TRP . . . . . 0.724 ' NE1' HD11 ' A' ' 95' ' ' ILE . 17.8 t90 -56.17 -51.78 66.74 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.488 -0.778 . . . . 0.0 110.631 178.19 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . -75.53 0.07 61.55 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.897 -0.668 . . . . 0.0 112.436 179.263 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 71' ' ' SER . . . . . . . . . . . . . 28.0 t -100.7 -16.09 17.49 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 110.247 -0.279 . . . . 0.0 110.247 179.132 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 72' ' ' VAL . . . . . . . . . . . . . 61.5 t -61.15 133.33 26.9 Favored 'Isoleucine or valine' 0 C--O 1.235 0.297 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.586 177.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 73' ' ' GLY . . . . . . . . . . . . . . . -62.21 119.55 18.34 Favored Glycine 0 N--CA 1.444 -0.824 0 N-CA-C 111.404 -0.678 . . . . 0.0 111.404 177.112 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 74' ' ' LYS . . . . . 0.533 ' HE2' ' HA ' ' A' ' 96' ' ' ASN . 10.9 ptmm? -58.28 -25.14 61.45 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 112.216 0.45 . . . . 0.0 112.216 -175.531 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 75' ' ' LYS . . . . . . . . . . . . . 50.9 tptt -69.7 -57.6 4.94 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.187 0.517 . . . . 0.0 110.314 175.181 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 76' ' ' GLU . . . . . 0.482 ' O ' HG13 ' B' ' 80' ' ' ILE . 13.3 tt0 -67.69 -30.53 70.07 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.723 -0.671 . . . . 0.0 110.754 -177.202 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 77' ' ' ALA . . . . . 0.526 ' O ' HG12 ' B' ' 81' ' ' ILE . . . -54.98 -44.78 74.74 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.88 0.372 . . . . 0.0 110.0 174.687 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 78' ' ' MET . . . . . 0.667 ' O ' ' HG2' ' B' ' 82' ' ' LYS . 62.5 mtt -64.05 -40.77 97.02 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.33 178.583 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 79' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -63.79 -41.79 97.87 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.953 178.93 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 80' ' ' ILE . . . . . 0.482 HG13 ' O ' ' B' ' 76' ' ' GLU . 89.9 mt -62.64 -45.97 97.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.22 177.259 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 81' ' ' ILE . . . . . 0.526 HG12 ' O ' ' B' ' 77' ' ' ALA . 42.3 mm -61.44 -36.36 72.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 115.907 -0.588 . . . . 0.0 111.145 179.894 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 82' ' ' LYS . . . . . 0.667 ' HG2' ' O ' ' B' ' 78' ' ' MET . 46.7 mmtm -57.92 -49.91 75.15 Favored 'General case' 0 C--O 1.232 0.152 0 CA-C-O 121.095 0.474 . . . . 0.0 110.101 175.567 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 83' ' ' LYS . . . . . . . . . . . . . 59.4 mttp -66.12 -41.44 90.51 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.551 -0.75 . . . . 0.0 110.628 -179.516 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 84' ' ' PHE . . . . . 0.479 ' O ' ' HG ' ' B' ' 88' ' ' LEU . 1.3 t80 -56.93 -51.37 69.42 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.582 -178.656 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 85' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -63.66 -34.45 77.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.291 -179.748 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 86' ' ' LYS . . . . . . . . . . . . . 62.5 mttp -68.78 -43.0 76.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.565 -0.289 . . . . 0.0 111.303 178.902 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 87' ' ' ASP . . . . . 0.592 ' O ' ' HG2' ' B' ' 91' ' ' MET . 1.2 m-20 -64.26 -40.76 96.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.597 0.237 . . . . 0.0 110.452 177.436 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 88' ' ' LEU . . . . . 0.479 ' HG ' ' O ' ' B' ' 84' ' ' PHE . 92.9 mt -58.36 -43.81 88.54 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 121.004 0.43 . . . . 0.0 110.302 176.557 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 89' ' ' ALA . . . . . 0.485 ' O ' ' HG3' ' B' ' 93' ' ' ARG . . . -61.13 -44.84 96.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.907 179.58 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 90' ' ' ALA . . . . . 0.444 ' O ' HG13 ' B' ' 94' ' ' ILE . . . -62.11 -46.32 89.59 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.912 179.611 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 91' ' ' MET . . . . . 0.592 ' HG2' ' O ' ' B' ' 87' ' ' ASP . 23.6 mmt -62.83 -40.43 97.41 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.496 179.894 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 92' ' ' LEU . . . . . . . . . . . . . 51.7 tp -59.83 -43.72 94.44 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.803 178.496 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 93' ' ' ARG . . . . . 0.485 ' HG3' ' O ' ' B' ' 89' ' ' ALA . 73.3 mtt180 -62.1 -34.08 75.65 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.481 178.436 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 94' ' ' ILE . . . . . 0.563 ' O ' ' HG2' ' B' ' 98' ' ' ARG . 80.2 mt -69.96 -43.76 79.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.863 177.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 95' ' ' ILE . . . . . 0.726 HD11 ' NE1' ' A' ' 69' ' ' TRP . 30.4 mm -57.01 -41.64 77.76 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.412 0 CA-C-O 121.443 0.639 . . . . 0.0 109.875 176.478 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 96' ' ' ASN . . . . . 0.543 ' HA ' ' HE2' ' A' ' 74' ' ' LYS . 7.6 t30 -65.27 -36.95 85.7 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 114.967 -1.015 . . . . 0.0 110.529 178.736 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 97' ' ' ALA . . . . . . . . . . . . . . . -75.21 -24.46 57.76 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.815 -0.629 . . . . 0.0 111.418 -179.177 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 98' ' ' ARG . . . . . 0.583 ' HA ' ' NE ' ' B' ' 98' ' ' ARG . 2.8 mmp_? -71.73 -7.16 46.39 Favored 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 112.168 0.433 . . . . 0.0 112.168 -175.014 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 99' ' ' LYS . . . . . 0.437 ' HG3' ' HG2' ' B' ' 100' ' ' GLU . 23.4 tptm -83.11 -75.35 0.32 Allowed 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 109.7 -0.481 . . . . 0.0 109.7 174.011 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 100' ' ' GLU . . . . . 0.437 ' HG2' ' HG3' ' B' ' 99' ' ' LYS . 11.9 pt-20 -166.61 15.5 0.03 OUTLIER 'General case' 0 C--O 1.234 0.288 0 N-CA-C 111.728 0.27 . . . . 0.0 111.728 177.784 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 101' ' ' LYS . . . . . . . . . . . . . 23.1 tptm -77.07 -61.26 2.04 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.968 0.413 . . . . 0.0 110.324 -177.887 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 102' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -122.55 132.04 54.12 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.157 0.503 . . . . 0.0 110.258 178.85 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 103' ' ' ARG . . . . . . . . . . . . . 94.4 mtt180 -85.84 161.39 19.12 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 115.615 -0.721 . . . . 0.0 110.423 -175.36 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 104' ' ' ARG . . . . . . . . . . . . . 12.1 ptm180 . . . . . 0 C--O 1.249 1.053 0 CA-C-O 118.451 -0.785 . . . . 0.0 110.574 -177.026 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 0.987 0 N-CA-C 110.611 -0.144 . . . . 0.0 110.611 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -60.58 -27.36 65.99 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.796 -0.716 . . . . 0.0 113.411 -176.848 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 7.8 mp -57.98 -40.59 81.05 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.721 0.296 . . . . 0.0 111.312 -178.371 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 94.3 mt -90.63 -30.8 16.95 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.669 0.271 . . . . 0.0 111.24 -178.64 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -87.44 0.99 54.69 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.776 0.322 . . . . 0.0 111.602 -177.531 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 68.65 34.86 79.32 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 121.185 -0.531 . . . . 0.0 112.298 177.85 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 33.1 m170 -119.18 109.23 15.62 Favored 'General case' 0 C--N 1.322 -0.587 0 N-CA-C 110.181 -0.303 . . . . 0.0 110.181 -177.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -107.39 116.76 5.03 Favored Glycine 0 N--CA 1.444 -0.769 0 C-N-CA 120.559 -0.829 . . . . 0.0 112.23 -179.624 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.472 ' HD2' ' SD ' ' A' ' 46' ' ' MET . 32.5 Cg_exo -59.91 170.36 3.78 Favored 'Trans proline' 0 C--N 1.344 0.341 0 C-N-CA 122.925 2.417 . . . . 0.0 111.467 173.75 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 20.7 pt -49.49 -41.44 15.69 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.511 0 N-CA-C 113.075 0.768 . . . . 0.0 113.075 -172.069 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.539 ' HA ' HD13 ' A' ' 80' ' ' ILE . 97.9 mtt180 -62.26 -42.77 99.63 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 121.193 0.521 . . . . 0.0 110.765 178.375 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . 0.565 ' O ' HG13 ' A' ' 50' ' ' ILE . 61.6 mtt -76.88 -20.85 55.78 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.012 179.375 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.448 HG23 ' O ' ' A' ' 43' ' ' PRO . 80.0 t -60.01 -48.76 86.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 N-CA-C 109.644 -0.502 . . . . 0.0 109.644 173.531 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 11.0 mp -65.59 -35.81 81.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.632 176.345 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -62.27 -50.77 70.37 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.86 0.362 . . . . 0.0 111.17 177.149 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.565 HG13 ' O ' ' A' ' 46' ' ' MET . 61.5 mt -66.51 -33.16 61.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-O 121.181 0.515 . . . . 0.0 110.151 178.388 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.547 ' O ' ' HG2' ' A' ' 55' ' ' ARG . 10.3 tp -61.9 -52.99 61.84 Favored 'General case' 0 N--CA 1.45 -0.427 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.188 178.678 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -56.41 -40.37 74.59 Favored 'General case' 0 CA--C 1.517 -0.318 0 O-C-N 123.298 0.374 . . . . 0.0 110.761 179.086 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.495 ' HB3' ' O ' ' A' ' 50' ' ' ILE . 55.2 t80 -50.69 -59.57 3.94 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.522 -0.763 . . . . 0.0 109.447 173.359 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.534 HD13 ' H ' ' A' ' 62' ' ' SER . 85.1 mt -65.86 -23.87 66.75 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.002 -0.545 . . . . 0.0 112.03 -178.04 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.547 ' HG2' ' O ' ' A' ' 51' ' ' LEU . 27.3 mmm180 -70.07 -38.39 75.73 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.971 0.415 . . . . 0.0 111.423 179.265 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . 0.461 ' CZ ' ' HA ' ' B' ' 84' ' ' PHE . 65.7 m-85 -107.26 -7.66 16.67 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.171 -0.468 . . . . 0.0 112.125 -175.251 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 74.2 p -102.49 -21.06 14.28 Favored 'General case' 0 C--N 1.326 -0.43 0 C-N-CA 120.335 -0.546 . . . . 0.0 110.972 173.888 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -138.3 174.9 10.07 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 116.26 -0.427 . . . . 0.0 109.894 -178.508 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 11.0 tp -106.04 6.76 10.01 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-O 121.779 0.8 . . . . 0.0 110.219 179.326 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 85.4 tttt -155.58 116.2 2.29 Favored Pre-proline 0 C--N 1.323 -0.586 0 CA-C-N 115.163 -0.926 . . . . 0.0 110.905 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 8.0 Cg_exo -72.69 143.31 37.41 Favored 'Trans proline' 0 N--CA 1.46 -0.471 0 C-N-CA 122.682 2.255 . . . . 0.0 111.014 171.87 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.534 ' H ' HD13 ' A' ' 54' ' ' LEU . 4.7 m -64.45 141.31 58.82 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.125 0.488 . . . . 0.0 110.873 -178.05 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 88.2 mt -60.52 -26.67 67.04 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.142 -0.936 . . . . 0.0 112.227 -172.401 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -62.75 -47.89 85.5 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.831 -0.7 . . . . 0.0 111.627 176.531 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -63.13 -42.79 99.57 Favored 'General case' 0 C--O 1.221 -0.423 0 N-CA-C 110.013 -0.366 . . . . 0.0 110.013 177.333 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 37.3 mm -58.41 -41.88 82.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 121.144 0.497 . . . . 0.0 111.132 178.904 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 28.1 t-20 -63.9 -40.27 96.12 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.09 -179.043 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 64.6 ttt180 -83.08 -23.14 33.24 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.237 0.541 . . . . 0.0 110.296 -178.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' TRP . . . . . 0.63 ' NE1' HD11 ' B' ' 95' ' ' ILE . 25.1 t90 -60.83 -47.07 88.02 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.26 -0.882 . . . . 0.0 110.522 178.121 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -72.12 -6.17 63.95 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.879 -0.677 . . . . 0.0 112.344 176.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 40.1 t -95.09 -10.66 30.06 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.794 0.33 . . . . 0.0 110.121 178.707 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 77.0 t -69.84 130.71 34.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.432 179.062 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -64.72 127.79 34.23 Favored Glycine 0 N--CA 1.448 -0.527 0 N-CA-C 110.551 -1.019 . . . . 0.0 110.551 174.136 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.449 ' O ' ' HG3' ' A' ' 78' ' ' MET . 6.9 ptpp? -68.4 -20.85 64.7 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 117.062 0.431 . . . . 0.0 111.154 -172.189 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 56.8 tptt -64.09 -49.99 70.07 Favored 'General case' 0 C--O 1.236 0.373 0 N-CA-C 109.471 -0.566 . . . . 0.0 109.471 173.421 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.491 ' O ' HG13 ' A' ' 80' ' ' ILE . 22.5 tp10 -62.91 -44.08 97.05 Favored 'General case' 0 N--CA 1.453 -0.324 0 CA-C-N 115.55 -0.75 . . . . 0.0 109.537 176.852 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.523 ' O ' HG12 ' A' ' 81' ' ' ILE . . . -53.9 -46.04 71.28 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.793 -0.639 . . . . 0.0 111.096 178.708 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . 0.449 ' HG3' ' O ' ' A' ' 74' ' ' LYS . 66.5 mtt -59.34 -41.88 90.21 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.799 178.367 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -68.77 -37.05 79.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.753 179.566 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.539 HD13 ' HA ' ' A' ' 45' ' ' ARG . 86.6 mt -64.34 -51.43 68.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.516 177.189 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.523 HG12 ' O ' ' A' ' 77' ' ' ALA . 49.2 mm -59.42 -38.08 73.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.661 -179.76 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 62.5 tttp -59.58 -49.33 78.2 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.379 177.167 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 62.2 mttp -68.49 -36.3 78.73 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.934 179.493 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . 0.526 ' O ' ' HG ' ' A' ' 88' ' ' LEU . 0.3 OUTLIER -61.26 -53.66 54.03 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.394 -179.469 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 96.7 mttt -62.84 -33.78 75.97 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.977 -179.913 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 56.2 tttp -66.0 -45.27 82.18 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.483 178.144 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -66.49 -37.38 84.96 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.121 -178.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.526 ' HG ' ' O ' ' A' ' 84' ' ' PHE . 96.7 mt -64.63 -37.33 87.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.945 178.094 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -63.43 -44.31 94.94 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.952 0.406 . . . . 0.0 110.457 178.034 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . 0.505 ' O ' HG13 ' A' ' 94' ' ' ILE . . . -64.94 -43.23 93.4 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.135 176.505 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' MET . . . . . 0.499 ' O ' HG12 ' A' ' 95' ' ' ILE . 41.7 ttm -54.04 -48.44 70.54 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.257 -0.883 . . . . 0.0 110.53 178.163 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.427 ' HB2' HG13 ' B' ' 81' ' ' ILE . 50.1 tp -59.67 -44.1 93.72 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.38 -0.827 . . . . 0.0 111.281 179.694 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 83.9 mtp180 -61.5 -35.18 76.97 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.147 -179.048 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 0.575 ' O ' ' HG2' ' A' ' 98' ' ' ARG . 48.2 mt -75.9 -33.09 24.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 116.471 -0.331 . . . . 0.0 111.043 -179.308 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.623 HD11 ' NE1' ' B' ' 69' ' ' TRP . 13.6 mm -56.14 -44.4 78.83 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.317 0 CA-C-O 121.482 0.658 . . . . 0.0 109.295 173.788 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 28.3 t30 -63.18 -44.32 95.74 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 114.94 -1.027 . . . . 0.0 110.414 175.853 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -62.76 -24.78 67.88 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.969 -176.888 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . 0.575 ' HG2' ' O ' ' A' ' 94' ' ' ILE . 17.1 mmt180 -67.56 -20.07 65.35 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.495 -0.321 . . . . 0.0 111.143 -179.262 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 49.9 mmtm -112.51 -46.05 3.19 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.243 0.544 . . . . 0.0 110.009 174.137 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 5.7 tp10 64.22 9.83 5.09 Favored 'General case' 0 CA--C 1.532 0.28 0 CA-C-N 114.797 -1.092 . . . . 0.0 110.436 -178.723 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 75.7 mmtt -135.44 179.79 6.11 Favored 'General case' 0 N--CA 1.452 -0.353 0 CA-C-N 115.587 -0.733 . . . . 0.0 109.91 -179.63 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 64.8 mttp 63.84 110.29 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.234 0 O-C-N 124.02 0.825 . . . . 0.0 110.792 -176.414 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 22.2 mmt180 -59.64 104.68 0.3 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.673 -0.694 . . . . 0.0 111.23 -177.127 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 65.8 mtp180 . . . . . 0 C--O 1.25 1.129 0 CA-C-N 115.681 -0.691 . . . . 0.0 110.817 -179.725 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 0.899 0 N-CA-C 110.534 -0.172 . . . . 0.0 110.534 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 36' ' ' GLY . . . . . . . . . . . . . . . -61.4 -26.89 66.91 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.694 -0.765 . . . . 0.0 113.358 -176.787 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 7.8 mp -58.19 -40.11 80.67 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.711 0.291 . . . . 0.0 111.331 -178.444 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 94.8 mt -90.5 -31.72 16.65 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.751 0.31 . . . . 0.0 111.283 -178.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -86.72 0.84 53.89 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.759 0.314 . . . . 0.0 111.609 -177.309 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . 68.69 34.85 79.1 Favored Glycine 0 N--CA 1.453 -0.183 0 C-N-CA 121.173 -0.537 . . . . 0.0 112.375 177.921 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 41' ' ' HIS . . . . . . . . . . . . . 32.8 m170 -119.15 109.79 16.3 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 110.137 -0.32 . . . . 0.0 110.137 -177.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 42' ' ' GLY . . . . . . . . . . . . . . . -108.2 116.33 4.74 Favored Glycine 0 N--CA 1.443 -0.847 0 C-N-CA 120.581 -0.819 . . . . 0.0 112.144 -179.401 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 43' ' ' PRO . . . . . 0.47 ' HD2' ' SD ' ' B' ' 46' ' ' MET . 32.6 Cg_exo -59.88 170.42 3.69 Favored 'Trans proline' 0 C--N 1.344 0.329 0 C-N-CA 122.803 2.335 . . . . 0.0 111.517 173.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 20.7 pt -49.29 -41.44 14.81 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.575 0 N-CA-C 113.181 0.808 . . . . 0.0 113.181 -172.112 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 45' ' ' ARG . . . . . 0.531 ' HA ' HD13 ' B' ' 80' ' ' ILE . 98.1 mtt180 -62.48 -42.65 99.64 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 121.218 0.532 . . . . 0.0 110.684 178.524 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 46' ' ' MET . . . . . 0.567 ' O ' HG13 ' B' ' 50' ' ' ILE . 62.1 mtt -76.97 -20.94 55.49 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.907 -0.588 . . . . 0.0 111.011 179.396 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 47' ' ' VAL . . . . . 0.45 HG23 ' O ' ' B' ' 43' ' ' PRO . 77.8 t -59.9 -48.68 86.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 N-CA-C 109.685 -0.487 . . . . 0.0 109.685 173.527 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 11.0 mp -65.64 -35.81 81.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.676 176.225 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -62.26 -50.74 70.52 Favored 'General case' 0 CA--C 1.532 0.252 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.247 177.043 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 50' ' ' ILE . . . . . 0.567 HG13 ' O ' ' B' ' 46' ' ' MET . 61.5 mt -66.6 -33.26 62.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 121.123 0.487 . . . . 0.0 110.13 178.362 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 51' ' ' LEU . . . . . 0.557 ' O ' ' HG2' ' B' ' 55' ' ' ARG . 10.4 tp -61.68 -53.15 60.04 Favored 'General case' 0 N--CA 1.451 -0.412 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.186 178.53 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -56.46 -40.22 74.47 Favored 'General case' 0 N--CA 1.465 0.316 0 O-C-N 123.318 0.386 . . . . 0.0 110.753 179.151 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 53' ' ' PHE . . . . . 0.491 ' HB3' ' O ' ' B' ' 50' ' ' ILE . 55.7 t80 -50.85 -59.57 3.98 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.562 -0.744 . . . . 0.0 109.476 173.349 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 54' ' ' LEU . . . . . 0.529 HD13 ' H ' ' B' ' 62' ' ' SER . 84.9 mt -65.8 -23.87 66.8 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.029 -0.532 . . . . 0.0 112.059 -178.179 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 55' ' ' ARG . . . . . 0.557 ' HG2' ' O ' ' B' ' 51' ' ' LEU . 27.3 mmm180 -69.86 -38.76 76.55 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.886 0.374 . . . . 0.0 111.31 179.276 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 56' ' ' PHE . . . . . 0.453 ' CZ ' ' HA ' ' A' ' 84' ' ' PHE . 65.2 m-85 -107.05 -7.95 16.72 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 116.278 -0.419 . . . . 0.0 112.093 -175.088 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 57' ' ' THR . . . . . . . . . . . . . 74.1 p -102.21 -20.64 14.6 Favored 'General case' 0 C--N 1.327 -0.378 0 C-N-CA 120.285 -0.566 . . . . 0.0 111.037 173.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -138.75 174.82 10.12 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.052 -178.655 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 59' ' ' ILE . . . . . . . . . . . . . 10.9 tp -106.09 7.2 9.93 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-O 121.941 0.877 . . . . 0.0 110.328 179.332 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 85.6 tttt -155.92 116.43 2.23 Favored Pre-proline 0 C--N 1.321 -0.659 0 CA-C-N 115.024 -0.989 . . . . 0.0 110.939 179.667 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 61' ' ' PRO . . . . . . . . . . . . . 7.9 Cg_exo -72.97 143.2 36.05 Favored 'Trans proline' 0 N--CA 1.458 -0.563 0 C-N-CA 122.647 2.232 . . . . 0.0 110.977 171.73 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 62' ' ' SER . . . . . 0.529 ' H ' HD13 ' B' ' 54' ' ' LEU . 4.9 m -64.45 141.49 58.75 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.165 0.507 . . . . 0.0 110.881 -177.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 88.3 mt -60.53 -26.94 67.26 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.158 -0.928 . . . . 0.0 112.246 -172.458 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -62.39 -48.1 84.72 Favored Glycine 0 C--O 1.237 0.318 0 C-N-CA 120.644 -0.788 . . . . 0.0 111.696 176.451 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -62.89 -43.11 99.69 Favored 'General case' 0 C--O 1.22 -0.486 0 N-CA-C 109.961 -0.385 . . . . 0.0 109.961 177.401 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 66' ' ' ILE . . . . . . . . . . . . . 37.4 mm -58.15 -41.79 81.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.167 178.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 67' ' ' ASN . . . . . . . . . . . . . 28.3 t-20 -64.06 -39.81 94.9 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.176 -178.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 68' ' ' ARG . . . . . . . . . . . . . 64.3 ttt180 -83.52 -23.2 32.19 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.223 0.535 . . . . 0.0 110.287 -179.095 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 69' ' ' TRP . . . . . 0.623 ' NE1' HD11 ' A' ' 95' ' ' ILE . 25.1 t90 -60.74 -47.18 87.44 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.276 -0.875 . . . . 0.0 110.579 178.162 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . -71.9 -6.33 63.49 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.938 -0.649 . . . . 0.0 112.32 176.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 71' ' ' SER . . . . . . . . . . . . . 38.1 t -94.95 -10.62 30.52 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.845 0.355 . . . . 0.0 110.108 178.708 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 72' ' ' VAL . . . . . . . . . . . . . 81.0 t -69.94 130.42 34.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.479 179.285 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 73' ' ' GLY . . . . . . . . . . . . . . . -64.33 127.48 34.91 Favored Glycine 0 N--CA 1.448 -0.56 0 N-CA-C 110.52 -1.032 . . . . 0.0 110.52 174.167 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 74' ' ' LYS . . . . . 0.463 ' O ' ' HG3' ' B' ' 78' ' ' MET . 7.0 ptpp? -68.25 -20.68 64.82 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 117.116 0.458 . . . . 0.0 111.253 -172.246 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 75' ' ' LYS . . . . . . . . . . . . . 56.6 tptt -64.42 -50.0 69.3 Favored 'General case' 0 C--O 1.235 0.297 0 N-CA-C 109.381 -0.6 . . . . 0.0 109.381 173.415 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 76' ' ' GLU . . . . . 0.492 ' O ' HG13 ' B' ' 80' ' ' ILE . 22.3 tp10 -62.76 -44.15 96.94 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.524 -0.762 . . . . 0.0 109.532 176.744 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 77' ' ' ALA . . . . . 0.512 ' O ' HG12 ' B' ' 81' ' ' ILE . . . -53.82 -46.06 71.01 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.867 -0.606 . . . . 0.0 111.144 178.646 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 78' ' ' MET . . . . . 0.463 ' HG3' ' O ' ' B' ' 74' ' ' LYS . 66.8 mtt -59.23 -42.15 90.35 Favored 'General case' 0 C--O 1.233 0.205 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.748 178.34 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 79' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -68.62 -37.05 79.43 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.769 179.645 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 80' ' ' ILE . . . . . 0.531 HD13 ' HA ' ' B' ' 45' ' ' ARG . 86.4 mt -64.34 -51.47 67.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.627 177.088 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 81' ' ' ILE . . . . . 0.512 HG12 ' O ' ' B' ' 77' ' ' ALA . 49.3 mm -59.34 -38.18 73.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.751 -179.875 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 82' ' ' LYS . . . . . . . . . . . . . 62.3 tttp -59.44 -49.17 78.82 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.89 -0.596 . . . . 0.0 110.464 177.143 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 83' ' ' LYS . . . . . . . . . . . . . 61.9 mttp -68.66 -36.22 78.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.826 -0.624 . . . . 0.0 110.896 179.57 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 84' ' ' PHE . . . . . 0.533 ' O ' ' HG ' ' B' ' 88' ' ' LEU . 0.3 OUTLIER -61.43 -53.53 55.29 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.782 -0.644 . . . . 0.0 110.357 -179.526 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 85' ' ' LYS . . . . . . . . . . . . . 96.7 mttt -63.17 -33.46 75.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.918 -179.852 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 86' ' ' LYS . . . . . . . . . . . . . 56.1 tttp -66.17 -45.23 81.61 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.532 178.102 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 87' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -66.45 -37.54 85.38 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.122 -179.07 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 88' ' ' LEU . . . . . 0.533 ' HG ' ' O ' ' B' ' 84' ' ' PHE . 96.8 mt -64.51 -37.45 87.59 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.979 178.044 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -63.18 -44.06 96.46 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.999 0.428 . . . . 0.0 110.442 178.057 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 90' ' ' ALA . . . . . 0.512 ' O ' HG13 ' B' ' 94' ' ' ILE . . . -65.31 -43.28 91.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.139 176.665 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 91' ' ' MET . . . . . 0.503 ' O ' HG12 ' B' ' 95' ' ' ILE . 41.6 ttm -54.01 -48.45 70.45 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.179 -0.919 . . . . 0.0 110.496 178.152 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 92' ' ' LEU . . . . . 0.438 ' HB2' HG13 ' A' ' 81' ' ' ILE . 50.7 tp -59.76 -44.07 94.03 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.418 -0.81 . . . . 0.0 111.261 179.75 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 93' ' ' ARG . . . . . . . . . . . . . 83.8 mtp180 -61.87 -34.41 75.96 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.24 -178.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 94' ' ' ILE . . . . . 0.583 ' O ' ' HG2' ' B' ' 98' ' ' ARG . 48.6 mt -76.56 -32.8 21.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-N 116.491 -0.322 . . . . 0.0 111.022 -179.538 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 95' ' ' ILE . . . . . 0.63 HD11 ' NE1' ' A' ' 69' ' ' TRP . 13.7 mm -56.28 -44.9 80.82 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.309 0 N-CA-C 109.201 -0.666 . . . . 0.0 109.201 173.652 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 96' ' ' ASN . . . . . 0.423 ' OD1' ' HE2' ' A' ' 74' ' ' LYS . 28.9 t30 -62.7 -44.65 95.69 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.013 -0.994 . . . . 0.0 110.324 175.885 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 97' ' ' ALA . . . . . . . . . . . . . . . -62.18 -25.14 67.6 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.093 -0.503 . . . . 0.0 112.052 -176.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 98' ' ' ARG . . . . . 0.583 ' HG2' ' O ' ' B' ' 94' ' ' ILE . 16.7 mmt180 -67.26 -20.34 65.64 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.776 0.322 . . . . 0.0 111.161 -179.125 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 99' ' ' LYS . . . . . . . . . . . . . 50.0 mmtm -112.19 -46.18 3.22 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.126 0.488 . . . . 0.0 110.018 174.316 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 100' ' ' GLU . . . . . . . . . . . . . 5.5 tp10 63.93 10.28 5.17 Favored 'General case' 0 CA--C 1.531 0.217 0 CA-C-N 114.811 -1.086 . . . . 0.0 110.47 -178.591 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 101' ' ' LYS . . . . . . . . . . . . . 75.7 mmtt -135.73 179.94 6.03 Favored 'General case' 0 C--O 1.236 0.38 0 CA-C-N 115.564 -0.744 . . . . 0.0 109.885 -179.877 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 102' ' ' LYS . . . . . . . . . . . . . 64.9 mttp 63.75 110.02 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.199 0 O-C-N 124.074 0.859 . . . . 0.0 110.939 -176.147 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 103' ' ' ARG . . . . . . . . . . . . . 22.3 mmt180 -58.97 104.47 0.24 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.789 -0.641 . . . . 0.0 111.188 -177.387 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 104' ' ' ARG . . . . . . . . . . . . . 66.4 mtp180 . . . . . 0 C--O 1.249 1.039 0 O-C-N 123.658 0.599 . . . . 0.0 110.781 179.684 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.054 0 CA-C-O 120.893 0.378 . . . . 0.0 110.6 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -66.03 -24.79 71.87 Favored Glycine 0 N--CA 1.449 -0.451 0 C-N-CA 120.93 -0.652 . . . . 0.0 112.361 -177.685 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 47.2 tp -69.27 -23.73 63.88 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 120.947 0.403 . . . . 0.0 110.837 179.357 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 81.9 mt -100.81 -37.56 8.64 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.341 -0.391 . . . . 0.0 111.464 -176.389 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -92.02 -22.97 19.68 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 111.869 0.322 . . . . 0.0 111.869 -176.557 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 89.94 -7.13 82.26 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.673 -0.775 . . . . 0.0 111.631 -176.127 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 51.4 t60 -99.03 101.77 13.26 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 109.785 -0.45 . . . . 0.0 109.785 179.457 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -87.8 124.34 7.08 Favored Glycine 0 N--CA 1.443 -0.835 0 C-N-CA 120.642 -0.79 . . . . 0.0 112.025 -178.689 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.467 ' O ' HG23 ' A' ' 47' ' ' VAL . 22.5 Cg_exo -65.0 171.72 8.37 Favored 'Trans proline' 0 N--CA 1.462 -0.338 0 C-N-CA 122.387 2.058 . . . . 0.0 111.429 174.912 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.474 ' HB ' HG13 ' A' ' 72' ' ' VAL . 24.6 pt -53.55 -33.0 21.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-O 120.991 0.424 . . . . 0.0 111.522 -177.197 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.483 ' HA ' HD13 ' A' ' 80' ' ' ILE . 19.8 mtp180 -59.59 -46.43 88.96 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.038 177.782 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . 0.403 ' HG2' ' HA ' ' B' ' 57' ' ' THR . 84.2 mtp -77.55 -22.41 51.07 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.084 -178.299 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.467 HG23 ' O ' ' A' ' 43' ' ' PRO . 96.8 t -63.9 -41.62 93.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 N-CA-C 110.013 -0.366 . . . . 0.0 110.013 175.734 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 68.5 mt -71.8 -34.04 69.04 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.302 175.214 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -61.65 -50.58 71.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.051 177.75 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 15.4 tt -72.87 -25.63 22.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.587 -179.438 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.491 ' O ' ' HG2' ' A' ' 55' ' ' ARG . 12.9 tp -60.07 -58.24 9.37 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.083 175.778 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.442 ' O ' ' HD1' ' A' ' 56' ' ' PHE . . . -55.27 -42.95 74.24 Favored 'General case' 0 CA--C 1.516 -0.328 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.28 179.431 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.413 ' HB2' ' HB2' ' B' ' 53' ' ' PHE . 72.7 t80 -51.85 -59.65 4.07 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.273 175.248 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 95.1 mt -71.42 -6.68 42.11 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 112.505 0.557 . . . . 0.0 112.505 -175.545 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.499 HH11 ' HA ' ' A' ' 55' ' ' ARG . 10.4 mmm180 -98.24 -32.37 11.6 Favored 'General case' 0 C--N 1.327 -0.406 0 O-C-N 122.225 -0.297 . . . . 0.0 111.564 178.491 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . 0.442 ' HD1' ' O ' ' A' ' 52' ' ' ALA . 85.2 m-85 -96.98 -5.88 36.79 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 120.778 0.323 . . . . 0.0 110.958 179.189 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 70.3 p -100.59 -33.03 10.47 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.821 172.427 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -149.24 -179.59 7.16 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.816 -176.292 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.422 HD12 ' N ' ' A' ' 59' ' ' ILE . 4.1 mp -111.5 123.97 67.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.03 -179.644 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 88.8 tttt 63.75 99.52 0.04 OUTLIER Pre-proline 0 N--CA 1.466 0.365 0 O-C-N 123.721 0.638 . . . . 0.0 111.012 -178.473 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 36.1 Cg_exo -61.03 -66.59 0.06 OUTLIER 'Trans proline' 0 C--N 1.345 0.375 0 C-N-CA 123.246 2.631 . . . . 0.0 112.524 -178.274 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.524 ' O ' HG12 ' A' ' 66' ' ' ILE . 61.8 p 178.98 151.27 0.31 Allowed 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 108.867 -0.79 . . . . 0.0 108.867 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 83.6 mt -67.92 -20.51 65.09 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.574 -0.285 . . . . 0.0 110.893 -178.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -72.59 -46.35 32.12 Favored Glycine 0 N--CA 1.448 -0.505 0 C-N-CA 121.05 -0.595 . . . . 0.0 112.018 176.654 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -67.03 -40.39 87.2 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.661 0.267 . . . . 0.0 110.487 178.145 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.524 HG12 ' O ' ' A' ' 62' ' ' SER . 49.5 mm -65.72 -32.18 57.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 121.136 0.493 . . . . 0.0 110.599 178.749 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 49.8 t-20 -63.28 -45.68 90.29 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.92 -0.582 . . . . 0.0 109.802 176.2 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.413 HH11 HG21 ' A' ' 47' ' ' VAL . 22.4 ttt-85 -77.09 -22.78 52.24 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.271 0.557 . . . . 0.0 109.716 -178.275 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' TRP . . . . . 0.601 ' NE1' HD11 ' B' ' 95' ' ' ILE . 24.6 t90 -59.36 -44.58 92.67 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.149 -0.932 . . . . 0.0 110.482 176.762 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -74.51 -3.99 68.37 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.464 178.492 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 32.5 t -92.28 -17.32 24.92 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.843 0.354 . . . . 0.0 110.281 179.097 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.474 HG13 ' HB ' ' A' ' 44' ' ' ILE . 98.8 t -60.51 132.0 25.64 Favored 'Isoleucine or valine' 0 C--O 1.234 0.266 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.122 178.366 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -61.29 116.2 9.0 Favored Glycine 0 N--CA 1.442 -0.949 0 N-CA-C 110.471 -1.052 . . . . 0.0 110.471 175.677 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.582 ' O ' ' HG3' ' A' ' 78' ' ' MET . 4.9 ptpp? -62.65 -24.02 67.4 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.677 0.238 . . . . 0.0 111.497 -173.681 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 42.7 tptt -65.83 -50.06 65.97 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 109.719 -0.474 . . . . 0.0 109.719 171.762 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.448 ' O ' HG13 ' A' ' 80' ' ' ILE . 10.1 tp10 -63.4 -38.9 92.92 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.661 -0.699 . . . . 0.0 109.729 178.289 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.418 ' O ' HG12 ' A' ' 81' ' ' ILE . . . -56.94 -43.45 81.54 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.7 177.67 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . 0.582 ' HG3' ' O ' ' A' ' 74' ' ' LYS . 67.9 mtt -61.41 -40.62 95.08 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.428 177.782 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 67.9 mm-40 -67.25 -45.97 75.11 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.882 178.418 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.515 ' O ' ' HB2' ' A' ' 84' ' ' PHE . 96.8 mt -60.63 -50.62 79.71 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.371 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.953 179.494 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.425 HG23 ' HB3' ' B' ' 88' ' ' LEU . 45.2 mm -62.79 -35.97 73.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-O 120.959 0.409 . . . . 0.0 110.93 -179.555 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 24.3 ttpp -62.59 -50.57 70.74 Favored 'General case' 0 C--O 1.238 0.457 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.933 178.504 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 18.8 ptpt -73.6 -25.44 60.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.52 -0.309 . . . . 0.0 110.546 179.474 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . 0.525 ' O ' ' HG ' ' A' ' 88' ' ' LEU . 1.8 t80 -62.46 -53.21 58.21 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.011 -0.54 . . . . 0.0 109.62 177.453 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -61.85 -35.54 78.57 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-N 115.716 -0.674 . . . . 0.0 110.606 178.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 26.4 ttpp -58.06 -51.26 70.44 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-N 115.861 -0.608 . . . . 0.0 110.789 176.539 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . 0.487 ' O ' ' HG3' ' A' ' 91' ' ' MET . 0.8 OUTLIER -70.01 -32.42 70.58 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.376 -178.691 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.525 ' HG ' ' O ' ' A' ' 84' ' ' PHE . 77.3 mt -61.22 -40.16 92.97 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.877 0.37 . . . . 0.0 110.404 175.729 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -62.58 -41.67 99.09 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.4 177.105 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . 0.599 ' O ' HG13 ' A' ' 94' ' ' ILE . . . -63.55 -47.63 80.81 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.546 176.252 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' MET . . . . . 0.555 ' O ' HG12 ' A' ' 95' ' ' ILE . 65.6 mtt -56.46 -51.0 70.07 Favored 'General case' 0 N--CA 1.463 0.199 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.663 179.251 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 7.7 tt -55.09 -45.53 75.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.594 177.635 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 1.5 ttp180 -60.2 -38.08 82.19 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.322 -0.854 . . . . 0.0 111.138 178.571 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 0.603 ' O ' ' HG2' ' A' ' 98' ' ' ARG . 62.1 mt -74.82 -34.0 32.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 116.627 -0.261 . . . . 0.0 111.214 -179.667 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.608 HD11 ' NE1' ' B' ' 69' ' ' TRP . 14.3 mm -54.91 -46.19 75.9 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.336 0 N-CA-C 109.268 -0.641 . . . . 0.0 109.268 175.109 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 93.0 m-20 -60.62 -42.78 97.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.341 -0.845 . . . . 0.0 110.606 175.118 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -70.18 -14.77 62.78 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.347 -0.388 . . . . 0.0 112.028 -176.073 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . 0.603 ' HG2' ' O ' ' A' ' 94' ' ' ILE . 12.4 mmm180 -67.79 -26.25 66.0 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.863 0.363 . . . . 0.0 110.925 178.355 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 14.7 mmmm -126.19 -31.08 2.86 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.901 0.381 . . . . 0.0 111.208 -177.764 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 66.22 24.33 10.75 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-N 115.205 -0.907 . . . . 0.0 113.157 174.216 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 38.2 ttmt -70.06 -54.31 13.66 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 109.603 -0.517 . . . . 0.0 109.603 173.066 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 12.6 mmmm 63.65 -173.31 0.16 Allowed 'General case' 0 C--O 1.235 0.312 0 CA-C-N 115.35 -0.841 . . . . 0.0 110.533 -178.606 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . 0.509 ' O ' ' HD2' ' A' ' 104' ' ' ARG . 14.0 mmm180 -114.73 -56.89 2.33 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 108.927 -0.768 . . . . 0.0 108.927 173.167 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . 0.509 ' HD2' ' O ' ' A' ' 103' ' ' ARG . 13.2 mmm180 . . . . . 0 C--O 1.245 0.824 0 CA-C-N 115.51 -0.768 . . . . 0.0 109.658 173.673 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 0.972 0 CA-C-O 120.798 0.332 . . . . 0.0 110.5 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 36' ' ' GLY . . . . . . . . . . . . . . . -65.94 -24.87 71.8 Favored Glycine 0 N--CA 1.45 -0.41 0 C-N-CA 120.948 -0.644 . . . . 0.0 112.401 -177.77 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 47.5 tp -69.17 -23.72 63.97 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 120.913 0.387 . . . . 0.0 110.881 179.42 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 82.2 mt -100.76 -37.62 8.64 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.432 -176.463 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -92.1 -22.69 19.76 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 111.849 0.314 . . . . 0.0 111.849 -176.487 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . 89.57 -6.82 82.9 Favored Glycine 0 N--CA 1.452 -0.242 0 C-N-CA 120.593 -0.813 . . . . 0.0 111.582 -176.461 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 41' ' ' HIS . . . . . . . . . . . . . 51.8 t60 -99.25 101.85 13.3 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 109.831 -0.433 . . . . 0.0 109.831 179.196 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 42' ' ' GLY . . . . . . . . . . . . . . . -88.1 124.17 7.04 Favored Glycine 0 N--CA 1.443 -0.834 0 C-N-CA 120.586 -0.816 . . . . 0.0 112.064 -178.522 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 43' ' ' PRO . . . . . 0.47 ' O ' HG23 ' B' ' 47' ' ' VAL . 22.5 Cg_exo -64.86 172.01 7.76 Favored 'Trans proline' 0 N--CA 1.462 -0.369 0 C-N-CA 122.44 2.094 . . . . 0.0 111.348 175.135 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . 0.483 ' HB ' HG13 ' B' ' 72' ' ' VAL . 24.1 pt -53.89 -33.04 23.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-O 120.888 0.375 . . . . 0.0 111.51 -177.198 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 45' ' ' ARG . . . . . 0.476 ' HA ' HD13 ' B' ' 80' ' ' ILE . 19.9 mtp180 -59.43 -46.45 88.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.879 -0.6 . . . . 0.0 111.073 177.655 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 46' ' ' MET . . . . . . . . . . . . . 84.7 mtp -77.66 -22.23 50.93 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.127 -178.253 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 47' ' ' VAL . . . . . 0.47 HG23 ' O ' ' B' ' 43' ' ' PRO . 96.8 t -63.96 -41.68 93.28 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 N-CA-C 109.937 -0.394 . . . . 0.0 109.937 175.685 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 67.8 mt -71.86 -33.98 68.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.906 0.384 . . . . 0.0 110.341 175.205 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -61.6 -50.6 71.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.026 -0.533 . . . . 0.0 111.131 177.629 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 50' ' ' ILE . . . . . . . . . . . . . 15.5 tt -72.92 -25.7 22.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.558 -179.397 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 51' ' ' LEU . . . . . 0.497 ' O ' ' HG2' ' B' ' 55' ' ' ARG . 12.8 tp -59.99 -58.25 9.34 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.394 -0.367 . . . . 0.0 110.088 175.788 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 52' ' ' ALA . . . . . 0.436 ' O ' ' HD1' ' B' ' 56' ' ' PHE . . . -55.25 -42.86 74.03 Favored 'General case' 0 CA--C 1.517 -0.306 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.307 179.437 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 53' ' ' PHE . . . . . 0.413 ' HB2' ' HB2' ' A' ' 53' ' ' PHE . 72.3 t80 -52.03 -59.62 4.14 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.225 175.293 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 54' ' ' LEU . . . . . . . . . . . . . 95.1 mt -71.42 -6.54 41.05 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 112.519 0.563 . . . . 0.0 112.519 -175.547 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 55' ' ' ARG . . . . . 0.497 ' HA ' HH11 ' B' ' 55' ' ' ARG . 10.4 mmm180 -98.48 -31.93 11.73 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.692 0.282 . . . . 0.0 111.621 178.411 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 56' ' ' PHE . . . . . 0.436 ' HD1' ' O ' ' B' ' 52' ' ' ALA . 84.8 m-85 -97.32 -5.75 35.88 Favored 'General case' 0 C--N 1.321 -0.667 0 C-N-CA 120.886 -0.326 . . . . 0.0 110.909 179.137 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 57' ' ' THR . . . . . 0.403 ' HA ' ' HG2' ' A' ' 46' ' ' MET . 70.5 p -100.6 -33.06 10.46 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.868 172.581 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -149.39 -179.43 7.06 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.78 -176.204 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 59' ' ' ILE . . . . . 0.416 ' N ' HD12 ' B' ' 59' ' ' ILE . 4.1 mp -111.72 124.29 68.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 N-CA-C 109.895 -0.409 . . . . 0.0 109.895 -179.388 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 88.8 tttt 63.44 99.72 0.04 OUTLIER Pre-proline 0 N--CA 1.466 0.346 0 O-C-N 123.817 0.698 . . . . 0.0 110.856 -178.484 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 61' ' ' PRO . . . . . . . . . . . . . 36.4 Cg_exo -61.17 -67.42 0.05 OUTLIER 'Trans proline' 0 C--N 1.345 0.377 0 C-N-CA 123.226 2.617 . . . . 0.0 112.313 -178.564 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 62' ' ' SER . . . . . 0.526 ' O ' HG12 ' B' ' 66' ' ' ILE . 61.6 p 179.78 151.4 0.39 Allowed 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.792 -0.818 . . . . 0.0 108.792 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 82.7 mt -67.93 -20.97 65.13 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.658 -0.246 . . . . 0.0 110.834 -178.848 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -72.25 -46.35 34.89 Favored Glycine 0 N--CA 1.449 -0.462 0 C-N-CA 121.076 -0.583 . . . . 0.0 112.071 176.634 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -67.01 -40.33 87.26 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.544 0.211 . . . . 0.0 110.545 178.033 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 66' ' ' ILE . . . . . 0.526 HG12 ' O ' ' B' ' 62' ' ' SER . 49.4 mm -65.89 -31.96 56.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-O 121.123 0.487 . . . . 0.0 110.572 178.784 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 67' ' ' ASN . . . . . . . . . . . . . 49.3 t-20 -63.4 -45.62 90.22 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.995 -0.548 . . . . 0.0 109.857 176.031 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 68' ' ' ARG . . . . . 0.418 HH11 HG21 ' B' ' 47' ' ' VAL . 23.7 ttt-85 -77.15 -22.56 52.37 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.306 0.574 . . . . 0.0 109.763 -178.267 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 69' ' ' TRP . . . . . 0.608 ' NE1' HD11 ' A' ' 95' ' ' ILE . 24.7 t90 -59.55 -44.57 93.19 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.086 -0.961 . . . . 0.0 110.435 176.911 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . -74.34 -4.55 69.4 Favored Glycine 0 N--CA 1.45 -0.405 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.499 178.496 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 71' ' ' SER . . . . . . . . . . . . . 31.6 t -91.85 -17.44 25.28 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.885 0.374 . . . . 0.0 110.23 179.262 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 72' ' ' VAL . . . . . 0.483 HG13 ' HB ' ' B' ' 44' ' ' ILE . 98.7 t -60.4 132.07 25.54 Favored 'Isoleucine or valine' 0 C--O 1.234 0.27 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.112 178.354 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 73' ' ' GLY . . . . . . . . . . . . . . . -61.56 116.36 9.24 Favored Glycine 0 N--CA 1.441 -1.016 0 N-CA-C 110.346 -1.102 . . . . 0.0 110.346 175.841 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 74' ' ' LYS . . . . . 0.584 ' O ' ' HG3' ' B' ' 78' ' ' MET . 4.9 ptpp? -62.73 -23.86 67.39 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.746 0.273 . . . . 0.0 111.501 -173.567 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 75' ' ' LYS . . . . . . . . . . . . . 42.5 tptt -65.86 -50.16 65.53 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 109.709 -0.478 . . . . 0.0 109.709 171.823 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 76' ' ' GLU . . . . . 0.445 ' O ' HG13 ' B' ' 80' ' ' ILE . 9.5 tp10 -63.29 -38.83 92.69 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.689 -0.687 . . . . 0.0 109.74 178.241 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 77' ' ' ALA . . . . . 0.405 ' O ' HG12 ' B' ' 81' ' ' ILE . . . -56.84 -43.58 81.26 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.719 177.582 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 78' ' ' MET . . . . . 0.584 ' HG3' ' O ' ' B' ' 74' ' ' LYS . 67.9 mtt -61.16 -40.88 95.52 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.49 177.865 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 79' ' ' GLU . . . . . . . . . . . . . 67.7 mm-40 -67.09 -45.9 75.88 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.924 178.419 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 80' ' ' ILE . . . . . 0.516 ' O ' ' HB2' ' B' ' 84' ' ' PHE . 96.9 mt -60.72 -50.61 79.78 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.334 0 CA-C-N 115.839 -0.618 . . . . 0.0 110.903 179.524 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 81' ' ' ILE . . . . . 0.414 HG23 ' HB3' ' A' ' 88' ' ' LEU . 45.3 mm -62.9 -35.97 73.55 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-O 120.874 0.368 . . . . 0.0 110.885 -179.606 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 82' ' ' LYS . . . . . . . . . . . . . 24.1 ttpp -62.48 -50.8 69.99 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.891 178.426 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 83' ' ' LYS . . . . . . . . . . . . . 18.8 ptpt -73.49 -25.21 60.35 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.801 0.334 . . . . 0.0 110.564 179.583 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 84' ' ' PHE . . . . . 0.525 ' O ' ' HG ' ' B' ' 88' ' ' LEU . 1.8 t80 -62.62 -53.21 57.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.044 -0.526 . . . . 0.0 109.588 177.432 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 85' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -61.88 -35.28 77.86 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.653 178.884 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 86' ' ' LYS . . . . . . . . . . . . . 26.4 ttpp -58.23 -51.65 68.87 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.653 176.428 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 87' ' ' ASP . . . . . 0.478 ' O ' ' HG3' ' B' ' 91' ' ' MET . 0.7 OUTLIER -69.55 -32.32 71.04 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.501 -178.548 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 88' ' ' LEU . . . . . 0.525 ' HG ' ' O ' ' B' ' 84' ' ' PHE . 78.2 mt -61.47 -40.0 92.96 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.896 0.379 . . . . 0.0 110.354 175.91 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -62.67 -41.82 99.29 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.335 177.058 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 90' ' ' ALA . . . . . 0.598 ' O ' HG13 ' B' ' 94' ' ' ILE . . . -63.39 -47.47 81.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.596 176.345 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 91' ' ' MET . . . . . 0.546 ' O ' HG12 ' B' ' 95' ' ' ILE . 65.6 mtt -56.49 -51.12 69.68 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.608 179.187 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 92' ' ' LEU . . . . . . . . . . . . . 7.7 tt -55.07 -45.54 75.35 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.625 177.659 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 93' ' ' ARG . . . . . 0.434 HH11 ' HD2' ' B' ' 93' ' ' ARG . 1.4 ttp180 -60.07 -38.27 82.37 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.297 -0.865 . . . . 0.0 111.173 178.515 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 94' ' ' ILE . . . . . 0.602 ' O ' ' HG2' ' B' ' 98' ' ' ARG . 62.6 mt -74.8 -33.97 32.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.638 -0.255 . . . . 0.0 111.172 -179.584 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 95' ' ' ILE . . . . . 0.601 HD11 ' NE1' ' A' ' 69' ' ' TRP . 14.1 mm -54.72 -46.35 73.86 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.301 0 N-CA-C 109.203 -0.665 . . . . 0.0 109.203 175.016 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 96' ' ' ASN . . . . . . . . . . . . . 92.6 m-20 -60.66 -42.53 97.22 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.339 -0.846 . . . . 0.0 110.725 175.364 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 97' ' ' ALA . . . . . . . . . . . . . . . -70.3 -14.78 62.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.33 -0.396 . . . . 0.0 111.981 -176.199 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 98' ' ' ARG . . . . . 0.602 ' HG2' ' O ' ' B' ' 94' ' ' ILE . 12.4 mmm180 -67.73 -26.27 66.06 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.789 0.328 . . . . 0.0 110.839 178.38 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 99' ' ' LYS . . . . . . . . . . . . . 14.6 mmmm -126.3 -31.02 2.84 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.04 0.448 . . . . 0.0 111.304 -177.799 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 100' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 66.3 24.16 10.65 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-N 115.217 -0.901 . . . . 0.0 113.089 174.046 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 101' ' ' LYS . . . . . . . . . . . . . 38.3 ttmt -69.67 -55.13 10.85 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 109.535 -0.543 . . . . 0.0 109.535 172.758 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 102' ' ' LYS . . . . . . . . . . . . . 12.6 mmmm 64.12 -173.02 0.17 Allowed 'General case' 0 C--O 1.235 0.298 0 CA-C-N 115.358 -0.837 . . . . 0.0 110.513 -178.292 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 103' ' ' ARG . . . . . 0.501 ' O ' ' HD2' ' B' ' 104' ' ' ARG . 14.2 mmm180 -114.96 -57.14 2.3 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 108.721 -0.844 . . . . 0.0 108.721 173.36 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 104' ' ' ARG . . . . . 0.501 ' HD2' ' O ' ' B' ' 103' ' ' ARG . 13.0 mmm180 . . . . . 0 C--O 1.245 0.84 0 CA-C-N 115.487 -0.779 . . . . 0.0 109.77 173.823 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.409 ' HB1' HD23 ' A' ' 38' ' ' LEU . . . . . . . . 0 N--CA 1.479 1.013 0 CA-C-O 120.995 0.426 . . . . 0.0 110.641 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -64.15 -30.46 77.84 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 121.102 -0.571 . . . . 0.0 113.303 -176.321 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -73.63 -16.06 61.24 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.7 0.286 . . . . 0.0 111.302 -178.326 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.409 HD23 ' HB1' ' A' ' 35' ' ' ALA . 3.8 mm? -105.28 -46.25 4.27 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.596 -0.274 . . . . 0.0 111.362 -178.098 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -90.45 -14.91 31.87 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 111.631 0.234 . . . . 0.0 111.631 -175.772 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 74.78 12.04 83.09 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.624 -0.798 . . . . 0.0 111.391 -175.791 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 35.0 m170 -127.98 99.91 5.69 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 109.573 -0.529 . . . . 0.0 109.573 -178.705 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -113.79 167.26 12.27 Favored Glycine 0 N--CA 1.445 -0.716 0 C-N-CA 120.397 -0.906 . . . . 0.0 112.492 -177.68 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.476 ' O ' HG23 ' A' ' 47' ' ' VAL . 22.8 Cg_exo -65.47 174.71 4.93 Favored 'Trans proline' 0 C--O 1.233 0.235 0 C-N-CA 122.964 2.443 . . . . 0.0 112.294 177.333 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 22.7 pt -53.9 -38.28 36.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 N-CA-C 112.642 0.608 . . . . 0.0 112.642 -173.301 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 19.0 mtp180 -62.5 -45.61 92.2 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-O 120.896 0.379 . . . . 0.0 110.719 179.446 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . 0.554 ' O ' HG13 ' A' ' 50' ' ' ILE . 24.1 mtt -60.18 -36.25 77.21 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.836 176.2 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.476 HG23 ' O ' ' A' ' 43' ' ' PRO . 64.0 t -60.36 -45.93 95.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.454 -0.339 . . . . 0.0 111.011 -178.75 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 11.1 mp -65.56 -32.46 74.06 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.803 0.335 . . . . 0.0 110.8 178.523 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -69.31 -47.63 63.9 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.875 176.39 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.554 HG13 ' O ' ' A' ' 46' ' ' MET . 61.3 mt -64.46 -33.37 62.45 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.166 0 CA-C-O 121.132 0.492 . . . . 0.0 109.897 177.715 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.639 ' O ' ' HG2' ' A' ' 55' ' ' ARG . 14.6 tp -56.38 -59.03 5.55 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.515 -0.766 . . . . 0.0 110.111 175.323 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.446 ' O ' ' HD1' ' A' ' 56' ' ' PHE . . . -57.47 -41.93 81.61 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.899 -0.592 . . . . 0.0 110.634 -179.818 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 88.2 t80 -52.02 -59.87 3.85 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.266 175.522 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 96.0 mt -65.88 -15.36 62.87 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 112.298 0.481 . . . . 0.0 112.298 -176.895 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.639 ' HG2' ' O ' ' A' ' 51' ' ' LEU . 41.4 mmt180 -82.96 -50.04 8.98 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.1 0.476 . . . . 0.0 111.301 178.145 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . 0.575 ' CZ ' ' HA ' ' B' ' 84' ' ' PHE . 87.7 m-85 -89.56 -13.97 36.13 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.759 -172.689 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 44.6 p -99.99 -46.75 5.24 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.257 0.551 . . . . 0.0 110.574 176.589 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -119.11 -178.83 3.66 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.409 -172.46 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 4.2 mp -120.72 124.55 72.63 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-N 115.755 -0.657 . . . . 0.0 109.314 176.8 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 1.6 tmtp? 72.83 96.92 0.04 OUTLIER Pre-proline 0 C--O 1.234 0.277 0 O-C-N 124.017 0.823 . . . . 0.0 110.31 -178.782 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 16.0 Cg_exo -70.16 144.96 53.48 Favored 'Trans proline' 0 C--O 1.236 0.386 0 C-N-CA 123.049 2.499 . . . . 0.0 111.539 174.905 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 39.1 m -57.84 139.33 54.35 Favored 'General case' 0 C--O 1.237 0.404 0 CA-C-O 121.309 0.576 . . . . 0.0 111.138 179.873 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 96.2 mt -66.35 -16.47 64.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.317 -0.856 . . . . 0.0 112.256 -172.283 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -64.81 -48.4 72.46 Favored Glycine 0 C--O 1.238 0.386 0 C-N-CA 120.498 -0.858 . . . . 0.0 111.313 174.526 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -64.09 -40.42 96.2 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 109.657 -0.497 . . . . 0.0 109.657 176.729 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.455 ' O ' ' HB3' ' A' ' 69' ' ' TRP . 49.0 mm -63.3 -34.94 70.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 115.727 -0.67 . . . . 0.0 111.03 178.613 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 -64.87 -40.84 95.77 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.523 179.369 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 28.2 ttm180 -81.97 -24.2 35.63 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.086 0.47 . . . . 0.0 109.838 179.514 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' TRP . . . . . 0.59 ' NE1' HD11 ' B' ' 95' ' ' ILE . 38.3 t90 -56.91 -50.75 71.59 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.377 -0.829 . . . . 0.0 110.38 175.189 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -75.18 -0.7 61.9 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.846 -0.692 . . . . 0.0 112.592 178.295 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 33.2 t -95.25 -10.1 31.31 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.943 0.402 . . . . 0.0 110.172 178.756 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 40.1 t -75.11 140.05 18.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-N 115.961 -0.563 . . . . 0.0 109.634 177.661 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -68.0 136.85 31.15 Favored Glycine 0 N--CA 1.441 -0.988 0 N-CA-C 111.042 -0.823 . . . . 0.0 111.042 177.243 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.459 ' HE2' ' HB2' ' B' ' 99' ' ' LYS . 44.1 mttp -59.56 -42.83 93.34 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 120.836 0.35 . . . . 0.0 110.311 -175.882 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 55.6 tptt -63.71 -45.21 91.02 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.545 177.357 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.477 ' O ' HG13 ' A' ' 80' ' ' ILE . 15.8 tp10 -61.61 -45.49 93.87 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.854 -0.612 . . . . 0.0 109.993 -179.719 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -60.4 -40.63 91.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.676 178.638 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . 0.541 ' SD ' HD21 ' B' ' 92' ' ' LEU . 61.2 mmm -55.85 -42.61 76.09 Favored 'General case' 0 C--O 1.233 0.237 0 CA-C-O 120.947 0.403 . . . . 0.0 110.595 177.433 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -73.25 -38.77 65.86 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.775 -0.648 . . . . 0.0 111.002 -179.31 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.477 HG13 ' O ' ' A' ' 76' ' ' GLU . 86.1 mt -65.05 -48.55 83.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.574 178.502 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 41.2 mm -63.61 -34.26 66.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.67 179.458 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 29.2 ttpp -58.87 -49.85 76.23 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.093 0.473 . . . . 0.0 110.108 175.549 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 14.0 tmtt? -67.2 -36.22 81.26 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.815 -0.63 . . . . 0.0 109.623 178.759 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . 0.592 ' HA ' ' CZ ' ' B' ' 56' ' ' PHE . 1.4 t80 -59.18 -54.41 47.2 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.5 -0.773 . . . . 0.0 110.589 -179.79 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 99.7 mttt -58.67 -44.97 90.37 Favored 'General case' 0 C--O 1.233 0.19 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.125 -179.59 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 60.8 mtpt -66.05 -36.58 83.63 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.377 -177.491 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 16.9 t0 -68.97 -39.53 79.39 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 109.306 -0.628 . . . . 0.0 109.306 179.363 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.503 ' HG ' ' O ' ' A' ' 84' ' ' PHE . 96.2 mt -59.33 -46.21 89.22 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.533 -0.758 . . . . 0.0 110.087 174.908 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -61.58 -36.36 80.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.741 -0.663 . . . . 0.0 111.361 -179.558 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . 0.573 ' O ' HG13 ' A' ' 94' ' ' ILE . . . -67.53 -50.4 58.85 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.567 178.75 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 74.4 mtm -66.07 -34.23 77.59 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.725 179.715 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.552 HD21 ' SD ' ' B' ' 78' ' ' MET . 51.6 tp -56.33 -45.42 80.36 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.564 0.697 . . . . 0.0 110.336 173.855 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 67.4 ttt180 -64.72 -32.72 74.52 Favored 'General case' 0 N--CA 1.439 -1.01 0 CA-C-N 115.472 -0.786 . . . . 0.0 110.672 178.736 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 0.573 HG13 ' O ' ' A' ' 90' ' ' ALA . 19.5 mt -70.71 -28.63 34.87 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 C-N-CA 120.794 -0.363 . . . . 0.0 110.315 177.809 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.569 HD11 ' NE1' ' B' ' 69' ' ' TRP . 29.7 mm -57.39 -48.08 83.4 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.14 0 CA-C-O 121.631 0.729 . . . . 0.0 109.157 171.138 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' ASN . . . . . 0.438 ' HA ' ' HD3' ' B' ' 74' ' ' LYS . 51.1 t30 -66.41 -35.54 80.58 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 114.894 -1.048 . . . . 0.0 110.403 177.245 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . 0.488 ' HB3' ' HA ' ' A' ' 94' ' ' ILE . . . -71.14 -7.46 46.82 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.556 -0.747 . . . . 0.0 112.137 -178.71 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . 0.401 ' HG2' ' O ' ' A' ' 94' ' ' ILE . 5.2 mmp_? -68.03 -19.59 64.91 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.956 0.407 . . . . 0.0 110.517 178.696 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . 0.501 ' HB2' ' HE2' ' B' ' 74' ' ' LYS . 60.4 tttm -82.89 -52.04 7.07 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.908 179.524 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -167.0 -45.74 0.02 OUTLIER 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.538 -0.756 . . . . 0.0 110.886 -169.37 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 37.1 ttmt 65.63 99.07 0.04 OUTLIER 'General case' 0 N--CA 1.463 0.215 0 O-C-N 123.649 0.593 . . . . 0.0 109.67 -172.289 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . 0.534 ' HD3' ' N ' ' A' ' 102' ' ' LYS . 0.1 OUTLIER -81.17 43.76 0.73 Allowed 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.382 -177.302 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 15.8 ptm180 47.25 -173.18 0.01 OUTLIER 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 125.165 1.386 . . . . 0.0 113.76 177.762 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 68.7 mtt180 . . . . . 0 C--O 1.25 1.115 0 CA-C-N 115.056 -0.975 . . . . 0.0 111.547 177.056 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 35' ' ' ALA . . . . . 0.404 ' HB1' HD23 ' B' ' 38' ' ' LEU . . . . . . . . 0 N--CA 1.481 1.09 0 CA-C-O 121.022 0.439 . . . . 0.0 110.74 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 36' ' ' GLY . . . . . . . . . . . . . . . -63.85 -30.25 77.16 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 121.024 -0.608 . . . . 0.0 113.3 -176.169 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -73.96 -15.83 61.1 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 120.839 0.352 . . . . 0.0 111.347 -178.248 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 38' ' ' LEU . . . . . 0.404 HD23 ' HB1' ' B' ' 35' ' ' ALA . 3.8 mm? -105.24 -46.93 4.1 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.477 -0.328 . . . . 0.0 111.265 -178.331 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -90.04 -14.78 33.16 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.667 0.27 . . . . 0.0 111.702 -175.765 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . 74.92 11.78 83.54 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.562 -0.827 . . . . 0.0 111.406 -175.886 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 41' ' ' HIS . . . . . . . . . . . . . 34.9 m170 -127.79 99.64 5.62 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 109.564 -0.532 . . . . 0.0 109.564 -178.427 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 42' ' ' GLY . . . . . . . . . . . . . . . -113.78 167.26 12.27 Favored Glycine 0 N--CA 1.446 -0.692 0 C-N-CA 120.423 -0.894 . . . . 0.0 112.543 -177.48 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 43' ' ' PRO . . . . . 0.476 ' O ' HG23 ' B' ' 47' ' ' VAL . 22.8 Cg_exo -65.63 174.79 5.0 Favored 'Trans proline' 0 C--N 1.343 0.282 0 C-N-CA 122.817 2.344 . . . . 0.0 112.311 177.57 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 22.5 pt -53.92 -38.38 36.55 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 N-CA-C 112.564 0.579 . . . . 0.0 112.564 -173.181 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 19.0 mtp180 -62.19 -45.47 93.23 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-O 120.861 0.362 . . . . 0.0 110.803 179.335 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 46' ' ' MET . . . . . 0.552 ' O ' HG13 ' B' ' 50' ' ' ILE . 24.0 mtt -60.66 -36.11 77.9 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.734 176.518 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 47' ' ' VAL . . . . . 0.476 HG23 ' O ' ' B' ' 43' ' ' PRO . 63.4 t -60.33 -45.95 95.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.11 -178.873 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 11.1 mp -65.37 -32.68 74.45 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.74 0.305 . . . . 0.0 110.924 178.355 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -69.07 -47.71 64.59 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.922 176.258 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 50' ' ' ILE . . . . . 0.552 HG13 ' O ' ' B' ' 46' ' ' MET . 61.2 mt -64.36 -33.57 63.59 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.16 0 CA-C-O 121.146 0.498 . . . . 0.0 109.95 177.729 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 51' ' ' LEU . . . . . 0.637 ' O ' ' HG2' ' B' ' 55' ' ' ARG . 14.7 tp -56.29 -58.98 5.68 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.531 -0.759 . . . . 0.0 110.124 175.287 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 52' ' ' ALA . . . . . 0.468 ' O ' ' HD1' ' B' ' 56' ' ' PHE . . . -57.5 -41.99 81.85 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.676 -179.859 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 53' ' ' PHE . . . . . . . . . . . . . 88.3 t80 -51.97 -59.75 3.98 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.351 175.471 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 54' ' ' LEU . . . . . . . . . . . . . 96.0 mt -66.0 -15.48 63.06 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 112.29 0.478 . . . . 0.0 112.29 -176.879 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 55' ' ' ARG . . . . . 0.637 ' HG2' ' O ' ' B' ' 51' ' ' LEU . 41.6 mmt180 -82.76 -50.47 8.65 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.077 0.465 . . . . 0.0 111.181 178.094 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 56' ' ' PHE . . . . . 0.592 ' CZ ' ' HA ' ' A' ' 84' ' ' PHE . 87.3 m-85 -89.03 -13.86 37.77 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.755 -172.484 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 57' ' ' THR . . . . . . . . . . . . . 44.3 p -100.15 -46.88 5.16 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.304 0.574 . . . . 0.0 110.572 176.47 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -118.83 -178.4 3.54 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.339 -172.508 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 59' ' ' ILE . . . . . . . . . . . . . 4.2 mp -121.02 124.37 72.1 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-N 115.643 -0.708 . . . . 0.0 109.45 176.713 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 1.6 tmtp? 73.08 96.88 0.04 OUTLIER Pre-proline 0 N--CA 1.465 0.292 0 O-C-N 124.017 0.823 . . . . 0.0 110.222 -178.758 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 61' ' ' PRO . . . . . . . . . . . . . 16.0 Cg_exo -70.15 145.03 53.73 Favored 'Trans proline' 0 C--O 1.234 0.299 0 C-N-CA 123.074 2.516 . . . . 0.0 111.561 174.863 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 33.2 m -57.96 139.15 55.02 Favored 'General case' 0 C--O 1.237 0.447 0 CA-C-O 121.201 0.524 . . . . 0.0 111.162 179.891 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 96.0 mt -66.04 -16.56 64.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.367 -0.833 . . . . 0.0 112.279 -172.397 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -64.69 -48.64 70.39 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.522 -0.847 . . . . 0.0 111.333 174.443 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -64.05 -40.38 96.15 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 109.755 -0.461 . . . . 0.0 109.755 176.759 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 66' ' ' ILE . . . . . 0.468 ' O ' ' HB3' ' B' ' 69' ' ' TRP . 48.8 mm -63.05 -35.47 71.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 115.736 -0.665 . . . . 0.0 110.919 178.432 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 67' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 -64.54 -41.17 96.52 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.477 179.728 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 68' ' ' ARG . . . . . . . . . . . . . 27.5 ttm180 -81.52 -24.17 36.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.124 0.488 . . . . 0.0 109.93 179.599 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 69' ' ' TRP . . . . . 0.569 ' NE1' HD11 ' A' ' 95' ' ' ILE . 38.5 t90 -56.99 -50.64 72.09 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.37 -0.832 . . . . 0.0 110.372 175.24 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . -74.95 -1.51 62.88 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.93 -0.652 . . . . 0.0 112.564 178.367 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 71' ' ' SER . . . . . . . . . . . . . 34.6 t -94.67 -9.84 33.63 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.05 0.452 . . . . 0.0 110.089 178.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 72' ' ' VAL . . . . . . . . . . . . . 39.9 t -75.42 139.91 18.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 115.968 -0.56 . . . . 0.0 109.685 177.619 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 73' ' ' GLY . . . . . . . . . . . . . . . -68.03 136.75 31.02 Favored Glycine 0 N--CA 1.44 -1.085 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 177.402 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 74' ' ' LYS . . . . . 0.501 ' HE2' ' HB2' ' A' ' 99' ' ' LYS . 44.4 mttp -59.56 -42.93 93.53 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 120.849 0.357 . . . . 0.0 110.384 -175.861 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 75' ' ' LYS . . . . . . . . . . . . . 55.6 tptt -63.6 -45.29 91.05 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.592 177.259 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 76' ' ' GLU . . . . . 0.485 ' O ' HG13 ' B' ' 80' ' ' ILE . 15.9 tp10 -61.42 -45.68 93.3 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.762 -0.654 . . . . 0.0 109.998 -179.671 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 77' ' ' ALA . . . . . . . . . . . . . . . -60.29 -40.53 90.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.774 178.628 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 78' ' ' MET . . . . . 0.552 ' SD ' HD21 ' A' ' 92' ' ' LEU . 61.2 mmm -55.92 -42.56 76.29 Favored 'General case' 0 N--CA 1.462 0.175 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.592 177.402 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 79' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -73.5 -38.39 65.37 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.045 -179.125 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 80' ' ' ILE . . . . . 0.485 HG13 ' O ' ' B' ' 76' ' ' GLU . 85.7 mt -65.27 -48.51 83.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.614 178.232 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 81' ' ' ILE . . . . . . . . . . . . . 41.3 mm -63.68 -34.22 66.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.901 0.381 . . . . 0.0 110.734 179.399 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 82' ' ' LYS . . . . . . . . . . . . . 29.2 ttpp -58.78 -49.97 75.67 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.161 175.458 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 83' ' ' LYS . . . . . . . . . . . . . 13.9 tmtt? -67.18 -36.17 81.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.784 -0.644 . . . . 0.0 109.686 178.548 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 84' ' ' PHE . . . . . 0.575 ' HA ' ' CZ ' ' A' ' 56' ' ' PHE . 1.4 t80 -59.28 -54.26 48.91 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.637 -0.711 . . . . 0.0 110.528 -179.786 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 85' ' ' LYS . . . . . . . . . . . . . 99.7 mttt -58.95 -44.55 91.46 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.149 -179.456 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 86' ' ' LYS . . . . . . . . . . . . . 60.2 mtpt -66.17 -36.87 84.23 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.372 -177.506 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 87' ' ' ASP . . . . . . . . . . . . . 16.1 t0 -68.81 -39.27 80.17 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 109.543 -0.54 . . . . 0.0 109.543 179.251 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 88' ' ' LEU . . . . . 0.508 ' HG ' ' O ' ' B' ' 84' ' ' PHE . 96.1 mt -59.62 -45.93 90.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.555 -0.748 . . . . 0.0 110.028 174.913 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -61.71 -36.68 81.64 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.764 -0.653 . . . . 0.0 111.284 -179.488 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 90' ' ' ALA . . . . . 0.575 ' O ' HG13 ' B' ' 94' ' ' ILE . . . -67.42 -50.25 60.21 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.608 178.935 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 91' ' ' MET . . . . . . . . . . . . . 74.1 mtm -66.05 -34.11 77.34 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.812 179.382 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 92' ' ' LEU . . . . . 0.541 HD21 ' SD ' ' A' ' 78' ' ' MET . 51.3 tp -56.48 -45.31 81.0 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.547 0.689 . . . . 0.0 110.304 173.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 93' ' ' ARG . . . . . . . . . . . . . 67.6 ttt180 -64.63 -33.06 75.05 Favored 'General case' 0 N--CA 1.439 -1.016 0 CA-C-N 115.482 -0.781 . . . . 0.0 110.665 178.664 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 94' ' ' ILE . . . . . 0.575 HG13 ' O ' ' B' ' 90' ' ' ALA . 19.4 mt -70.47 -28.64 35.65 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 C-N-CA 120.853 -0.339 . . . . 0.0 110.306 177.878 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 95' ' ' ILE . . . . . 0.59 HD11 ' NE1' ' A' ' 69' ' ' TRP . 29.6 mm -57.5 -48.0 83.86 Favored 'Isoleucine or valine' 0 C--O 1.233 0.217 0 N-CA-C 109.034 -0.728 . . . . 0.0 109.034 171.159 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 96' ' ' ASN . . . . . 0.433 ' HA ' ' HD3' ' A' ' 74' ' ' LYS . 50.7 t30 -66.5 -35.38 80.11 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.042 -0.981 . . . . 0.0 110.376 177.331 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 97' ' ' ALA . . . . . 0.488 ' HB3' ' HA ' ' B' ' 94' ' ' ILE . . . -71.22 -7.73 48.84 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.594 -0.73 . . . . 0.0 112.1 -178.762 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 98' ' ' ARG . . . . . 0.41 ' HG2' ' O ' ' B' ' 94' ' ' ILE . 5.2 mmp_? -67.7 -19.46 65.17 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.869 0.366 . . . . 0.0 110.594 178.616 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 99' ' ' LYS . . . . . 0.459 ' HB2' ' HE2' ' A' ' 74' ' ' LYS . 60.7 tttm -83.03 -52.43 6.66 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.674 179.7 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 100' ' ' GLU . . . . . . . . . . . . . 41.2 tt0 -166.71 -45.75 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.48 -0.782 . . . . 0.0 110.924 -169.177 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 101' ' ' LYS . . . . . . . . . . . . . 37.2 ttmt 65.81 99.15 0.04 OUTLIER 'General case' 0 N--CA 1.463 0.209 0 O-C-N 123.636 0.585 . . . . 0.0 109.662 -172.383 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 102' ' ' LYS . . . . . 0.525 ' HD3' ' N ' ' B' ' 102' ' ' LYS . 0.1 OUTLIER -81.43 43.6 0.74 Allowed 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.338 -177.06 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 103' ' ' ARG . . . . . . . . . . . . . 15.8 ptm180 47.33 -173.36 0.01 OUTLIER 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 125.043 1.337 . . . . 0.0 113.727 177.808 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 104' ' ' ARG . . . . . 0.412 HH11 ' HD2' ' B' ' 104' ' ' ARG . 68.4 mtt180 . . . . . 0 C--O 1.248 1.016 0 CA-C-N 115.138 -0.937 . . . . 0.0 111.636 176.775 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.016 0 CA-C-O 120.975 0.417 . . . . 0.0 110.367 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -59.12 -39.23 94.15 Favored Glycine 0 N--CA 1.452 -0.278 0 CA-C-N 116.05 -0.523 . . . . 0.0 113.455 -174.714 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 10.7 mp -70.88 -19.91 62.57 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-O 120.623 0.249 . . . . 0.0 111.498 -176.779 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 10.1 mp -95.38 -35.16 11.86 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.851 0.358 . . . . 0.0 110.639 -178.174 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -92.98 -6.12 49.12 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.228 -178.521 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 73.23 34.26 58.19 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.934 -0.651 . . . . 0.0 112.244 177.878 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 31.8 m170 -132.27 173.93 10.75 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 110.111 -0.329 . . . . 0.0 110.111 -176.677 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -123.76 89.22 0.4 Allowed Glycine 0 N--CA 1.441 -0.975 0 N-CA-C 111.078 -0.809 . . . . 0.0 111.078 174.813 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.526 ' HD2' ' SD ' ' A' ' 46' ' ' MET . 31.6 Cg_exo -60.37 161.66 19.61 Favored 'Trans proline' 0 C--N 1.343 0.281 0 C-N-CA 122.816 2.344 . . . . 0.0 111.52 178.449 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.53 HD12 ' HG2' ' A' ' 76' ' ' GLU . 11.2 pt -55.59 -26.38 19.62 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.337 0 N-CA-C 113.44 0.904 . . . . 0.0 113.44 -169.232 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.491 HH11 HD11 ' A' ' 80' ' ' ILE . 3.4 mpt_? -61.86 -50.17 73.3 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-O 121.59 0.709 . . . . 0.0 109.48 172.785 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . 0.526 ' SD ' ' HD2' ' A' ' 43' ' ' PRO . 80.4 mtp -70.74 -29.28 65.48 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 114.963 -1.017 . . . . 0.0 111.007 -179.249 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 98.2 t -62.35 -46.15 97.1 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.156 0 CA-C-O 120.775 0.322 . . . . 0.0 110.461 178.912 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 80.5 mt -68.87 -35.19 76.6 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.822 177.689 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -65.93 -48.82 70.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.436 179.08 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.41 ' O ' ' HB3' ' A' ' 53' ' ' PHE . 15.0 tt -71.4 -25.33 24.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.878 0.37 . . . . 0.0 110.3 -179.577 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.556 HD23 ' SD ' ' B' ' 91' ' ' MET . 11.9 tp -62.36 -55.81 24.38 Favored 'General case' 0 N--CA 1.451 -0.413 0 N-CA-C 109.652 -0.499 . . . . 0.0 109.652 176.133 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -57.44 -37.78 73.38 Favored 'General case' 0 CA--C 1.52 -0.196 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.585 178.174 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.41 ' HB3' ' O ' ' A' ' 50' ' ' ILE . 91.7 t80 -54.03 -56.11 21.05 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.609 -0.723 . . . . 0.0 109.72 173.82 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 81.1 mt -69.7 -10.05 56.78 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.989 -178.762 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.556 ' HG2' ' O ' ' A' ' 51' ' ' LEU . 27.7 mmm180 -85.34 -37.4 19.96 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.949 0.404 . . . . 0.0 111.044 177.407 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . 0.447 ' CZ ' ' HA ' ' B' ' 84' ' ' PHE . 66.4 m-85 -106.96 -10.92 15.82 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.277 -0.42 . . . . 0.0 112.042 -175.595 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . 0.421 ' HA ' ' HG2' ' B' ' 46' ' ' MET . 27.3 p -108.68 -1.57 19.35 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.201 0.524 . . . . 0.0 110.695 175.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -156.6 177.54 11.36 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.846 -0.615 . . . . 0.0 109.82 -177.164 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.468 ' O ' HG22 ' A' ' 59' ' ' ILE . 3.3 mp -122.12 38.86 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-O 122.257 1.027 . . . . 0.0 110.087 179.435 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 54.3 tttp 173.79 118.72 0.09 OUTLIER Pre-proline 0 C--N 1.319 -0.761 0 CA-C-N 114.304 -1.317 . . . . 0.0 110.427 177.114 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 3.0 Cg_exo -76.82 135.3 15.7 Favored 'Trans proline' 0 N--CA 1.457 -0.639 0 C-N-CA 122.34 2.027 . . . . 0.0 110.689 169.212 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.41 ' HB2' HD23 ' A' ' 65' ' ' LEU . 14.7 m -60.93 142.26 56.54 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.217 0.532 . . . . 0.0 110.659 -179.382 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 87.4 mt -58.24 -30.37 66.49 Favored 'General case' 0 C--O 1.224 -0.289 0 CA-C-N 115.069 -0.969 . . . . 0.0 112.773 -170.581 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -58.11 -44.76 94.6 Favored Glycine 0 C--O 1.239 0.435 0 C-N-CA 120.295 -0.955 . . . . 0.0 111.428 177.555 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.41 HD23 ' HB2' ' A' ' 62' ' ' SER . 2.9 mm? -66.76 -40.5 88.27 Favored 'General case' 0 C--O 1.219 -0.506 0 N-CA-C 109.76 -0.459 . . . . 0.0 109.76 177.395 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.434 ' O ' ' HB3' ' A' ' 69' ' ' TRP . 41.6 mm -62.0 -42.89 96.58 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.349 0 CA-C-O 121.122 0.487 . . . . 0.0 111.247 179.44 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 7.2 m120 -61.61 -39.4 91.1 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.894 -0.593 . . . . 0.0 111.401 179.579 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 55.8 ttt180 -83.9 -23.77 31.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.292 0.568 . . . . 0.0 110.254 179.456 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' TRP . . . . . 0.543 ' NE1' HD11 ' B' ' 95' ' ' ILE . 36.3 t90 -58.57 -46.98 85.75 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.282 -0.872 . . . . 0.0 110.582 176.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -68.86 -11.9 63.89 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.842 -0.694 . . . . 0.0 112.598 178.132 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 23.7 t -86.64 -19.34 29.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.748 0.308 . . . . 0.0 110.321 179.101 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 28.3 t -66.42 135.34 28.64 Favored 'Isoleucine or valine' 0 C--O 1.235 0.325 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 173.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -80.55 151.96 33.23 Favored Glycine 0 N--CA 1.447 -0.632 0 C-N-CA 120.511 -0.852 . . . . 0.0 111.731 179.419 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.544 ' O ' ' HG3' ' A' ' 78' ' ' MET . 0.0 OUTLIER -62.94 -44.96 94.64 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.732 0.266 . . . . 0.0 111.145 -177.508 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 57.8 tptt -60.38 -48.05 83.43 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.133 0.492 . . . . 0.0 110.125 179.625 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.53 ' HG2' HD12 ' A' ' 44' ' ' ILE . 9.7 tp10 -59.01 -50.32 74.55 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.221 -0.899 . . . . 0.0 110.416 178.272 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.533 ' O ' HG12 ' A' ' 81' ' ' ILE . . . -58.84 -41.82 87.83 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.911 -179.733 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . 0.544 ' HG3' ' O ' ' A' ' 74' ' ' LYS . 65.9 mtt -54.06 -49.35 69.19 Favored 'General case' 0 CA--C 1.518 -0.259 0 O-C-N 123.08 0.237 . . . . 0.0 110.688 178.223 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.43 ' O ' ' HG2' ' A' ' 83' ' ' LYS . 47.2 mt-10 -65.09 -41.9 94.57 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.896 -177.916 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.491 HD11 HH11 ' A' ' 45' ' ' ARG . 75.6 mt -62.94 -46.49 96.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.498 177.746 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.533 HG12 ' O ' ' A' ' 77' ' ' ALA . 37.9 mm -62.64 -37.13 78.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.105 -179.495 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . 0.535 ' HG3' ' O ' ' A' ' 78' ' ' MET . 68.6 mttm -61.64 -43.49 98.75 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.882 0.372 . . . . 0.0 110.581 176.85 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.43 ' HG2' ' O ' ' A' ' 79' ' ' GLU . 75.3 mmtt -70.58 -33.11 70.72 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.18 178.619 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . 0.521 ' O ' ' HG ' ' A' ' 88' ' ' LEU . 1.7 t80 -65.38 -51.86 57.52 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.516 -0.765 . . . . 0.0 109.962 178.803 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -59.89 -35.46 74.88 Favored 'General case' 0 C--O 1.233 0.19 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.558 177.921 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 61.7 tttp -63.38 -46.79 84.85 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.726 -0.67 . . . . 0.0 111.087 178.577 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -67.81 -34.35 76.58 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 109.816 -0.439 . . . . 0.0 109.816 -178.641 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.521 ' HG ' ' O ' ' A' ' 84' ' ' PHE . 91.5 mt -62.05 -44.04 97.55 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 115.784 -0.643 . . . . 0.0 110.317 175.127 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -64.2 -37.5 87.69 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.684 178.503 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . 0.66 ' O ' HG13 ' A' ' 94' ' ' ILE . . . -68.3 -51.47 44.47 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.92 178.864 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' MET . . . . . 0.59 ' O ' HG12 ' A' ' 95' ' ' ILE . 23.4 ptp -60.85 -38.0 84.0 Favored 'General case' 0 N--CA 1.462 0.169 0 CA-C-O 120.465 0.174 . . . . 0.0 110.619 -178.781 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.416 HD21 ' HG2' ' B' ' 78' ' ' MET . 17.7 tp -60.42 -46.52 89.71 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-O 121.503 0.668 . . . . 0.0 110.47 175.247 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . 0.427 ' HD3' ' C ' ' A' ' 93' ' ' ARG . 3.6 tmt_? -57.89 -37.57 74.22 Favored 'General case' 0 N--CA 1.444 -0.764 0 CA-C-N 115.287 -0.869 . . . . 0.0 110.198 177.841 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 0.66 HG13 ' O ' ' A' ' 90' ' ' ALA . 17.1 mt -76.02 -25.96 17.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.729 179.071 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.59 HG12 ' O ' ' A' ' 91' ' ' MET . 29.8 mm -56.97 -42.36 78.83 Favored 'Isoleucine or valine' 0 C--O 1.237 0.423 0 N-CA-C 109.341 -0.615 . . . . 0.0 109.341 172.369 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' ASN . . . . . 0.402 ' HA ' ' HE2' ' B' ' 74' ' ' LYS . 35.2 t30 -64.42 -43.26 94.93 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.313 -0.858 . . . . 0.0 110.153 174.626 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -66.95 -20.84 65.96 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.313 179.151 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . 0.403 ' HG2' ' O ' ' A' ' 94' ' ' ILE . 22.6 mmm180 -95.89 30.12 2.49 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.305 0.574 . . . . 0.0 109.975 174.87 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -145.89 -56.07 0.29 Allowed 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 108.619 -0.882 . . . . 0.0 108.619 175.589 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 58.52 22.64 9.89 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-N 115.193 -0.912 . . . . 0.0 111.366 177.203 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 28.3 mtpp 65.56 161.63 0.14 Allowed 'General case' 0 C--O 1.233 0.206 0 CA-C-N 115.571 -0.74 . . . . 0.0 111.799 -178.465 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 35.6 mtmm 71.28 41.19 0.79 Allowed 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.35 -0.841 . . . . 0.0 110.353 175.601 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 32.5 tpt180 -84.21 -21.63 31.15 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.388 -179.478 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 78.7 mtp180 . . . . . 0 C--O 1.25 1.083 0 CA-C-O 118.742 -0.647 . . . . 0.0 110.548 -179.988 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.047 0 CA-C-O 120.874 0.369 . . . . 0.0 110.573 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 36' ' ' GLY . . . . . . . . . . . . . . . -59.64 -38.93 94.47 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 121.147 -0.549 . . . . 0.0 113.511 -174.071 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 10.6 mp -71.04 -19.55 62.48 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 120.741 0.305 . . . . 0.0 111.522 -177.083 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 10.1 mp -95.43 -35.39 11.74 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.91 0.386 . . . . 0.0 110.71 -178.366 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -92.7 -6.47 49.12 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.312 -178.467 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . 73.73 34.04 57.07 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 121.03 -0.605 . . . . 0.0 112.209 177.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 41' ' ' HIS . . . . . . . . . . . . . 31.7 m170 -132.31 173.68 11.01 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 110.107 -0.331 . . . . 0.0 110.107 -176.673 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 42' ' ' GLY . . . . . . . . . . . . . . . -123.56 89.2 0.4 Allowed Glycine 0 N--CA 1.442 -0.952 0 N-CA-C 111.077 -0.809 . . . . 0.0 111.077 174.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 43' ' ' PRO . . . . . 0.531 ' HD2' ' SD ' ' B' ' 46' ' ' MET . 31.6 Cg_exo -60.22 161.45 19.7 Favored 'Trans proline' 0 C--N 1.345 0.344 0 C-N-CA 122.852 2.368 . . . . 0.0 111.662 178.277 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . 0.52 HD12 ' HG2' ' B' ' 76' ' ' GLU . 11.4 pt -55.69 -26.14 19.54 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.268 0 N-CA-C 113.398 0.888 . . . . 0.0 113.398 -169.178 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 45' ' ' ARG . . . . . 0.49 HH11 HD11 ' B' ' 80' ' ' ILE . 3.4 mpt_? -61.94 -50.3 72.71 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-O 121.478 0.656 . . . . 0.0 109.523 172.575 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 46' ' ' MET . . . . . 0.531 ' SD ' ' HD2' ' B' ' 43' ' ' PRO . 80.6 mtp -70.6 -29.32 65.7 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.008 -0.997 . . . . 0.0 110.994 -179.368 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 47' ' ' VAL . . . . . . . . . . . . . 97.5 t -62.44 -46.1 97.22 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.117 0 CA-C-O 120.755 0.312 . . . . 0.0 110.46 179.018 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 80.0 mt -68.94 -35.14 76.45 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.778 177.742 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -65.91 -48.85 70.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.391 179.109 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 50' ' ' ILE . . . . . 0.412 ' O ' ' HB3' ' B' ' 53' ' ' PHE . 15.1 tt -71.34 -25.23 24.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 120.865 0.364 . . . . 0.0 110.409 -179.683 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 51' ' ' LEU . . . . . 0.556 HD23 ' SD ' ' A' ' 91' ' ' MET . 11.9 tp -62.41 -55.81 24.23 Favored 'General case' 0 N--CA 1.452 -0.372 0 N-CA-C 109.628 -0.508 . . . . 0.0 109.628 176.113 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -57.42 -37.78 73.33 Favored 'General case' 0 C--O 1.233 0.205 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.579 178.155 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 53' ' ' PHE . . . . . 0.412 ' HB3' ' O ' ' B' ' 50' ' ' ILE . 91.5 t80 -54.08 -55.96 22.56 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.62 -0.718 . . . . 0.0 109.726 173.819 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 54' ' ' LEU . . . . . . . . . . . . . 81.1 mt -69.98 -9.76 56.29 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.852 -178.707 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 55' ' ' ARG . . . . . 0.554 ' HG2' ' O ' ' B' ' 51' ' ' LEU . 27.7 mmm180 -85.73 -36.9 19.89 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.741 0.305 . . . . 0.0 111.162 177.361 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 56' ' ' PHE . . . . . 0.446 ' CZ ' ' HA ' ' A' ' 84' ' ' PHE . 66.5 m-85 -107.31 -11.12 15.63 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.349 -0.387 . . . . 0.0 112.041 -175.821 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 57' ' ' THR . . . . . 0.454 ' HA ' ' HG2' ' A' ' 46' ' ' MET . 27.2 p -108.3 -1.95 19.65 Favored 'General case' 0 C--N 1.325 -0.462 0 C-N-CA 120.456 -0.498 . . . . 0.0 110.591 176.041 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -156.38 177.61 11.26 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.909 -0.587 . . . . 0.0 109.844 -177.088 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 59' ' ' ILE . . . . . 0.471 ' O ' HG22 ' B' ' 59' ' ' ILE . 3.2 mp -122.56 39.66 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-O 122.076 0.941 . . . . 0.0 109.987 179.498 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 54.4 tttp 173.45 118.98 0.09 OUTLIER Pre-proline 0 C--N 1.319 -0.73 0 CA-C-N 114.348 -1.297 . . . . 0.0 110.266 176.448 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 61' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_exo -76.76 135.42 15.93 Favored 'Trans proline' 0 N--CA 1.457 -0.644 0 C-N-CA 122.348 2.032 . . . . 0.0 110.672 168.757 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 62' ' ' SER . . . . . 0.405 ' HB2' HD23 ' B' ' 65' ' ' LEU . 14.6 m -61.01 142.05 56.9 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.217 0.532 . . . . 0.0 110.651 -179.529 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 87.5 mt -58.08 -30.5 66.27 Favored 'General case' 0 CA--C 1.517 -0.302 0 CA-C-N 115.119 -0.946 . . . . 0.0 112.69 -170.625 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -57.74 -45.13 93.76 Favored Glycine 0 C--O 1.238 0.388 0 C-N-CA 120.216 -0.992 . . . . 0.0 111.654 177.175 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 65' ' ' LEU . . . . . 0.415 ' H ' HD22 ' B' ' 65' ' ' LEU . 2.9 mm? -66.59 -40.62 88.98 Favored 'General case' 0 C--O 1.219 -0.525 0 N-CA-C 109.73 -0.47 . . . . 0.0 109.73 177.446 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 66' ' ' ILE . . . . . 0.428 ' O ' ' HB3' ' B' ' 69' ' ' TRP . 41.6 mm -61.83 -42.87 96.21 Favored 'Isoleucine or valine' 0 C--O 1.234 0.27 0 CA-C-O 121.11 0.481 . . . . 0.0 111.201 179.421 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 67' ' ' ASN . . . . . . . . . . . . . 7.3 m120 -61.72 -39.01 90.0 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.487 179.495 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 68' ' ' ARG . . . . . . . . . . . . . 55.5 ttt180 -84.27 -23.67 30.25 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.357 0.599 . . . . 0.0 110.277 179.257 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 69' ' ' TRP . . . . . 0.522 ' NE1' HD11 ' A' ' 95' ' ' ILE . 36.3 t90 -58.53 -46.9 85.83 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.258 -0.883 . . . . 0.0 110.6 177.1 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . -69.48 -11.26 64.74 Favored Glycine 0 N--CA 1.45 -0.417 0 C-N-CA 120.94 -0.648 . . . . 0.0 112.587 178.208 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 71' ' ' SER . . . . . . . . . . . . . 24.8 t -86.63 -20.03 28.44 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 110.143 -0.318 . . . . 0.0 110.143 178.619 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 72' ' ' VAL . . . . . . . . . . . . . 27.9 t -65.94 135.42 28.43 Favored 'Isoleucine or valine' 0 C--O 1.236 0.354 0 N-CA-C 109.26 -0.644 . . . . 0.0 109.26 174.231 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 73' ' ' GLY . . . . . . . . . . . . . . . -80.56 151.84 33.05 Favored Glycine 0 N--CA 1.445 -0.71 0 C-N-CA 120.593 -0.813 . . . . 0.0 111.726 179.39 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 74' ' ' LYS . . . . . 0.531 ' O ' ' HG3' ' B' ' 78' ' ' MET . 0.0 OUTLIER -63.17 -44.87 94.22 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.657 0.228 . . . . 0.0 111.077 -177.441 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 75' ' ' LYS . . . . . . . . . . . . . 57.7 tptt -60.49 -47.59 85.47 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.166 0.508 . . . . 0.0 110.161 179.59 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 76' ' ' GLU . . . . . 0.52 ' HG2' HD12 ' B' ' 44' ' ' ILE . 9.8 tp10 -59.59 -50.06 75.35 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.201 -0.909 . . . . 0.0 110.443 178.345 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 77' ' ' ALA . . . . . 0.534 ' O ' HG12 ' B' ' 81' ' ' ILE . . . -58.95 -41.75 88.16 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.954 -179.849 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 78' ' ' MET . . . . . 0.536 ' O ' ' HG3' ' B' ' 82' ' ' LYS . 65.7 mtt -54.14 -49.25 69.65 Favored 'General case' 0 CA--C 1.518 -0.269 0 CA-C-O 120.725 0.298 . . . . 0.0 110.681 178.259 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 79' ' ' GLU . . . . . 0.435 ' O ' ' HG2' ' B' ' 83' ' ' LYS . 47.9 mt-10 -65.2 -41.89 94.08 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.908 -177.902 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 80' ' ' ILE . . . . . 0.49 HD11 HH11 ' B' ' 45' ' ' ARG . 75.8 mt -62.97 -46.53 96.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.402 177.638 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 81' ' ' ILE . . . . . 0.534 HG12 ' O ' ' B' ' 77' ' ' ALA . 38.6 mm -62.58 -36.87 77.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.253 -179.549 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 82' ' ' LYS . . . . . 0.536 ' HG3' ' O ' ' B' ' 78' ' ' MET . 68.6 mttm -61.86 -43.46 98.8 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.874 0.368 . . . . 0.0 110.533 176.819 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 83' ' ' LYS . . . . . 0.435 ' HG2' ' O ' ' B' ' 79' ' ' GLU . 75.3 mmtt -70.66 -33.24 70.74 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.139 0.495 . . . . 0.0 110.045 178.714 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 84' ' ' PHE . . . . . 0.529 ' O ' ' HG ' ' B' ' 88' ' ' LEU . 1.7 t80 -65.2 -51.76 58.98 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.536 -0.756 . . . . 0.0 110.067 178.885 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 85' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -59.77 -35.56 74.88 Favored 'General case' 0 C--O 1.232 0.176 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.544 177.821 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 86' ' ' LYS . . . . . . . . . . . . . 61.2 tttp -63.32 -47.42 82.3 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.914 178.771 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 87' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -67.22 -33.99 76.53 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.284 -0.416 . . . . 0.0 109.992 -178.607 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 88' ' ' LEU . . . . . 0.529 ' HG ' ' O ' ' B' ' 84' ' ' PHE . 91.9 mt -62.4 -44.1 97.24 Favored 'General case' 0 C--N 1.333 -0.127 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.214 175.107 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -64.38 -37.27 86.93 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.625 178.619 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 90' ' ' ALA . . . . . 0.682 ' O ' HG13 ' B' ' 94' ' ' ILE . . . -68.54 -50.89 48.49 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.805 -0.634 . . . . 0.0 111.006 178.752 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 91' ' ' MET . . . . . 0.583 ' O ' HG12 ' B' ' 95' ' ' ILE . 23.3 ptp -61.49 -37.92 85.42 Favored 'General case' 0 N--CA 1.462 0.168 0 C-N-CA 121.24 -0.184 . . . . 0.0 110.54 -178.665 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 92' ' ' LEU . . . . . . . . . . . . . 17.5 tp -60.27 -46.53 89.52 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-O 121.409 0.623 . . . . 0.0 110.432 175.186 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 93' ' ' ARG . . . . . 0.446 ' HD3' ' O ' ' B' ' 93' ' ' ARG . 3.6 tmt_? -57.93 -37.49 74.17 Favored 'General case' 0 N--CA 1.444 -0.742 0 CA-C-N 115.315 -0.857 . . . . 0.0 110.164 177.889 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 94' ' ' ILE . . . . . 0.682 HG13 ' O ' ' B' ' 90' ' ' ALA . 17.5 mt -76.0 -26.17 17.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.697 179.054 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 95' ' ' ILE . . . . . 0.583 HG12 ' O ' ' B' ' 91' ' ' MET . 29.7 mm -56.81 -42.55 77.98 Favored 'Isoleucine or valine' 0 C--O 1.237 0.419 0 CA-C-O 121.429 0.633 . . . . 0.0 109.35 172.542 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 96' ' ' ASN . . . . . . . . . . . . . 34.2 t30 -64.37 -43.21 95.24 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.186 -0.915 . . . . 0.0 110.138 174.746 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 97' ' ' ALA . . . . . . . . . . . . . . . -67.19 -20.34 65.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.318 179.037 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 98' ' ' ARG . . . . . 0.403 ' HG2' ' O ' ' B' ' 94' ' ' ILE . 22.7 mmm180 -96.0 29.46 2.74 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.216 0.531 . . . . 0.0 110.006 174.794 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 99' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -145.54 -55.79 0.3 Allowed 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 108.757 -0.831 . . . . 0.0 108.757 175.895 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 100' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 58.67 21.99 9.42 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-N 115.182 -0.917 . . . . 0.0 111.359 176.807 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 101' ' ' LYS . . . . . . . . . . . . . 28.3 mtpp 66.24 161.95 0.15 Allowed 'General case' 0 C--O 1.233 0.208 0 CA-C-N 115.54 -0.754 . . . . 0.0 111.689 -178.276 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 102' ' ' LYS . . . . . . . . . . . . . 35.7 mtmm 71.23 40.86 0.82 Allowed 'General case' 0 N--CA 1.465 0.306 0 CA-C-N 115.294 -0.866 . . . . 0.0 110.38 175.384 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 103' ' ' ARG . . . . . . . . . . . . . 32.6 tpt180 -83.99 -21.82 31.58 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.725 -0.67 . . . . 0.0 110.262 -179.23 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 104' ' ' ARG . . . . . . . . . . . . . 78.9 mtp180 . . . . . 0 C--O 1.251 1.143 0 CA-C-O 118.857 -0.592 . . . . 0.0 110.439 179.972 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 0.972 0 CA-C-O 120.874 0.369 . . . . 0.0 110.582 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -60.44 -36.88 92.24 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 121.16 -0.543 . . . . 0.0 112.846 -177.515 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 9.4 mp -71.23 -20.63 62.22 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 120.71 0.291 . . . . 0.0 111.394 -177.718 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 53.0 tp -94.57 -39.39 10.4 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.906 0.384 . . . . 0.0 110.823 -177.131 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -91.91 -8.17 47.12 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.754 -176.085 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 80.09 39.05 17.13 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.045 179.705 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 28.3 m-70 -122.69 81.73 1.89 Allowed 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 120.874 0.369 . . . . 0.0 110.33 -178.629 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -91.24 130.85 10.49 Favored Glycine 0 N--CA 1.446 -0.647 0 C-N-CA 120.66 -0.781 . . . . 0.0 112.325 -179.334 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.674 ' HD2' ' SD ' ' A' ' 46' ' ' MET . 39.3 Cg_endo -67.79 170.25 14.44 Favored 'Trans proline' 0 C--O 1.232 0.218 0 C-N-CA 122.693 2.262 . . . . 0.0 112.108 176.553 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 24.4 pt -52.02 -40.79 30.13 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.358 0 N-CA-C 113.047 0.758 . . . . 0.0 113.047 -171.708 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 17.6 ptt180 -59.76 -46.68 88.41 Favored 'General case' 0 C--O 1.232 0.173 0 CA-C-O 121.163 0.506 . . . . 0.0 110.962 178.933 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . 0.674 ' SD ' ' HD2' ' A' ' 43' ' ' PRO . 59.3 mtt -65.1 -32.46 74.17 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.621 -0.718 . . . . 0.0 111.222 178.62 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.451 HG23 ' O ' ' A' ' 43' ' ' PRO . 97.6 t -58.05 -48.75 83.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.721 0.296 . . . . 0.0 110.533 177.897 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 86.6 mt -63.52 -37.12 86.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.788 178.395 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -65.97 -47.55 74.21 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.251 178.127 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.532 HG13 ' O ' ' A' ' 46' ' ' MET . 70.0 mt -64.74 -31.58 54.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.337 179.342 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.468 HD22 ' NE1' ' A' ' 69' ' ' TRP . 13.2 tp -60.87 -55.75 29.37 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.179 176.867 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -58.17 -40.35 81.23 Favored 'General case' 0 CA--C 1.52 -0.188 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.318 178.272 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 91.6 t80 -54.1 -57.07 12.48 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.42 -0.809 . . . . 0.0 109.919 174.325 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.41 HD13 ' H ' ' A' ' 62' ' ' SER . 96.8 mt -70.36 -5.21 26.53 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 112.101 0.408 . . . . 0.0 112.101 -177.913 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.416 ' HG2' ' O ' ' A' ' 51' ' ' LEU . 32.8 mmt180 -89.87 -46.48 8.53 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.955 0.407 . . . . 0.0 111.265 174.241 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 76.8 m-85 -93.29 -14.19 27.28 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.685 -175.646 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . 0.557 ' HA ' ' HG2' ' B' ' 46' ' ' MET . 17.0 p -112.36 -12.66 13.52 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 120.515 -0.474 . . . . 0.0 111.469 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -139.32 164.18 30.52 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 120.936 0.398 . . . . 0.0 110.893 -174.242 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 66.5 mt -91.02 -25.88 5.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-O 121.763 0.792 . . . . 0.0 110.942 -175.852 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 85.6 tttt -145.62 121.55 5.83 Favored Pre-proline 0 C--N 1.305 -1.353 0 CA-C-N 114.786 -1.097 . . . . 0.0 110.952 -178.598 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 15.3 Cg_exo -69.9 139.32 39.47 Favored 'Trans proline' 0 C--O 1.235 0.34 0 C-N-CA 122.481 2.121 . . . . 0.0 111.363 172.864 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.41 ' H ' HD13 ' A' ' 54' ' ' LEU . 29.4 t -64.81 143.34 58.01 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.148 0.499 . . . . 0.0 110.54 -179.046 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 86.0 mt -66.77 -16.35 64.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.447 -0.797 . . . . 0.0 111.889 -172.681 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -66.27 -43.6 92.55 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.584 -0.817 . . . . 0.0 111.44 174.662 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -69.3 -38.55 78.33 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 109.648 -0.501 . . . . 0.0 109.648 176.754 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 48.9 mm -62.03 -38.46 80.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.772 177.719 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 4.1 t-20 -66.27 -40.3 90.03 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.806 179.307 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 24.0 ttm180 -86.39 -10.29 54.62 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.208 0.527 . . . . 0.0 110.287 -177.191 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' TRP . . . . . 0.55 ' NE1' HD11 ' B' ' 95' ' ' ILE . 12.3 t90 -60.98 -49.42 77.51 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.316 -0.856 . . . . 0.0 110.613 -179.762 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -77.68 -6.48 86.95 Favored Glycine 0 C--N 1.329 0.188 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.131 178.15 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 32.2 t -81.75 -21.68 37.72 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 109.325 -0.62 . . . . 0.0 109.325 176.579 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 60.6 t -64.9 127.33 25.59 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.355 0 CA-C-N 115.79 -0.641 . . . . 0.0 109.372 175.318 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -63.05 121.45 24.74 Favored Glycine 0 N--CA 1.444 -0.789 0 C-N-CA 120.429 -0.891 . . . . 0.0 111.078 177.708 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.562 ' O ' ' HG3' ' A' ' 78' ' ' MET . 2.0 ptpp? -58.92 -27.03 64.89 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.708 0.254 . . . . 0.0 111.382 -176.3 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.514 ' HD3' ' C ' ' A' ' 75' ' ' LYS . 8.0 tmtm? -63.96 -60.65 2.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.445 0.64 . . . . 0.0 109.428 173.363 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 7.0 tp10 -53.9 -39.36 65.7 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 114.749 -1.114 . . . . 0.0 110.866 176.487 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.528 ' O ' HG12 ' A' ' 81' ' ' ILE . . . -56.35 -44.23 79.87 Favored 'General case' 0 N--CA 1.453 -0.3 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.663 177.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . 0.562 ' HG3' ' O ' ' A' ' 74' ' ' LYS . 62.7 mtt -58.43 -45.19 88.96 Favored 'General case' 0 CA--C 1.519 -0.238 0 N-CA-C 110.144 -0.317 . . . . 0.0 110.144 177.013 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 23.9 mm-40 -59.09 -49.39 78.07 Favored 'General case' 0 C--O 1.236 0.393 0 CA-C-O 121.429 0.633 . . . . 0.0 110.492 179.644 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 80.3 mt -63.06 -48.37 88.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 115.2 -0.909 . . . . 0.0 111.122 -179.218 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.528 HG12 ' O ' ' A' ' 77' ' ' ALA . 37.1 mm -60.33 -38.08 76.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.523 -0.308 . . . . 0.0 111.282 -177.857 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . 0.561 ' HG3' ' O ' ' A' ' 78' ' ' MET . 68.5 mttm -62.54 -45.36 93.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.776 0.322 . . . . 0.0 110.737 178.078 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 74.7 mmtt -72.27 -29.85 64.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.636 179.055 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . 0.508 ' O ' ' HG ' ' A' ' 88' ' ' LEU . 0.9 OUTLIER -63.94 -52.39 60.0 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.828 -0.624 . . . . 0.0 109.693 177.759 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -61.39 -35.85 78.65 Favored 'General case' 0 C--O 1.232 0.175 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.647 177.854 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 24.1 tptm -61.77 -46.32 90.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.67 178.367 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . 0.578 ' O ' ' HG3' ' A' ' 91' ' ' MET . 6.7 t70 -70.65 -35.35 72.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.259 -178.652 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.508 ' HG ' ' O ' ' A' ' 84' ' ' PHE . 91.4 mt -60.22 -43.33 96.11 Favored 'General case' 0 N--CA 1.463 0.217 0 CA-C-O 121.092 0.472 . . . . 0.0 110.538 176.328 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -63.26 -35.86 81.73 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.683 -0.69 . . . . 0.0 110.269 177.78 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . 0.463 ' O ' HG13 ' A' ' 94' ' ' ILE . . . -69.58 -41.11 76.24 Favored 'General case' 0 N--CA 1.45 -0.429 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.414 176.404 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' MET . . . . . 0.661 ' O ' HG12 ' A' ' 95' ' ' ILE . 67.4 mtt -53.38 -56.63 15.15 Favored 'General case' 0 CA--C 1.516 -0.336 0 N-CA-C 110.012 -0.366 . . . . 0.0 110.012 177.672 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.484 HD21 ' HG2' ' B' ' 78' ' ' MET . 47.4 tp -53.43 -48.07 69.07 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.347 -0.842 . . . . 0.0 111.264 179.422 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 43.1 ttt180 -57.29 -38.59 74.2 Favored 'General case' 0 N--CA 1.448 -0.562 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.919 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 0.623 ' O ' ' HG2' ' A' ' 98' ' ' ARG . 75.7 mt -76.59 -31.92 20.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.053 179.19 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.661 HG12 ' O ' ' A' ' 91' ' ' MET . 29.5 mm -58.89 -36.74 63.02 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.27 0 CA-C-O 121.252 0.548 . . . . 0.0 109.803 176.092 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 14.5 m120 -71.02 -39.7 72.22 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.532 175.407 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -59.61 -38.45 81.31 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.446 0.641 . . . . 0.0 110.355 177.255 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . 0.623 ' HG2' ' O ' ' A' ' 94' ' ' ILE . 12.7 ptm180 -108.53 51.54 0.74 Allowed 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 115.238 -0.892 . . . . 0.0 108.611 178.462 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . 0.558 ' CB ' ' HE2' ' B' ' 74' ' ' LYS . 52.4 pttt -53.22 -28.66 28.25 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 114.387 -1.279 . . . . 0.0 111.087 179.559 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 32.2 mm-40 43.71 35.27 1.0 Allowed 'General case' 0 N--CA 1.465 0.275 0 CA-C-N 113.471 -1.695 . . . . 0.0 113.131 174.621 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -63.32 -61.75 2.14 Favored 'General case' 0 N--CA 1.453 -0.301 0 N-CA-C 109.364 -0.606 . . . . 0.0 109.364 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . 0.463 ' O ' ' HB2' ' A' ' 103' ' ' ARG . 47.0 mtmt 49.28 67.4 0.89 Allowed 'General case' 0 C--O 1.234 0.258 0 CA-C-N 115.608 -0.724 . . . . 0.0 111.136 175.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . 0.463 ' HB2' ' O ' ' A' ' 102' ' ' LYS . 27.9 mmm180 77.26 -40.65 0.35 Allowed 'General case' 0 N--CA 1.467 0.425 0 CA-C-N 115.314 -0.857 . . . . 0.0 112.811 178.941 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 38.2 ttm180 . . . . . 0 C--O 1.246 0.91 0 CA-C-O 118.295 -0.859 . . . . 0.0 111.033 -176.832 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.134 0 CA-C-O 120.863 0.363 . . . . 0.0 110.634 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 36' ' ' GLY . . . . . . . . . . . . . . . -60.35 -37.35 92.98 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 121.137 -0.554 . . . . 0.0 112.831 -177.463 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 9.3 mp -70.75 -20.7 62.61 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 120.708 0.289 . . . . 0.0 111.493 -177.675 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 52.9 tp -94.77 -38.95 10.53 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.945 0.402 . . . . 0.0 110.845 -176.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -92.41 -7.83 46.55 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.768 -176.244 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . 79.6 39.38 18.1 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.14 179.686 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 41' ' ' HIS . . . . . . . . . . . . . 28.6 m-70 -123.02 81.84 1.92 Allowed 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 120.835 0.35 . . . . 0.0 110.344 -178.579 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 42' ' ' GLY . . . . . . . . . . . . . . . -91.37 130.7 10.42 Favored Glycine 0 N--CA 1.445 -0.731 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.233 -179.143 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 43' ' ' PRO . . . . . 0.665 ' HD2' ' SD ' ' B' ' 46' ' ' MET . 39.7 Cg_endo -67.73 170.13 14.6 Favored 'Trans proline' 0 C--O 1.233 0.258 0 C-N-CA 122.673 2.248 . . . . 0.0 112.032 176.614 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . 0.407 ' HB ' HG13 ' B' ' 72' ' ' VAL . 23.8 pt -51.87 -40.77 28.73 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.403 0 N-CA-C 113.085 0.772 . . . . 0.0 113.085 -171.59 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 17.8 ptt180 -59.8 -46.78 88.15 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-O 121.195 0.522 . . . . 0.0 110.922 178.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 46' ' ' MET . . . . . 0.665 ' SD ' ' HD2' ' B' ' 43' ' ' PRO . 59.0 mtt -65.09 -32.36 74.03 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.629 -0.714 . . . . 0.0 111.151 178.694 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 47' ' ' VAL . . . . . 0.44 HG23 ' O ' ' B' ' 43' ' ' PRO . 97.3 t -57.99 -48.82 83.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.74 0.305 . . . . 0.0 110.554 177.91 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 86.2 mt -63.41 -37.35 86.95 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.716 178.484 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -65.77 -47.59 74.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.224 178.25 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 50' ' ' ILE . . . . . 0.536 HG13 ' O ' ' B' ' 46' ' ' MET . 69.7 mt -64.78 -31.57 54.37 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.309 179.323 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 51' ' ' LEU . . . . . 0.464 HD22 ' NE1' ' B' ' 69' ' ' TRP . 13.1 tp -60.9 -55.69 30.03 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.257 176.813 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -58.1 -40.36 80.98 Favored 'General case' 0 CA--C 1.52 -0.208 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.377 178.204 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 53' ' ' PHE . . . . . . . . . . . . . 92.0 t80 -54.08 -56.96 13.13 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.331 -0.85 . . . . 0.0 109.968 174.284 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 54' ' ' LEU . . . . . 0.404 HD13 ' H ' ' B' ' 62' ' ' SER . 97.2 mt -70.55 -4.99 25.77 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 112.05 0.389 . . . . 0.0 112.05 -177.913 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 55' ' ' ARG . . . . . 0.41 ' HG2' ' O ' ' B' ' 51' ' ' LEU . 33.0 mmt180 -90.12 -46.32 8.54 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.97 0.414 . . . . 0.0 111.298 174.333 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 56' ' ' PHE . . . . . . . . . . . . . 77.0 m-85 -93.32 -14.32 27.08 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.735 -175.815 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 57' ' ' THR . . . . . 0.562 ' HA ' ' HG2' ' A' ' 46' ' ' MET . 16.6 p -112.42 -12.27 13.54 Favored 'General case' 0 C--N 1.33 -0.283 0 C-N-CA 120.505 -0.478 . . . . 0.0 111.498 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -139.48 164.79 28.95 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 120.868 0.366 . . . . 0.0 110.688 -174.394 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 59' ' ' ILE . . . . . . . . . . . . . 67.1 mt -91.87 -25.41 5.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-O 121.667 0.746 . . . . 0.0 110.967 -175.782 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 85.6 tttt -145.98 121.66 5.68 Favored Pre-proline 0 C--N 1.307 -1.27 0 CA-C-N 114.717 -1.128 . . . . 0.0 110.898 -178.851 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 61' ' ' PRO . . . . . . . . . . . . . 15.1 Cg_exo -69.89 139.27 39.36 Favored 'Trans proline' 0 N--CA 1.463 -0.31 0 C-N-CA 122.607 2.205 . . . . 0.0 111.441 172.716 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 62' ' ' SER . . . . . 0.404 ' H ' HD13 ' B' ' 54' ' ' LEU . 31.5 t -64.93 143.2 58.11 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.159 0.504 . . . . 0.0 110.57 -179.076 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 86.4 mt -66.46 -16.4 64.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.383 -0.826 . . . . 0.0 111.94 -172.776 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -66.37 -43.59 92.35 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.486 -0.864 . . . . 0.0 111.327 174.858 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -69.12 -38.77 79.05 Favored 'General case' 0 N--CA 1.452 -0.33 0 N-CA-C 109.659 -0.497 . . . . 0.0 109.659 176.78 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 66' ' ' ILE . . . . . . . . . . . . . 49.0 mm -61.81 -38.59 80.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.647 177.652 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 67' ' ' ASN . . . . . . . . . . . . . 4.2 t-20 -66.22 -40.18 90.13 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.037 -0.528 . . . . 0.0 110.799 179.459 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 68' ' ' ARG . . . . . . . . . . . . . 23.9 ttm180 -86.51 -10.28 54.43 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.255 0.55 . . . . 0.0 110.358 -177.179 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 69' ' ' TRP . . . . . 0.519 ' NE1' HD11 ' A' ' 95' ' ' ILE . 12.3 t90 -61.01 -49.5 77.16 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.265 -0.88 . . . . 0.0 110.573 -179.745 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . -77.31 -7.19 86.9 Favored Glycine 0 C--N 1.33 0.195 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.021 178.345 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 71' ' ' SER . . . . . . . . . . . . . 31.8 t -81.34 -21.76 38.92 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 109.37 -0.604 . . . . 0.0 109.37 176.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 72' ' ' VAL . . . . . 0.407 HG13 ' HB ' ' B' ' 44' ' ' ILE . 59.9 t -64.9 127.34 25.59 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.356 0 CA-C-N 115.842 -0.617 . . . . 0.0 109.408 175.34 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 73' ' ' GLY . . . . . . . . . . . . . . . -63.02 121.41 24.67 Favored Glycine 0 N--CA 1.446 -0.699 0 C-N-CA 120.336 -0.935 . . . . 0.0 111.024 177.831 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 74' ' ' LYS . . . . . 0.575 ' O ' ' HG3' ' B' ' 78' ' ' MET . 2.0 ptpp? -58.87 -26.84 64.61 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.624 0.212 . . . . 0.0 111.436 -176.495 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 75' ' ' LYS . . . . . 0.531 ' HD3' ' C ' ' B' ' 75' ' ' LYS . 8.0 tmtm? -64.36 -60.64 2.93 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 173.515 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 76' ' ' GLU . . . . . 0.401 ' O ' HG13 ' B' ' 80' ' ' ILE . 7.0 tp10 -53.62 -39.38 64.9 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 114.815 -1.084 . . . . 0.0 110.984 176.333 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 77' ' ' ALA . . . . . 0.515 ' O ' HG12 ' B' ' 81' ' ' ILE . . . -56.37 -44.4 80.11 Favored 'General case' 0 N--CA 1.454 -0.261 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.616 177.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 78' ' ' MET . . . . . 0.575 ' HG3' ' O ' ' B' ' 74' ' ' LYS . 62.9 mtt -58.39 -45.17 88.86 Favored 'General case' 0 CA--C 1.518 -0.251 0 N-CA-C 110.091 -0.337 . . . . 0.0 110.091 177.072 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 79' ' ' GLU . . . . . . . . . . . . . 22.9 mm-40 -58.98 -49.36 78.18 Favored 'General case' 0 C--O 1.236 0.367 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.494 179.616 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 80' ' ' ILE . . . . . 0.401 HG13 ' O ' ' B' ' 76' ' ' GLU . 80.4 mt -63.26 -48.31 88.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 115.207 -0.906 . . . . 0.0 111.049 -179.153 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 81' ' ' ILE . . . . . 0.515 HG12 ' O ' ' B' ' 77' ' ' ALA . 37.1 mm -60.26 -38.24 76.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.554 -0.294 . . . . 0.0 111.297 -177.925 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 82' ' ' LYS . . . . . 0.565 ' HG3' ' O ' ' B' ' 78' ' ' MET . 68.5 mttm -62.28 -45.94 91.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.75 0.31 . . . . 0.0 110.645 177.869 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 83' ' ' LYS . . . . . . . . . . . . . 74.7 mmtt -71.83 -29.82 64.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.339 -0.392 . . . . 0.0 110.695 179.3 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 84' ' ' PHE . . . . . 0.509 ' O ' ' HG ' ' B' ' 88' ' ' LEU . 0.9 OUTLIER -63.98 -52.56 59.07 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.899 -0.591 . . . . 0.0 109.58 177.711 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 85' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -61.34 -35.85 78.56 Favored 'General case' 0 C--O 1.233 0.234 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.578 178.032 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 86' ' ' LYS . . . . . . . . . . . . . 24.1 tptm -61.9 -45.81 92.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.656 178.36 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 87' ' ' ASP . . . . . 0.574 ' O ' ' HG3' ' B' ' 91' ' ' MET . 6.7 t70 -70.99 -35.38 72.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.269 -178.791 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 88' ' ' LEU . . . . . 0.509 ' HG ' ' O ' ' B' ' 84' ' ' PHE . 90.8 mt -60.31 -43.18 96.56 Favored 'General case' 0 N--CA 1.463 0.201 0 CA-C-O 121.167 0.508 . . . . 0.0 110.502 176.51 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -63.51 -35.53 80.76 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.408 177.697 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 90' ' ' ALA . . . . . 0.473 ' O ' HG13 ' B' ' 94' ' ' ILE . . . -69.71 -41.42 75.38 Favored 'General case' 0 N--CA 1.451 -0.402 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.317 176.409 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 91' ' ' MET . . . . . 0.658 ' O ' HG12 ' B' ' 95' ' ' ILE . 67.4 mtt -53.05 -56.79 13.51 Favored 'General case' 0 CA--C 1.516 -0.328 0 CA-C-N 116.295 -0.411 . . . . 0.0 109.993 177.717 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 92' ' ' LEU . . . . . 0.44 HD21 ' HG2' ' A' ' 78' ' ' MET . 47.6 tp -53.38 -48.0 69.0 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.332 -0.849 . . . . 0.0 111.248 179.465 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 93' ' ' ARG . . . . . 0.402 HH11 ' HD3' ' B' ' 93' ' ' ARG . 43.0 ttt180 -57.63 -38.32 74.82 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.826 -179.848 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 94' ' ' ILE . . . . . 0.636 ' O ' ' HG2' ' B' ' 98' ' ' ARG . 75.8 mt -76.57 -31.96 20.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 116.002 -0.544 . . . . 0.0 111.038 179.065 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 95' ' ' ILE . . . . . 0.658 HG12 ' O ' ' B' ' 91' ' ' MET . 30.2 mm -58.86 -36.67 62.44 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.301 0 CA-C-O 121.198 0.523 . . . . 0.0 109.715 176.054 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 96' ' ' ASN . . . . . . . . . . . . . 14.7 m120 -71.46 -39.0 71.24 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.601 175.568 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 97' ' ' ALA . . . . . . . . . . . . . . . -59.94 -38.47 82.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.306 0.574 . . . . 0.0 110.413 177.014 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 98' ' ' ARG . . . . . 0.636 ' HG2' ' O ' ' B' ' 94' ' ' ILE . 12.7 ptm180 -108.77 51.29 0.75 Allowed 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 108.605 -0.887 . . . . 0.0 108.605 178.596 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 99' ' ' LYS . . . . . 0.501 ' CB ' ' HE2' ' A' ' 74' ' ' LYS . 52.5 pttt -52.93 -28.9 25.64 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 114.39 -1.277 . . . . 0.0 111.072 179.455 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 100' ' ' GLU . . . . . . . . . . . . . 34.4 mm-40 44.05 35.02 1.06 Allowed 'General case' 0 N--CA 1.464 0.263 0 CA-C-N 113.5 -1.682 . . . . 0.0 113.073 174.517 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 101' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -63.35 -61.51 2.3 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 109.347 -0.612 . . . . 0.0 109.347 -179.798 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 102' ' ' LYS . . . . . 0.478 ' O ' ' HB2' ' B' ' 103' ' ' ARG . 46.8 mtmt 49.09 67.37 0.89 Allowed 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.458 -0.792 . . . . 0.0 111.057 176.094 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 103' ' ' ARG . . . . . 0.478 ' HB2' ' O ' ' B' ' 102' ' ' LYS . 27.9 mmm180 77.79 -40.92 0.33 Allowed 'General case' 0 N--CA 1.47 0.535 0 CA-C-N 115.422 -0.808 . . . . 0.0 112.71 178.726 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 104' ' ' ARG . . . . . . . . . . . . . 38.1 ttm180 . . . . . 0 C--O 1.245 0.827 0 CA-C-O 118.298 -0.858 . . . . 0.0 111.121 -177.003 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.076 0 CA-C-O 120.74 0.305 . . . . 0.0 110.41 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -58.91 -27.61 62.3 Favored Glycine 0 C--N 1.33 0.233 0 CA-C-N 116.177 -0.465 . . . . 0.0 113.051 -176.141 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.441 HD21 ' CB ' ' B' ' 57' ' ' THR . 10.6 mp -63.43 -34.51 77.9 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 120.675 0.274 . . . . 0.0 111.132 178.917 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 87.9 mt -86.76 -31.85 20.7 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.963 0.411 . . . . 0.0 110.599 -176.718 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -80.19 -16.9 53.8 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.868 178.13 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 81.28 19.76 66.07 Favored Glycine 0 N--CA 1.45 -0.419 0 C-N-CA 120.943 -0.646 . . . . 0.0 111.555 -179.313 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 7.8 t60 -116.31 65.87 0.71 Allowed 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 109.562 -0.533 . . . . 0.0 109.562 -176.722 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -115.07 152.23 18.18 Favored Glycine 0 N--CA 1.446 -0.688 0 C-N-CA 120.624 -0.798 . . . . 0.0 112.024 -178.443 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.446 ' HD2' ' SD ' ' A' ' 46' ' ' MET . 28.5 Cg_endo -63.6 157.33 51.92 Favored 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.74 2.293 . . . . 0.0 111.605 178.027 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.421 ' HA ' ' CG2' ' A' ' 47' ' ' VAL . 10.5 pt -57.86 -27.08 29.87 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 115.114 -0.948 . . . . 0.0 113.295 -170.536 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.442 ' HA ' HD13 ' A' ' 80' ' ' ILE . 9.9 ptt180 -65.28 -44.93 86.43 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.146 0.498 . . . . 0.0 110.426 174.09 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . 0.569 ' O ' HG13 ' A' ' 50' ' ' ILE . 64.2 mtt -66.4 -31.19 71.8 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.747 176.411 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.421 ' CG2' ' HA ' ' A' ' 44' ' ' ILE . 91.4 t -57.61 -49.61 79.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.804 0.335 . . . . 0.0 110.422 177.329 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 11.2 mp -67.36 -30.67 70.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.033 177.807 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -65.13 -48.38 73.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.803 0.335 . . . . 0.0 110.853 176.761 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.569 HG13 ' O ' ' A' ' 46' ' ' MET . 53.8 mt -66.36 -35.79 75.79 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.141 -0.481 . . . . 0.0 109.96 178.257 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 11.7 tp -59.21 -54.31 48.31 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.668 -0.696 . . . . 0.0 110.718 177.243 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.426 ' O ' ' HD1' ' A' ' 56' ' ' PHE . . . -60.08 -43.6 95.39 Favored 'General case' 0 CA--C 1.518 -0.278 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.224 178.936 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.42 ' HB2' ' HB2' ' B' ' 53' ' ' PHE . 36.7 t80 -48.78 -64.26 0.85 Allowed 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.497 -0.774 . . . . 0.0 110.726 175.509 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.419 ' CD1' ' HA ' ' A' ' 61' ' ' PRO . 93.2 mt -58.94 -42.4 89.72 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.598 -177.042 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 24.7 mmt180 -65.68 -49.66 67.77 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 112.204 0.446 . . . . 0.0 112.204 -178.274 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . 0.471 ' CZ ' ' HA ' ' B' ' 84' ' ' PHE . 76.5 m-85 -76.67 -7.07 54.57 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.741 0.305 . . . . 0.0 111.257 -177.696 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . 0.473 ' HA ' ' HG2' ' B' ' 46' ' ' MET . 77.3 p -105.42 9.62 33.6 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.018 0.437 . . . . 0.0 110.816 174.026 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . 60.9 34.91 19.41 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-N 115.486 -0.779 . . . . 0.0 112.399 175.908 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 58.3 mt -109.94 145.0 17.05 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 N-CA-C 109.385 -0.598 . . . . 0.0 109.385 172.707 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -59.49 126.26 81.89 Favored Pre-proline 0 N--CA 1.453 -0.297 0 N-CA-C 109.218 -0.66 . . . . 0.0 109.218 174.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . 0.508 ' O ' ' HB2' ' A' ' 65' ' ' LEU . 43.0 Cg_endo -66.9 -2.61 8.08 Favored 'Trans proline' 0 CA--C 1.529 0.242 0 C-N-CA 122.808 2.339 . . . . 0.0 113.816 -173.369 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.5 ' O ' HG12 ' A' ' 66' ' ' ILE . 43.0 t 70.95 142.72 0.05 Allowed 'General case' 0 N--CA 1.463 0.178 0 CA-C-O 121.724 0.773 . . . . 0.0 111.451 177.655 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 87.3 mt -67.59 -18.21 64.91 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.331 -0.849 . . . . 0.0 110.955 -178.682 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -70.0 -48.68 38.9 Favored Glycine 0 N--CA 1.449 -0.446 0 C-N-CA 120.865 -0.683 . . . . 0.0 111.884 177.092 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.508 ' HB2' ' O ' ' A' ' 61' ' ' PRO . 4.2 mm? -65.76 -37.83 87.4 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 110.053 -0.351 . . . . 0.0 110.053 177.904 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.5 HG12 ' O ' ' A' ' 62' ' ' SER . 50.0 mm -64.95 -33.96 67.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.616 177.647 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 10.7 t30 -65.17 -39.64 93.21 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.756 178.255 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.504 ' O ' HG23 ' A' ' 72' ' ' VAL . 54.1 mtt180 -82.51 -22.71 34.95 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.503 178.186 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' TRP . . . . . 0.532 ' NE1' HD11 ' B' ' 95' ' ' ILE . 10.5 t90 -56.43 -52.07 66.04 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.468 -0.787 . . . . 0.0 111.105 -178.446 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -76.53 -10.88 85.59 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.858 -0.687 . . . . 0.0 112.475 177.64 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 43.0 t -82.75 -22.17 34.44 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.739 0.304 . . . . 0.0 110.251 179.017 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.504 HG23 ' O ' ' A' ' 68' ' ' ARG . 48.6 t -61.71 136.42 25.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.063 177.783 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -57.42 130.83 51.57 Favored Glycine 0 N--CA 1.443 -0.849 0 N-CA-C 110.591 -1.003 . . . . 0.0 110.591 174.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.536 ' HE2' ' HA ' ' B' ' 99' ' ' LYS . 30.6 mmtm -66.82 -28.23 68.2 Favored 'General case' 0 C--N 1.319 -0.724 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 -173.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 58.2 tptt -73.34 -47.92 38.53 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.15 -0.932 . . . . 0.0 109.977 172.912 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.466 ' O ' HG13 ' A' ' 80' ' ' ILE . 19.1 tp10 -59.84 -41.35 91.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.353 -0.839 . . . . 0.0 110.588 -179.198 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.407 ' O ' HG12 ' A' ' 81' ' ' ILE . . . -56.51 -42.23 78.03 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.782 179.233 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 66.1 mtt -62.8 -39.6 94.77 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.181 178.615 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 -68.92 -40.58 78.98 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.695 179.074 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.466 HG13 ' O ' ' A' ' 76' ' ' GLU . 87.8 mt -62.07 -47.68 92.02 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.504 177.61 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.467 HG13 ' HB2' ' B' ' 92' ' ' LEU . 43.9 mm -64.09 -38.53 82.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.178 -179.555 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . 0.402 ' HD2' ' C ' ' A' ' 82' ' ' LYS . 2.6 tmmm? -61.18 -49.49 76.96 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 109.44 -0.578 . . . . 0.0 109.44 177.135 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -64.42 -36.87 85.58 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.46 -0.791 . . . . 0.0 110.586 179.626 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . 0.541 ' O ' ' HG ' ' A' ' 88' ' ' LEU . 1.6 t80 -60.53 -53.01 62.68 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.045 178.563 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -61.24 -37.34 82.73 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.053 179.717 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 26.6 tttm -57.45 -57.47 12.51 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.896 178.343 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . 0.583 ' O ' ' HG2' ' A' ' 91' ' ' MET . 0.6 OUTLIER -66.78 -30.11 70.23 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.854 -0.612 . . . . 0.0 111.289 -177.565 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.541 ' HG ' ' O ' ' A' ' 84' ' ' PHE . 62.4 mt -60.93 -43.32 98.81 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.817 0.342 . . . . 0.0 110.339 174.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -63.47 -37.2 86.38 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.657 179.243 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . 0.554 ' O ' HG13 ' A' ' 94' ' ' ILE . . . -65.89 -49.97 66.18 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.751 177.825 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' MET . . . . . 0.583 ' HG2' ' O ' ' A' ' 87' ' ' ASP . 93.8 mmm -60.82 -37.95 83.74 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.356 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.444 ' HB2' HG13 ' B' ' 81' ' ' ILE . 54.6 tp -59.81 -45.46 92.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.684 -0.689 . . . . 0.0 111.089 177.523 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 72.3 ttt180 -64.59 -30.28 71.3 Favored 'General case' 0 N--CA 1.443 -0.779 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.555 -178.338 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 0.554 HG13 ' O ' ' A' ' 90' ' ' ALA . 22.1 mt -71.18 -35.47 58.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 C-N-CA 121.01 -0.276 . . . . 0.0 110.445 176.345 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.55 HD11 ' NE1' ' B' ' 69' ' ' TRP . 13.4 mm -53.88 -48.55 62.51 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.343 0 CA-C-O 121.508 0.67 . . . . 0.0 109.335 173.589 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 3.9 t-20 -74.36 -23.26 58.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.317 -0.856 . . . . 0.0 111.211 -177.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -66.72 -38.15 86.14 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.319 0.581 . . . . 0.0 109.898 175.184 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . 0.513 ' HG2' ' O ' ' A' ' 94' ' ' ILE . 15.0 ptm180 -100.54 41.73 1.16 Allowed 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.378 -0.828 . . . . 0.0 109.435 177.662 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . 0.513 ' HA ' ' HE2' ' B' ' 74' ' ' LYS . 21.1 pttp -61.83 -29.02 69.89 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-N 115.05 -0.977 . . . . 0.0 111.649 -178.295 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . 0.421 ' HB3' ' O ' ' A' ' 99' ' ' LYS . 36.3 tt0 70.79 -57.28 0.6 Allowed 'General case' 0 N--CA 1.468 0.426 0 O-C-N 124.064 0.852 . . . . 0.0 110.269 -175.388 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 49.2 tptt 49.99 46.52 24.34 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.736 0.779 . . . . 0.0 110.95 178.753 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 46.5 mmtm -101.73 -1.83 31.6 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.409 -0.814 . . . . 0.0 108.992 173.225 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 29.8 mmt180 -109.72 -174.05 2.4 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 114.827 -1.079 . . . . 0.0 108.858 174.068 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . 0.514 ' NE ' ' HA ' ' A' ' 104' ' ' ARG . 4.1 mmp_? . . . . . 0 C--O 1.25 1.099 0 CA-C-O 118.348 -0.834 . . . . 0.0 110.58 -179.494 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.08 0 CA-C-O 120.734 0.302 . . . . 0.0 110.589 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 36' ' ' GLY . . . . . . . . . . . . . . . -58.51 -27.41 60.99 Favored Glycine 0 C--O 1.228 -0.269 0 CA-C-N 116.206 -0.452 . . . . 0.0 113.149 -176.155 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . 0.425 HD21 ' CB ' ' A' ' 57' ' ' THR . 10.6 mp -63.55 -34.75 78.49 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.614 0.245 . . . . 0.0 111.138 178.827 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 87.8 mt -86.53 -31.94 20.99 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.961 0.41 . . . . 0.0 110.614 -176.784 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -80.14 -16.63 54.48 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.805 178.157 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . 81.02 19.54 67.09 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.922 -0.656 . . . . 0.0 111.586 -179.384 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 41' ' ' HIS . . . . . . . . . . . . . 7.8 t60 -116.07 66.29 0.71 Allowed 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 109.523 -0.547 . . . . 0.0 109.523 -176.882 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 42' ' ' GLY . . . . . . . . . . . . . . . -115.39 152.16 18.17 Favored Glycine 0 N--CA 1.446 -0.697 0 C-N-CA 120.662 -0.78 . . . . 0.0 112.042 -178.551 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 43' ' ' PRO . . . . . 0.441 ' HD2' ' SD ' ' B' ' 46' ' ' MET . 28.5 Cg_endo -63.38 157.25 51.47 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.779 2.319 . . . . 0.0 111.681 177.83 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . 0.422 ' HA ' ' CG2' ' B' ' 47' ' ' VAL . 10.5 pt -57.91 -27.15 30.22 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 115.083 -0.962 . . . . 0.0 113.178 -170.502 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 45' ' ' ARG . . . . . 0.433 ' HA ' HD13 ' B' ' 80' ' ' ILE . 9.9 ptt180 -65.34 -44.84 86.45 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.121 0.486 . . . . 0.0 110.423 174.142 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 46' ' ' MET . . . . . 0.548 ' O ' HG13 ' B' ' 50' ' ' ILE . 64.4 mtt -66.36 -31.18 71.8 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.75 176.372 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 47' ' ' VAL . . . . . 0.422 ' CG2' ' HA ' ' B' ' 44' ' ' ILE . 93.2 t -57.67 -49.66 79.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.692 0.282 . . . . 0.0 110.421 177.443 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 11.2 mp -67.25 -30.75 70.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.067 177.791 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -65.17 -48.33 73.88 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.529 -0.305 . . . . 0.0 110.821 176.848 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 50' ' ' ILE . . . . . 0.548 HG13 ' O ' ' B' ' 46' ' ' MET . 53.9 mt -66.23 -35.9 76.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-O 121.104 0.478 . . . . 0.0 110.037 178.099 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 11.7 tp -59.15 -54.38 47.57 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.724 177.208 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 52' ' ' ALA . . . . . 0.42 ' O ' ' HD1' ' B' ' 56' ' ' PHE . . . -60.06 -43.58 95.31 Favored 'General case' 0 CA--C 1.518 -0.28 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.26 178.93 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 53' ' ' PHE . . . . . 0.42 ' HB2' ' HB2' ' A' ' 53' ' ' PHE . 36.6 t80 -48.79 -64.39 0.82 Allowed 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.39 -0.823 . . . . 0.0 110.692 175.57 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 54' ' ' LEU . . . . . 0.425 ' CD1' ' HA ' ' B' ' 61' ' ' PRO . 93.5 mt -58.77 -42.51 89.15 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.565 -177.106 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 55' ' ' ARG . . . . . 0.402 ' HD3' ' HA ' ' B' ' 55' ' ' ARG . 24.8 mmt180 -65.7 -49.08 69.84 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 112.395 0.516 . . . . 0.0 112.395 -178.169 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 56' ' ' PHE . . . . . 0.432 ' CZ ' ' HA ' ' A' ' 84' ' ' PHE . 76.3 m-85 -77.17 -6.84 54.49 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.778 0.323 . . . . 0.0 111.305 -177.939 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 57' ' ' THR . . . . . 0.461 ' HA ' ' HG2' ' A' ' 46' ' ' MET . 77.9 p -105.86 9.76 32.72 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.05 0.452 . . . . 0.0 110.88 174.033 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . 61.06 34.85 19.03 Favored 'General case' 0 C--O 1.236 0.367 0 CA-C-N 115.414 -0.812 . . . . 0.0 112.403 175.776 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 59' ' ' ILE . . . . . . . . . . . . . 57.4 mt -110.24 144.39 18.43 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 N-CA-C 109.543 -0.54 . . . . 0.0 109.543 172.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -59.3 126.09 80.91 Favored Pre-proline 0 C--N 1.33 -0.278 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 175.257 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 61' ' ' PRO . . . . . 0.515 ' O ' ' HB2' ' B' ' 65' ' ' LEU . 42.4 Cg_endo -66.83 -2.62 8.02 Favored 'Trans proline' 0 CA--C 1.529 0.246 0 C-N-CA 122.854 2.369 . . . . 0.0 113.857 -173.036 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 62' ' ' SER . . . . . 0.483 ' O ' HG12 ' B' ' 66' ' ' ILE . 44.7 t 71.19 142.09 0.05 Allowed 'General case' 0 N--CA 1.463 0.212 0 CA-C-O 121.658 0.742 . . . . 0.0 111.4 177.368 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 87.2 mt -67.23 -17.89 65.0 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.488 -0.778 . . . . 0.0 111.034 -178.778 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -70.12 -48.76 37.54 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.822 -0.704 . . . . 0.0 111.772 176.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 65' ' ' LEU . . . . . 0.515 ' HB2' ' O ' ' B' ' 61' ' ' PRO . 4.2 mm? -65.71 -37.95 87.85 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 110.081 -0.34 . . . . 0.0 110.081 177.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 66' ' ' ILE . . . . . 0.483 HG12 ' O ' ' B' ' 62' ' ' SER . 50.0 mm -64.84 -33.96 67.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-O 121.169 0.509 . . . . 0.0 110.757 177.602 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 67' ' ' ASN . . . . . . . . . . . . . 10.7 t30 -65.0 -39.73 93.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.769 178.115 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 68' ' ' ARG . . . . . 0.501 ' O ' HG23 ' B' ' 72' ' ' VAL . 54.6 mtt-85 -82.65 -22.67 34.57 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.459 178.398 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 69' ' ' TRP . . . . . 0.55 ' NE1' HD11 ' A' ' 95' ' ' ILE . 10.6 t90 -56.42 -52.36 64.94 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.431 -0.804 . . . . 0.0 111.067 -178.526 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . -76.09 -11.18 85.03 Favored Glycine 0 N--CA 1.45 -0.411 0 C-N-CA 120.862 -0.685 . . . . 0.0 112.5 177.558 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 71' ' ' SER . . . . . . . . . . . . . 43.9 t -82.65 -21.81 34.87 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.671 0.272 . . . . 0.0 110.271 179.039 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 72' ' ' VAL . . . . . 0.501 HG23 ' O ' ' B' ' 68' ' ' ARG . 48.4 t -61.95 136.32 25.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.018 177.715 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 73' ' ' GLY . . . . . . . . . . . . . . . -57.39 131.17 51.92 Favored Glycine 0 N--CA 1.444 -0.811 0 N-CA-C 110.585 -1.006 . . . . 0.0 110.585 174.912 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 74' ' ' LYS . . . . . 0.513 ' HE2' ' HA ' ' A' ' 99' ' ' LYS . 30.7 mmtm -67.13 -27.77 67.59 Favored 'General case' 0 C--N 1.32 -0.711 0 N-CA-C 109.387 -0.597 . . . . 0.0 109.387 -173.914 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 75' ' ' LYS . . . . . . . . . . . . . 58.2 tptt -73.92 -48.07 33.28 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.17 -0.923 . . . . 0.0 109.822 173.127 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 76' ' ' GLU . . . . . 0.487 ' O ' HG13 ' B' ' 80' ' ' ILE . 19.6 tp10 -59.68 -41.15 90.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.314 -0.857 . . . . 0.0 110.652 -179.378 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 77' ' ' ALA . . . . . 0.411 ' O ' HG12 ' B' ' 81' ' ' ILE . . . -56.6 -42.06 78.07 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.774 179.109 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 78' ' ' MET . . . . . . . . . . . . . 66.1 mtt -63.02 -39.65 95.39 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.279 178.73 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 79' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 -68.65 -41.05 79.9 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.665 178.869 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 80' ' ' ILE . . . . . 0.487 HG13 ' O ' ' B' ' 76' ' ' GLU . 87.5 mt -61.6 -47.77 91.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.556 177.506 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 81' ' ' ILE . . . . . 0.444 HG13 ' HB2' ' A' ' 92' ' ' LEU . 44.0 mm -64.22 -38.21 81.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.149 -179.519 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 82' ' ' LYS . . . . . 0.4 ' C ' ' HD2' ' B' ' 82' ' ' LYS . 2.6 tmmm? -61.56 -49.51 76.37 Favored 'General case' 0 C--O 1.234 0.242 0 N-CA-C 109.382 -0.599 . . . . 0.0 109.382 177.256 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 83' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -64.11 -37.01 85.91 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.492 -0.776 . . . . 0.0 110.583 179.514 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 84' ' ' PHE . . . . . 0.525 ' O ' ' HG ' ' B' ' 88' ' ' LEU . 1.6 t80 -60.5 -53.15 61.06 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.064 178.649 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 85' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -61.09 -37.5 82.94 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.913 179.762 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 86' ' ' LYS . . . . . . . . . . . . . 26.7 tttm -57.32 -57.58 11.99 Favored 'General case' 0 C--O 1.236 0.347 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.978 178.358 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 87' ' ' ASP . . . . . 0.587 ' O ' ' HG2' ' B' ' 91' ' ' MET . 0.6 OUTLIER -66.64 -30.25 70.48 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.193 -177.495 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 88' ' ' LEU . . . . . 0.525 ' HG ' ' O ' ' B' ' 84' ' ' PHE . 62.8 mt -60.84 -43.41 98.33 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.94 0.4 . . . . 0.0 110.395 175.008 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -63.3 -36.99 85.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.73 179.203 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 90' ' ' ALA . . . . . 0.557 ' O ' HG13 ' B' ' 94' ' ' ILE . . . -66.35 -49.68 66.13 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.741 178.124 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 91' ' ' MET . . . . . 0.587 ' HG2' ' O ' ' B' ' 87' ' ' ASP . 94.2 mmm -61.01 -37.94 84.31 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.311 179.796 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 92' ' ' LEU . . . . . 0.467 ' HB2' HG13 ' A' ' 81' ' ' ILE . 54.7 tp -59.88 -45.29 92.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.697 -0.683 . . . . 0.0 111.128 177.505 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 93' ' ' ARG . . . . . . . . . . . . . 72.3 ttt180 -64.5 -30.5 71.53 Favored 'General case' 0 N--CA 1.442 -0.86 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.58 -178.468 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 94' ' ' ILE . . . . . 0.557 HG13 ' O ' ' B' ' 90' ' ' ALA . 22.3 mt -71.13 -35.5 58.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.584 -0.28 . . . . 0.0 110.396 176.52 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 95' ' ' ILE . . . . . 0.532 HD11 ' NE1' ' A' ' 69' ' ' TRP . 13.5 mm -53.84 -48.64 61.87 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.266 0 CA-C-O 121.53 0.681 . . . . 0.0 109.36 173.687 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 96' ' ' ASN . . . . . . . . . . . . . 4.3 t-20 -74.63 -22.45 58.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.25 -0.886 . . . . 0.0 111.143 -177.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 97' ' ' ALA . . . . . . . . . . . . . . . -67.45 -37.61 83.22 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.347 0.594 . . . . 0.0 109.983 175.19 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 98' ' ' ARG . . . . . 0.52 ' HG2' ' O ' ' B' ' 94' ' ' ILE . 15.0 ptm180 -100.87 41.83 1.16 Allowed 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.198 -0.91 . . . . 0.0 109.353 177.429 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 99' ' ' LYS . . . . . 0.536 ' HA ' ' HE2' ' A' ' 74' ' ' LYS . 21.1 pttp -61.89 -28.98 69.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.169 -0.923 . . . . 0.0 111.707 -178.222 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 100' ' ' GLU . . . . . 0.426 ' HB3' ' O ' ' B' ' 99' ' ' LYS . 37.3 tt0 70.85 -57.83 0.58 Allowed 'General case' 0 N--CA 1.466 0.368 0 O-C-N 124.001 0.813 . . . . 0.0 110.197 -175.286 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 101' ' ' LYS . . . . . . . . . . . . . 49.2 tptt 50.01 46.37 24.5 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-O 121.699 0.761 . . . . 0.0 111.059 178.804 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 102' ' ' LYS . . . . . . . . . . . . . 46.6 mmtm -101.64 -1.78 31.93 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.265 -0.88 . . . . 0.0 109.051 173.061 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 103' ' ' ARG . . . . . . . . . . . . . 28.8 mmt180 -109.77 -174.2 2.44 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 114.734 -1.121 . . . . 0.0 108.861 173.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 104' ' ' ARG . . . . . 0.531 ' HA ' ' NE ' ' B' ' 104' ' ' ARG . 4.1 mmp_? . . . . . 0 C--O 1.249 1.026 0 CA-C-O 118.169 -0.92 . . . . 0.0 110.391 -179.642 . . . . . . . . 1 1 . 1 stop_ save_