data_2ncn_residue save_MolProbity _Software.Sf_category software _Software.Sf_framecode MolProbity _Software.Entry_ID ? _Software.ID 1 _Software.Name MolProbity _Software.Version 4.0 _Software.Details . save_ save_CYRANGE _Software.Sf_category software _Software.Sf_framecode CYRANGE _Software.Entry_ID ? _Software.ID 2 _Software.Name CYRANGE _Software.Version 2.0 _Software.Details . save_ save_Structure_validation_residue _Structure_validation_residue.Sf_category structure_validation _Structure_validation_residue.Sf_framecode Structure_validation_residue _Structure_validation_residue.Entry_ID ? _Structure_validation_residue.List_ID 1 _Structure_validation_residue.PDB_accession_code 2ncn _Structure_validation_residue.Date_analyzed 2017-04-14 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 full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.757 0 N-CA-C 111.858 -0.497 . . . . 29.92 111.858 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 29.3 t -93.41 92.05 7.46 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 121.013 0.435 . . . . 30.07 110.331 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 71.7 mtm -97.17 115.01 65.62 Favored Pre-proline 0 C--N 1.327 -0.396 0 CA-C-N 116.169 -0.468 . . . . 27.45 110.039 175.33 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 58.1 Cg_endo -72.03 137.4 29.05 Favored 'Trans proline' 0 CA--C 1.529 0.258 0 C-N-CA 122.776 2.318 . . . . 25.18 112.375 -178.39 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 57.8 Cg_endo -72.18 121.04 7.18 Favored 'Trans proline' 0 N--CA 1.464 -0.262 0 C-N-CA 122.483 2.122 . . . . 23.6 111.881 178.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 24.1 Cg_exo -62.66 137.52 64.37 Favored 'Trans proline' 0 N--CA 1.462 -0.358 0 C-N-CA 122.345 2.03 . . . . 21.97 111.613 177.676 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 85.3 mm-40 -92.13 139.56 30.51 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 116.33 -0.395 . . . . 21.07 110.427 -179.231 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 65.8 mttm 61.68 82.28 0.17 Allowed 'General case' 0 C--N 1.33 -0.245 0 O-C-N 123.952 0.783 . . . . 19.2 110.923 -179.854 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 32.1 mt -113.36 83.59 6.82 Favored Pre-proline 0 C--N 1.327 -0.381 0 CA-C-N 116.201 -0.454 . . . . 16.54 110.473 179.245 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 96.5 Cg_endo -90.67 -159.94 0.09 OUTLIER 'Trans proline' 0 N--CA 1.448 -1.151 0 C-N-CA 122.648 2.232 . . . . 16.01 111.563 178.075 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 18.8 m -68.89 170.95 8.72 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.599 -0.273 . . . . 13.99 110.342 175.868 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 97.7 t -59.3 -54.6 32.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-O 121.165 0.507 . . . . 12.46 110.329 179.559 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 26.4 ptt180 -138.23 79.55 31.01 Favored Pre-proline 0 C--N 1.321 -0.644 0 CA-C-N 115.613 -0.721 . . . . 12.68 110.058 177.315 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 17.3 Cg_exo -64.82 -37.06 36.98 Favored 'Trans proline' 0 C--N 1.347 0.461 0 C-N-CA 122.723 2.282 . . . . 9.51 111.222 -178.776 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 52.5 m-85 -119.41 141.44 49.09 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.025 -0.989 . . . . 10.27 108.984 177.046 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 54.2 tttm -79.41 67.22 5.09 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 108.782 -0.822 . . . . 8.86 108.782 174.312 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 29.8 tt0 -137.73 -77.11 0.39 Allowed 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.433 -0.803 . . . . 6.88 109.992 -176.004 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 1.9 tmm_? 46.98 77.99 0.08 Allowed 'General case' 0 N--CA 1.464 0.259 0 O-C-N 124.069 0.856 . . . . 7.52 110.77 178.512 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.491 ' HE3' ' HG2' ' A' ' 22' ' ' ARG . 27.8 mtpp -102.92 121.03 41.68 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 116.394 -0.366 . . . . 4.57 110.376 -179.344 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' SER . . . . . 0.653 ' O ' ' HG3' ' A' ' 22' ' ' ARG . 81.0 p -87.85 166.81 14.3 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 109.044 -0.725 . . . . 1.06 109.044 176.646 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 49.6 tp -53.58 -48.59 69.04 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.416 0.627 . . . . 1.73 109.821 -179.042 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -59.28 -52.52 65.29 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 114.688 -1.142 . . . . 1.6 112.114 177.109 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 29.7 mm -59.89 -33.25 52.0 Favored 'Isoleucine or valine' 0 C--O 1.234 0.246 0 CA-C-O 120.955 0.407 . . . . 2.15 111.12 -179.437 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.653 ' HG3' ' O ' ' A' ' 18' ' ' SER . 87.6 mtt180 -65.78 -43.24 89.38 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 109.279 -0.637 . . . . 3.15 109.279 179.818 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 78.7 mt-30 -63.86 -32.21 73.65 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.404 -0.816 . . . . 2.41 110.645 176.566 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 52.4 mt-10 -74.06 -52.05 13.86 Favored 'General case' 0 CA--C 1.516 -0.341 0 CA-C-O 120.699 0.285 . . . . 2.83 111.311 -177.797 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . 0.435 ' O ' HG13 ' A' ' 29' ' ' ILE . 41.3 tt0 -59.8 -45.07 93.46 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.144 -0.48 . . . . 2.3 110.188 178.32 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -62.92 -37.43 79.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.816 0.341 . . . . 1.92 110.417 178.937 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -61.55 -46.4 90.09 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.917 -0.583 . . . . 1.17 110.615 176.082 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -63.2 -47.27 89.53 Favored Glycine 0 N--CA 1.45 -0.415 0 C-N-CA 120.737 -0.744 . . . . 0.65 112.063 176.432 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.435 HG13 ' O ' ' A' ' 25' ' ' GLU . 96.7 mt -59.03 -47.4 90.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 C-N-CA 122.244 0.218 . . . . 1.26 111.369 -179.888 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 22.0 mtp180 -60.13 -39.21 85.48 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.727 0.299 . . . . 3.86 111.565 -179.026 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -77.9 -40.76 38.79 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 120.829 0.347 . . . . 1.35 111.447 -177.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 86.3 tttt -79.21 -35.43 41.71 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.11 -0.496 . . . . 3.46 111.299 -175.511 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.4 ' HB3' ' HB2' ' A' ' 36' ' ' LYS . 60.5 m-85 -130.55 81.14 68.6 Favored Pre-proline 0 C--N 1.325 -0.48 0 CA-C-N 116.577 -0.283 . . . . 2.26 110.547 -179.585 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 28.1 Cg_endo -62.91 -24.86 74.2 Favored 'Trans proline' 0 C--N 1.344 0.315 0 C-N-CA 122.613 2.208 . . . . 0.97 112.783 -179.672 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 15.8 m120 -89.98 -10.25 45.71 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.146 -0.479 . . . . 2.39 111.513 -177.315 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.4 ' HB2' ' HB3' ' A' ' 33' ' ' PHE . 5.0 mptp? -107.46 150.37 26.87 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.04 0.448 . . . . 2.46 111.221 -177.746 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 90.9 mt -130.38 126.43 22.12 Favored Pre-proline 0 C--N 1.322 -0.616 0 CA-C-N 115.698 -0.683 . . . . 1.2 110.115 179.384 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 87.2 Cg_endo -81.49 113.47 2.6 Favored 'Trans proline' 0 C--O 1.238 0.505 0 C-N-CA 122.758 2.305 . . . . 0.72 112.918 179.855 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.412 HG13 ' HB ' ' A' ' 115' ' ' VAL . 19.0 m -110.26 148.41 13.81 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 CA-C-N 115.806 -0.633 . . . . 2.06 110.047 176.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 43.9 t -118.47 112.99 40.45 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 N-CA-C 109.577 -0.527 . . . . 1.13 109.577 178.789 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 48.3 t -102.26 117.44 47.61 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 CA-C-O 120.99 0.424 . . . . 1.7 110.605 -177.178 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -111.62 150.79 29.6 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.802 -0.635 . . . . 2.43 109.965 179.826 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 3.2 ptm180 -79.02 144.44 34.67 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 109.792 -0.447 . . . . 3.01 109.792 179.678 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . 0.413 ' HB2' ' HB1' ' A' ' 120' ' ' ALA . 9.0 t80 -64.99 124.09 85.69 Favored Pre-proline 0 C--N 1.322 -0.621 0 CA-C-N 115.637 -0.71 . . . . 2.55 109.826 -179.484 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . 0.411 ' HD3' ' HA ' ' A' ' 44' ' ' TYR . 34.2 Cg_exo -59.23 -24.52 74.44 Favored 'Trans proline' 0 C--N 1.348 0.506 0 C-N-CA 123.121 2.547 . . . . 1.68 113.381 -176.21 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.432 ' O ' ' HZ ' ' A' ' 125' ' ' PHE . 0.8 OUTLIER -92.75 -13.08 29.76 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 120.739 0.304 . . . . 4.72 110.673 179.167 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.404 ' CB ' ' HB3' ' A' ' 44' ' ' TYR . 8.2 tp10 -77.68 137.19 38.38 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.17 0.51 . . . . 2.56 110.441 -178.882 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 12.0 m -128.92 -15.81 4.24 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.744 -0.662 . . . . 4.11 111.143 -179.62 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 97.0 m-85 -74.43 -50.48 18.25 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-O 120.982 0.42 . . . . 6.11 110.503 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 87.4 mt -90.85 113.62 58.6 Favored Pre-proline 0 C--N 1.327 -0.39 0 CA-C-N 115.76 -0.655 . . . . 2.09 110.986 -177.09 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -76.91 163.55 30.98 Favored 'Trans proline' 0 C--O 1.234 0.322 0 C-N-CA 123.202 2.601 . . . . 2.13 112.233 178.762 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 56.3 Cg_exo -49.74 137.16 34.63 Favored 'Trans proline' 0 C--N 1.349 0.578 0 C-N-CA 123.279 2.653 . . . . 1.36 112.4 178.387 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 76.4 mt -74.66 174.18 9.44 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.177 -0.465 . . . . 1.77 111.595 -177.169 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -65.26 -46.48 80.34 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.208 0.528 . . . . 2.12 110.076 177.029 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 34.6 mmtp -117.29 147.25 42.73 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.524 -0.762 . . . . 3.06 109.883 -179.56 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 27.7 m -102.38 -31.5 10.46 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 121.193 0.521 . . . . 1.57 110.427 177.727 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 35.2 mtmm -110.92 131.81 54.73 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.212 -0.449 . . . . 2.69 110.319 -179.609 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 95.0 m-85 -125.94 121.31 32.75 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 116.264 -0.425 . . . . 2.56 110.535 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 7.5 mp -95.82 103.04 14.9 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 108.707 -0.849 . . . . 2.74 108.707 172.13 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 16.2 m -117.62 156.3 49.6 Favored Pre-proline 0 C--N 1.32 -0.705 0 CA-C-N 115.856 -0.611 . . . . 1.34 111.083 -173.148 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 27.7 Cg_endo -62.86 146.1 94.86 Favored 'Trans proline' 0 N--CA 1.465 -0.193 0 C-N-CA 122.75 2.3 . . . . 1.12 111.861 176.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 9.6 pt20 -73.21 -14.47 61.35 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.29 -0.414 . . . . 1.73 110.975 -177.283 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -82.78 -7.93 59.62 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.264 -0.425 . . . . 3.07 110.367 178.255 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -72.18 142.69 49.05 Favored 'General case' 0 N--CA 1.448 -0.557 0 CA-C-N 115.876 -0.602 . . . . 2.05 109.465 -178.127 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 27.9 p -100.38 159.2 15.33 Favored 'General case' 0 C--N 1.316 -0.886 0 CA-C-N 115.72 -0.673 . . . . 1.39 111.861 -178.61 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 79.8 mmm -55.45 -41.19 72.53 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.214 -0.448 . . . . 1.66 110.935 176.358 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 7.7 t -67.04 -41.68 86.12 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.372 -0.376 . . . . 1.84 111.503 -177.305 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 77.6 mm-40 -74.51 -29.31 61.36 Favored 'General case' 0 C--N 1.33 -0.241 0 C-N-CA 120.587 -0.445 . . . . 2.62 111.058 179.053 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . 0.465 ' CE2' HD13 ' A' ' 73' ' ' ILE . 43.3 t80 -70.01 -38.07 75.85 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 109.286 -0.635 . . . . 2.24 109.286 177.017 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 17.7 tp -54.55 -44.7 73.12 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 114.979 -1.01 . . . . 2.05 110.248 174.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 10.2 m -60.38 -41.17 93.25 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.404 -0.817 . . . . 1.89 110.784 177.654 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 74.4 mt -63.38 -44.76 99.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.379 -0.373 . . . . 1.17 110.476 178.694 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.465 HD13 ' CE2' ' A' ' 69' ' ' PHE . 73.1 mt -59.65 -45.25 94.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.099 -0.5 . . . . 1.8 111.006 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 40.9 ttm180 -63.41 -31.0 72.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.36 -0.382 . . . . 3.63 110.626 178.618 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 19.8 m -77.48 -28.07 52.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.101 -0.499 . . . . 1.79 110.53 179.868 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . 0.591 ' HA ' ' NE ' ' A' ' 76' ' ' ARG . 2.3 tpm_? -89.87 3.0 54.32 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.099 -0.5 . . . . 3.54 110.759 -177.023 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 62.0 mtt -66.91 135.03 53.21 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.011 -0.541 . . . . 1.55 110.333 176.006 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 35.2 m -77.64 -15.14 14.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-O 121.092 0.472 . . . . 2.38 110.329 176.407 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 37.8 tp -105.67 137.17 43.98 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.754 -0.657 . . . . 2.86 109.311 175.202 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . 0.437 HH11 ' HD2' ' A' ' 80' ' ' ARG . 21.7 ttt180 -78.64 119.56 22.07 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 109.791 -0.448 . . . . 5.06 109.791 178.188 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -159.12 132.05 7.0 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.169 -0.469 . . . . 3.52 110.769 -178.787 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 14.5 t -103.97 14.66 30.25 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 121.765 0.793 . . . . 4.81 109.123 175.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 38.5 mm-40 -66.16 157.3 31.64 Favored 'General case' 0 C--O 1.237 0.415 0 CA-C-N 114.956 -1.02 . . . . 3.64 111.825 -177.687 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -80.41 139.6 36.41 Favored 'General case' 0 N--CA 1.446 -0.637 0 CA-C-N 115.17 -0.923 . . . . 1.72 109.538 176.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . 0.577 ' HA ' ' O ' ' A' ' 121' ' ' SER . 5.0 p90 -152.53 150.47 29.61 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 116.318 -0.401 . . . . 2.21 110.263 -179.037 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 98.1 m-85 -101.37 133.84 45.36 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 115.99 -0.55 . . . . 3.6 110.984 -175.378 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.516 HD11 ' SD ' ' A' ' 117' ' ' MET . 3.3 tm? -103.14 111.18 23.43 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 108.471 -0.937 . . . . 2.15 108.471 172.488 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 58.4 mt -100.99 136.39 40.91 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.961 -0.563 . . . . 2.17 109.891 -177.893 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.432 ' HB ' ' HB3' ' A' ' 93' ' ' SER . 18.9 t -102.15 129.48 53.47 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 N-CA-C 109.739 -0.467 . . . . 2.0 109.739 179.405 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 6.7 t-20 58.52 29.67 18.69 Favored 'General case' 0 CA--C 1.531 0.215 0 CA-C-N 115.712 -0.676 . . . . 2.3 109.712 -175.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 43.9 m-80 59.0 21.44 9.3 Favored 'General case' 0 N--CA 1.467 0.417 0 CA-C-N 115.072 -0.967 . . . . 2.77 112.199 179.41 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 34.3 mmtp -136.81 -54.69 0.72 Allowed 'General case' 0 N--CA 1.464 0.227 0 N-CA-C 112.145 0.424 . . . . 4.32 112.145 -176.498 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' SER . . . . . 0.432 ' HB3' ' HB ' ' A' ' 89' ' ' VAL . 13.0 t -63.49 143.5 57.77 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.347 -0.388 . . . . 2.66 111.193 -173.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 96.0 mt -89.26 177.95 6.47 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.958 -0.565 . . . . 2.59 110.449 -179.418 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 9.8 t -81.42 75.37 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 116.174 -0.467 . . . . 4.86 111.115 -174.854 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 11.1 m -70.56 99.57 1.66 Allowed 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.126 -0.488 . . . . 2.11 109.705 175.821 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 89.5 mtp -60.54 -28.29 68.31 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.06 -0.518 . . . . 3.31 111.934 -172.808 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 18.9 m -89.96 -4.38 57.51 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.342 -0.39 . . . . 1.92 111.323 -175.626 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -84.73 133.26 34.37 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.995 0.426 . . . . 1.15 110.883 -178.591 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' THR . . . . . 0.505 ' O ' HG12 ' A' ' 104' ' ' ILE . 44.0 p -93.98 158.49 15.61 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.809 -0.632 . . . . 1.1 110.91 178.951 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -57.21 -32.03 66.08 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.467 -0.333 . . . . 1.58 110.66 175.208 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -56.89 -52.16 66.24 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.223 -0.444 . . . . 1.13 110.876 177.491 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 25.1 mt-10 -64.28 -46.27 84.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.778 -0.646 . . . . 0.53 110.677 178.384 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . 0.505 HG12 ' O ' ' A' ' 100' ' ' THR . 47.4 mm -57.34 -42.59 80.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 115.365 -0.834 . . . . 1.25 111.401 -178.259 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' TYR . . . . . 0.421 ' O ' ' HB2' ' A' ' 109' ' ' LYS . 20.8 t80 -63.16 -48.36 78.75 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.891 0.377 . . . . 2.48 111.092 -179.721 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 74.6 mtp180 -65.67 -25.32 67.29 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.163 -0.471 . . . . 4.9 111.502 -177.631 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . 0.42 ' HB3' ' CD2' ' A' ' 108' ' ' TYR . 7.2 t70 -92.67 -43.78 8.91 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.935 0.397 . . . . 1.77 111.634 -176.046 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' TYR . . . . . 0.42 ' CD2' ' HB3' ' A' ' 107' ' ' ASP . 49.2 m-85 -113.59 21.79 14.73 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 112.656 0.613 . . . . 2.24 112.656 -171.305 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . 0.421 ' HB2' ' O ' ' A' ' 105' ' ' TYR . 37.9 ttpt -57.79 126.39 27.19 Favored 'General case' 0 C--O 1.235 0.325 0 N-CA-C 110.189 -0.3 . . . . 2.32 110.189 174.527 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -84.27 -176.04 6.07 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.473 -0.331 . . . . 1.35 110.4 -178.208 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 -69.94 -23.39 63.19 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.154 0.502 . . . . 2.97 110.972 -176.708 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . 0.437 ' HB2' ' HB3' ' A' ' 22' ' ' ARG . 4.4 p30 -92.02 -11.85 34.84 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 116.105 -0.498 . . . . 0.77 111.194 -179.087 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . 0.405 ' O ' ' HE1' ' A' ' 105' ' ' TYR . . . 102.28 -5.47 52.42 Favored Glycine 0 N--CA 1.448 -0.558 0 C-N-CA 120.809 -0.71 . . . . 0.5 113.243 176.387 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 73.3 m-85 -93.79 162.06 14.08 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.01 0.433 . . . . 2.18 110.982 -179.618 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . 0.412 ' HB ' HG13 ' A' ' 39' ' ' VAL . 47.6 t -105.99 114.27 44.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 115.828 -0.624 . . . . 1.72 109.553 174.683 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' TYR . . . . . . . . . . . . . 75.3 m-85 -96.54 128.3 43.34 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 121.381 0.61 . . . . 2.21 111.118 -176.471 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' MET . . . . . 0.516 ' SD ' HD11 ' A' ' 87' ' ' LEU . 61.8 mtt -126.14 148.74 49.33 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.242 -0.89 . . . . 1.89 110.245 -177.177 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 17.3 m -128.22 133.51 48.86 Favored 'General case' 0 C--N 1.315 -0.911 0 N-CA-C 109.459 -0.571 . . . . 1.57 109.459 -178.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 16.2 p90 -120.42 142.24 49.4 Favored 'General case' 0 C--N 1.323 -0.577 0 C-N-CA 120.604 -0.439 . . . . 2.0 111.347 -177.064 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . 0.413 ' HB1' ' HB2' ' A' ' 44' ' ' TYR . . . -152.93 151.02 29.87 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.552 -0.749 . . . . 1.41 109.436 176.075 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 121' ' ' SER . . . . . 0.577 ' O ' ' HA ' ' A' ' 85' ' ' PHE . 22.7 t -60.68 -57.14 13.96 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.022 0.439 . . . . 3.18 109.824 -177.677 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 46.3 mt-30 -139.07 130.25 26.73 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 116.034 -0.53 . . . . 4.9 109.751 178.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -71.87 126.76 30.55 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 109.428 -0.582 . . . . 6.07 109.428 178.19 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 6.8 m 72.13 -0.64 3.17 Favored 'General case' 0 CA--C 1.536 0.428 0 CA-C-N 115.828 -0.624 . . . . 7.08 110.424 -176.236 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 125' ' ' PHE . . . . . 0.432 ' HZ ' ' O ' ' A' ' 46' ' ' ARG . 90.8 m-85 66.6 -66.65 0.17 Allowed 'General case' 0 N--CA 1.468 0.464 0 C-N-CA 123.858 0.863 . . . . 8.93 112.06 178.675 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.041 0 CA-C-O 118.639 -1.09 . . . . 10.03 111.809 -178.593 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.669 0 N-CA-C 111.686 -0.566 . . . . 29.92 111.686 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 47.6 t -72.56 -58.04 3.68 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.813 0.339 . . . . 30.07 110.444 -179.36 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 50.9 ttm -83.93 118.15 70.56 Favored Pre-proline 0 C--N 1.325 -0.487 0 CA-C-N 116.405 -0.361 . . . . 27.45 110.53 -178.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 31.2 Cg_exo -59.0 135.34 65.91 Favored 'Trans proline' 0 C--N 1.343 0.267 0 C-N-CA 122.937 2.425 . . . . 25.18 111.999 178.547 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 17.8 Cg_endo -59.0 121.68 10.35 Favored 'Trans proline' 0 C--O 1.235 0.336 0 C-N-CA 122.85 2.367 . . . . 23.6 112.121 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 48.8 Cg_exo -57.03 -35.52 98.96 Favored 'Trans proline' 0 C--N 1.346 0.441 0 C-N-CA 123.492 2.795 . . . . 21.97 112.618 -179.763 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 24.5 tt0 -102.32 94.88 5.94 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.396 -0.366 . . . . 21.07 110.083 176.477 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 27.4 tptp -141.94 90.26 2.25 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.093 0.473 . . . . 19.2 109.953 178.229 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 8.0 tt -117.33 131.67 23.92 Favored Pre-proline 0 C--N 1.32 -0.704 0 CA-C-N 115.843 -0.617 . . . . 16.54 110.361 -177.501 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 19.0 Cg_endo -59.66 96.69 0.1 OUTLIER 'Trans proline' 0 C--O 1.237 0.432 0 C-N-CA 122.814 2.343 . . . . 16.01 112.237 178.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 19.1 m -80.78 60.51 4.08 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.009 -0.541 . . . . 13.99 110.759 -178.538 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 27.2 m -79.44 148.95 5.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-N 116.172 -0.467 . . . . 12.46 110.459 178.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 77.1 mtm180 -133.99 89.24 29.75 Favored Pre-proline 0 C--N 1.322 -0.605 0 CA-C-N 116.127 -0.488 . . . . 12.68 109.873 -178.493 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 32.1 Cg_exo -58.41 103.07 0.15 Allowed 'Trans proline' 0 C--O 1.233 0.236 0 C-N-CA 122.895 2.397 . . . . 9.51 112.255 -179.515 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 62.6 m-85 58.45 78.33 0.26 Allowed 'General case' 0 C--O 1.233 0.207 0 O-C-N 123.81 0.694 . . . . 10.27 111.252 -179.778 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 64.7 tttp -75.83 106.37 7.37 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.85 0.357 . . . . 8.86 110.272 177.167 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 53.9 mt-30 -79.1 160.95 26.84 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.241 -0.436 . . . . 6.88 110.323 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 88.0 mtm180 65.32 176.95 0.2 Allowed 'General case' 0 N--CA 1.466 0.328 0 O-C-N 123.415 0.447 . . . . 7.52 110.851 -175.152 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 74.8 mmtt -119.05 124.21 46.38 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.772 0.32 . . . . 4.57 110.448 -176.388 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' SER . . . . . 0.59 ' O ' ' HG2' ' A' ' 22' ' ' ARG . 82.8 p -81.65 177.09 9.12 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.145 -0.479 . . . . 1.06 110.108 178.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.411 ' O ' ' HG2' ' A' ' 23' ' ' GLN . 43.1 tp -57.99 -48.14 80.91 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.378 0.609 . . . . 1.73 109.685 177.719 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -56.97 -43.85 82.06 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 114.965 -1.016 . . . . 1.6 111.525 177.169 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.428 HG12 ' OG ' ' A' ' 18' ' ' SER . 49.7 mm -70.14 -29.59 40.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 C-N-CA 120.389 -0.524 . . . . 2.15 110.726 179.397 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.59 ' HG2' ' O ' ' A' ' 18' ' ' SER . 42.4 mmt180 -65.11 -36.58 84.75 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 109.194 -0.669 . . . . 3.15 109.194 177.626 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . 0.627 ' OE1' ' HA ' ' A' ' 112' ' ' ASP . 14.5 mm100 -60.35 -38.92 85.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.285 -0.871 . . . . 2.41 110.001 175.265 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 51.6 mt-10 -73.84 -46.53 44.48 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.972 -0.558 . . . . 2.83 111.88 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 11.2 mm-40 -56.85 -49.14 76.37 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.766 -0.652 . . . . 2.3 111.138 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -67.5 -37.41 78.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-O 121.294 0.569 . . . . 1.92 110.372 -178.656 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -59.62 -47.1 86.93 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.073 -0.967 . . . . 1.17 110.971 177.306 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -68.43 -42.85 80.63 Favored Glycine 0 N--CA 1.449 -0.483 0 C-N-CA 121.034 -0.603 . . . . 0.65 112.346 179.687 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 84.1 mt -61.84 -50.67 79.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 N-CA-C 111.378 0.14 . . . . 1.26 111.378 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 28.3 mtm180 -69.12 -24.55 64.13 Favored 'General case' 0 C--N 1.329 -0.295 0 C-N-CA 121.149 -0.22 . . . . 3.86 111.354 -176.844 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -75.66 -39.12 58.15 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.901 0.381 . . . . 1.35 110.932 178.329 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 17.7 tppt? -87.02 -40.49 14.68 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.341 -0.39 . . . . 3.46 111.067 -177.745 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 63.2 m-85 -122.9 86.42 50.49 Favored Pre-proline 0 C--N 1.323 -0.565 0 CA-C-N 116.617 -0.265 . . . . 2.26 110.917 -176.894 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 17.2 Cg_exo -66.52 -26.75 46.81 Favored 'Trans proline' 0 C--O 1.233 0.256 0 C-N-CA 122.612 2.208 . . . . 0.97 112.925 178.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 63.2 t30 -92.95 -11.03 34.35 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.947 0.403 . . . . 2.39 110.852 -177.572 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.422 ' HB3' ' HB3' ' A' ' 59' ' ' LEU . 75.1 mmtt -102.81 113.98 27.85 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.051 0.453 . . . . 2.46 110.651 -179.18 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 83.5 mt -91.11 126.7 54.27 Favored Pre-proline 0 C--N 1.317 -0.846 0 CA-C-N 115.857 -0.61 . . . . 1.2 110.59 -178.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 68.1 Cg_endo -76.03 103.31 1.72 Allowed 'Trans proline' 0 C--O 1.239 0.561 0 C-N-CA 122.696 2.264 . . . . 0.72 112.815 179.692 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 32.9 m -109.49 144.79 17.11 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.684 0 CA-C-N 115.923 -0.581 . . . . 2.06 110.153 176.753 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 60.0 t -118.51 123.34 71.4 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-N 116.276 -0.42 . . . . 1.13 110.147 -179.422 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 61.9 t -101.79 116.67 45.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-O 121.068 0.461 . . . . 1.7 110.458 -179.109 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.477 ' O ' ' HA ' ' A' ' 118' ' ' THR . 52.9 mm-40 -111.53 139.04 47.29 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.577 -0.738 . . . . 2.43 110.713 -177.185 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.417 HH11 ' HD2' ' A' ' 43' ' ' ARG . 49.6 mtm180 -73.2 137.89 45.3 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.044 -0.526 . . . . 3.01 110.006 176.437 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 12.3 t80 -67.55 135.08 92.77 Favored Pre-proline 0 C--N 1.325 -0.487 0 CA-C-N 116.312 -0.404 . . . . 2.55 110.445 -177.773 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 59.2 Cg_exo -54.2 -29.59 57.35 Favored 'Trans proline' 0 C--N 1.348 0.545 0 C-N-CA 123.244 2.629 . . . . 1.68 112.905 178.475 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 18.5 mmm180 -114.57 46.91 1.31 Allowed 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 109.324 -0.621 . . . . 4.72 109.324 177.223 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -69.53 154.61 41.74 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.222 -0.899 . . . . 2.56 111.83 -177.791 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -83.98 34.6 0.51 Allowed 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 114.785 -1.098 . . . . 4.11 110.997 178.744 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 91.7 m-85 58.32 69.83 0.7 Allowed 'General case' 0 C--O 1.234 0.283 0 CA-C-N 116.196 -0.457 . . . . 6.11 110.174 -172.775 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.406 HD12 ' N ' ' A' ' 121' ' ' SER . 3.1 tt -103.18 121.68 47.98 Favored Pre-proline 0 C--N 1.322 -0.594 0 CA-C-N 115.745 -0.661 . . . . 2.09 109.45 -174.731 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . 0.414 ' CG ' ' HB2' ' A' ' 79' ' ' LEU . 80.3 Cg_exo -46.8 122.51 6.1 Favored 'Trans proline' 0 C--O 1.234 0.309 0 C-N-CA 123.279 2.653 . . . . 2.13 113.475 179.465 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 48.1 Cg_exo -56.47 161.6 9.31 Favored 'Trans proline' 0 C--N 1.345 0.384 0 C-N-CA 123.026 2.484 . . . . 1.36 111.649 175.484 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 77.4 mt -99.41 163.15 12.65 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 116.392 -0.367 . . . . 1.77 111.965 -174.724 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -53.66 -43.01 68.46 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.515 -0.766 . . . . 2.12 110.839 177.437 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 55.4 mtpt -129.5 160.61 32.67 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.898 -0.592 . . . . 3.06 110.057 -179.724 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 23.5 m -106.43 -35.32 7.14 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.069 -0.514 . . . . 1.57 109.698 174.43 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 58.8 mtpt -92.67 116.64 29.2 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.578 -0.737 . . . . 2.69 109.788 175.638 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 73.4 m-85 -114.85 125.22 53.41 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 121.015 0.436 . . . . 2.56 110.858 178.25 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.422 ' HB3' ' HB3' ' A' ' 36' ' ' LYS . 10.1 mp -94.79 103.41 15.3 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 108.837 -0.801 . . . . 2.74 108.837 174.033 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 15.6 m -110.43 147.1 35.66 Favored Pre-proline 0 C--N 1.322 -0.629 0 CA-C-N 115.951 -0.568 . . . . 1.34 111.731 -173.071 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 35.5 Cg_exo -60.1 145.46 98.39 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.828 2.352 . . . . 1.12 112.137 176.279 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 9.8 tt0 -58.47 -33.47 69.8 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.122 -0.945 . . . . 1.73 112.233 -177.187 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -99.95 11.61 38.86 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.822 0.344 . . . . 3.07 111.601 -177.582 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.63 ' O ' ' HG2' ' A' ' 101' ' ' MET . 2.2 tm? -73.37 121.43 20.45 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 108.708 -0.849 . . . . 2.05 108.708 177.645 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' THR . . . . . 0.439 ' HA ' ' HA ' ' A' ' 100' ' ' THR . 62.6 p -78.83 157.26 28.4 Favored 'General case' 0 C--N 1.32 -0.709 0 N-CA-C 111.935 0.346 . . . . 1.39 111.935 -176.595 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' MET . . . . . 0.566 ' SD ' ' HE2' ' A' ' 101' ' ' MET . 83.5 mmm -57.83 -36.26 72.03 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.37 -0.377 . . . . 1.66 111.421 177.168 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 9.0 t -67.24 -34.25 77.05 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.746 0.307 . . . . 1.84 110.889 178.415 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . 0.493 ' O ' HG13 ' A' ' 72' ' ' ILE . 16.6 mm-40 -73.72 -32.75 64.04 Favored 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 120.769 -0.373 . . . . 2.62 110.293 174.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 70.5 t80 -68.89 -36.97 78.7 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.224 0.535 . . . . 2.24 109.661 177.399 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 36.9 tp -54.37 -44.13 71.97 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.0 -1.0 . . . . 2.05 109.638 171.696 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 47.8 t -67.83 -34.23 76.33 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.226 -0.897 . . . . 1.89 110.808 177.709 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.493 HG13 ' O ' ' A' ' 68' ' ' GLN . 73.6 mt -64.09 -48.52 85.49 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 N-CA-C 110.399 -0.223 . . . . 1.17 110.399 176.729 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.505 ' O ' ' HG3' ' A' ' 77' ' ' MET . 55.0 mt -58.74 -42.65 85.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 N-CA-C 110.043 -0.354 . . . . 1.8 110.043 176.254 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 8.5 tpp180 -54.44 -38.96 66.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.775 -0.648 . . . . 3.63 110.685 175.684 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 34.7 m -78.14 -34.89 49.62 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.056 -0.52 . . . . 1.79 111.499 -177.329 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 27.9 mmt180 -88.14 3.59 48.64 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 112.011 0.374 . . . . 3.54 112.011 -174.619 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' MET . . . . . 0.505 ' HG3' ' O ' ' A' ' 73' ' ' ILE . 61.9 mtt -61.37 122.93 16.38 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.633 0.254 . . . . 1.55 110.495 175.435 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 87.8 t -65.84 -36.46 77.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 121.296 0.57 . . . . 2.38 110.147 176.608 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.414 ' HB2' ' CG ' ' A' ' 51' ' ' PRO . 50.7 mt -120.0 132.52 55.51 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 115.511 -0.768 . . . . 2.86 108.934 175.551 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . 0.402 HH11 ' HD2' ' A' ' 80' ' ' ARG . 14.2 ttp180 -71.04 121.88 19.03 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 120.938 0.399 . . . . 5.06 111.141 -176.762 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -140.25 136.96 33.86 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 109.132 -0.692 . . . . 3.52 109.132 177.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 11.6 t -133.72 35.51 3.36 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-O 121.816 0.817 . . . . 4.81 110.37 -176.143 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -94.9 19.76 9.79 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.236 -0.893 . . . . 3.64 110.895 -178.16 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . 65.13 153.49 0.06 Allowed 'General case' 0 N--CA 1.469 0.489 0 CA-C-N 114.788 -1.096 . . . . 1.72 111.85 -178.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . 0.406 ' HA ' ' HA ' ' A' ' 121' ' ' SER . 13.9 p90 -157.59 147.09 20.08 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.192 0.52 . . . . 2.21 111.277 179.765 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 97.1 m-85 -100.65 148.24 25.07 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.614 -0.721 . . . . 3.6 111.06 -175.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 8.7 mp -113.7 118.92 35.69 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.896 -0.593 . . . . 2.15 110.207 178.376 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 81.7 mt -116.28 150.56 37.4 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 115.694 -0.685 . . . . 2.17 109.491 179.222 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.461 ' HB ' ' HB2' ' A' ' 93' ' ' SER . 84.0 t -101.93 126.32 55.93 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.889 0 C-N-CA 120.599 -0.44 . . . . 2.0 109.93 176.679 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 62.9 t30 54.2 41.71 31.87 Favored 'General case' 0 CA--C 1.532 0.259 0 CA-C-N 115.39 -0.823 . . . . 2.3 110.937 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . 0.434 ' N ' HD21 ' A' ' 91' ' ' ASN . 0.9 OUTLIER 65.01 19.97 11.98 Favored 'General case' 0 N--CA 1.471 0.606 0 CA-C-N 115.305 -0.861 . . . . 2.77 112.884 174.728 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 54.2 tptt -150.78 -67.8 0.19 Allowed 'General case' 0 C--N 1.33 -0.251 0 C-N-CA 119.869 -0.732 . . . . 4.32 112.876 -176.798 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' SER . . . . . 0.461 ' HB2' ' HB ' ' A' ' 89' ' ' VAL . 15.1 m -62.41 138.73 58.51 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 112.561 0.578 . . . . 2.66 112.561 -168.378 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -79.03 155.68 28.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.535 -0.757 . . . . 2.59 110.294 178.208 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 34.3 m -113.89 153.07 15.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-O 120.976 0.417 . . . . 4.86 111.328 -179.077 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 31.6 t -97.8 116.87 30.87 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 109.005 -0.739 . . . . 2.11 109.005 172.861 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' MET . . . . . 0.417 ' HA ' ' HB2' ' A' ' 66' ' ' MET . 22.8 ptp -69.14 -15.4 63.41 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.868 0.366 . . . . 3.31 111.756 -174.301 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 30.4 t -90.71 -11.64 39.06 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.001 0.429 . . . . 1.92 110.533 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -77.0 149.01 35.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.868 0.365 . . . . 1.15 111.26 -177.648 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' THR . . . . . 0.48 ' O ' HG12 ' A' ' 104' ' ' ILE . 55.7 p -89.13 161.22 16.61 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.881 -0.6 . . . . 1.1 111.26 179.767 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' MET . . . . . 0.63 ' HG2' ' O ' ' A' ' 64' ' ' LEU . 32.9 mmt -55.16 -36.05 65.42 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.684 0.278 . . . . 1.58 110.405 175.41 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -56.68 -51.65 67.94 Favored 'General case' 0 C--O 1.235 0.325 0 CA-C-N 116.255 -0.429 . . . . 1.13 111.128 177.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 28.8 mt-10 -65.04 -42.85 93.92 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.978 -0.556 . . . . 0.53 110.5 179.027 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . 0.48 HG12 ' O ' ' A' ' 100' ' ' THR . 46.6 mm -60.74 -47.63 92.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-N 115.577 -0.738 . . . . 1.25 110.8 179.418 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' TYR . . . . . 0.464 ' O ' ' HB2' ' A' ' 109' ' ' LYS . 9.6 t80 -62.82 -48.99 76.68 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.327 -0.397 . . . . 2.48 110.537 -179.155 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 22.7 tpt180 -57.34 -33.81 68.12 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.955 -0.566 . . . . 4.9 111.331 -179.146 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -89.47 -51.32 5.61 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 120.717 0.294 . . . . 1.77 111.592 -175.436 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 53.0 m-85 -100.69 16.24 25.58 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 112.581 0.586 . . . . 2.24 112.581 -168.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . 0.464 ' HB2' ' O ' ' A' ' 105' ' ' TYR . 26.2 ttpp -64.0 120.95 12.97 Favored 'General case' 0 C--N 1.325 -0.47 0 C-N-CA 120.956 -0.298 . . . . 2.32 110.438 176.112 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -80.49 -177.55 6.26 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 109.556 -0.535 . . . . 1.35 109.556 177.072 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 44.6 tt0 -66.2 -35.85 81.51 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.029 0.443 . . . . 2.97 110.426 -177.9 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . 0.627 ' HA ' ' OE1' ' A' ' 23' ' ' GLN . 2.9 p30 -73.23 -12.72 60.96 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.809 -0.632 . . . . 0.77 111.343 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 93.43 2.78 65.37 Favored Glycine 0 N--CA 1.446 -0.662 0 C-N-CA 120.869 -0.681 . . . . 0.5 113.544 174.227 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 85.7 m-85 -97.98 154.54 17.62 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 117.357 0.578 . . . . 2.18 111.485 178.691 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 23.8 t -100.99 109.84 26.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 115.917 -0.583 . . . . 1.72 109.592 174.111 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 116' ' ' TYR . . . . . . . . . . . . . 99.5 m-85 -95.78 112.81 24.45 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-O 121.19 0.519 . . . . 2.21 111.063 -176.125 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 117' ' ' MET . . . . . . . . . . . . . 63.0 mtm -118.43 132.57 56.24 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.606 -0.725 . . . . 1.89 110.351 -179.397 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 118' ' ' THR . . . . . 0.477 ' HA ' ' O ' ' A' ' 42' ' ' GLU . 1.5 m -109.79 134.03 52.48 Favored 'General case' 0 C--N 1.313 -1.004 0 CA-C-N 114.892 -1.049 . . . . 1.57 109.326 -175.735 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -129.37 143.09 50.7 Favored 'General case' 0 C--N 1.323 -0.573 0 C-N-CA 120.282 -0.567 . . . . 2.0 111.684 -175.377 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -152.84 146.02 24.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.415 -0.811 . . . . 1.41 109.882 176.455 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 121' ' ' SER . . . . . 0.406 ' HA ' ' HA ' ' A' ' 85' ' ' PHE . 23.2 t -59.74 -60.9 3.1 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.924 0.392 . . . . 3.18 110.281 -177.695 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 53.8 tt0 -157.46 130.24 7.52 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 108.985 -0.746 . . . . 4.9 108.985 175.39 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -94.54 96.68 9.62 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 109.426 -0.583 . . . . 6.07 109.426 -178.014 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 3.2 m -129.25 47.79 2.44 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 115.527 -0.761 . . . . 7.08 109.455 176.892 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 84.8 m-85 -120.48 -49.4 2.25 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.429 -0.805 . . . . 8.93 110.091 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.873 0 CA-C-O 118.573 -1.126 . . . . 10.03 110.794 -174.762 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.573 0 N-CA-C 112.143 -0.383 . . . . 29.92 112.143 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 14.5 m -86.19 -19.7 29.66 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.786 0.327 . . . . 30.07 111.228 -177.711 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 87.6 mmm -90.54 120.51 68.94 Favored Pre-proline 0 C--N 1.325 -0.461 0 CA-C-N 116.381 -0.372 . . . . 27.45 110.951 -179.228 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 26.7 Cg_exo -61.85 134.03 47.95 Favored 'Trans proline' 0 C--O 1.234 0.283 0 C-N-CA 122.777 2.318 . . . . 25.18 111.57 176.817 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo -77.2 129.58 10.52 Favored 'Trans proline' 0 N--CA 1.458 -0.571 0 C-N-CA 122.541 2.161 . . . . 23.6 112.254 179.194 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 32.1 Cg_endo -65.26 122.48 10.22 Favored 'Trans proline' 0 C--O 1.234 0.296 0 C-N-CA 122.663 2.242 . . . . 21.97 111.971 178.598 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 27.0 mt-30 -92.63 81.21 4.77 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.184 -0.462 . . . . 21.07 110.374 -179.022 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 34.8 mmtp -70.32 -40.14 74.35 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.199 0.523 . . . . 19.2 110.068 178.868 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 48.8 mm -114.13 96.2 41.3 Favored Pre-proline 0 C--N 1.324 -0.509 0 CA-C-N 115.527 -0.76 . . . . 16.54 109.626 176.234 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 17.4 Cg_exo -67.28 89.73 0.32 Allowed 'Trans proline' 0 N--CA 1.464 -0.214 0 C-N-CA 122.829 2.353 . . . . 16.01 111.691 177.679 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 4.5 p -85.26 45.49 1.19 Allowed 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 121.391 0.615 . . . . 13.99 111.064 -178.791 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.532 ' O ' ' HA ' ' A' ' 14' ' ' LYS . 27.2 m -108.71 23.9 3.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-N 115.812 -0.631 . . . . 12.46 110.612 -178.481 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 82.5 mtt180 -66.79 -45.75 55.3 Favored Pre-proline 0 CA--C 1.54 0.577 0 CA-C-N 115.848 -0.615 . . . . 12.68 112.418 -178.853 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 50.7 Cg_exo -55.12 102.86 0.09 OUTLIER 'Trans proline' 0 C--N 1.361 1.216 0 C-N-CA 122.304 2.003 . . . . 9.51 113.054 179.794 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 76.5 m-85 62.7 15.51 8.14 Favored 'General case' 0 N--CA 1.468 0.433 0 CA-C-N 115.696 -0.684 . . . . 10.27 112.261 179.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.532 ' HA ' ' O ' ' A' ' 10' ' ' VAL . 44.5 mmtm 55.21 81.33 0.11 Allowed 'General case' 0 C--O 1.231 0.098 0 CA-C-N 115.95 -0.568 . . . . 8.86 110.968 -174.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 25.7 mt-30 -67.62 85.46 0.19 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.009 -0.541 . . . . 6.88 110.544 -179.81 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 23.7 mmt180 66.69 176.71 0.23 Allowed 'General case' 0 C--O 1.233 0.226 0 CA-C-N 115.62 -0.718 . . . . 7.52 110.418 -176.182 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 31.9 mmtm -116.37 146.92 42.11 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 109.814 -0.439 . . . . 4.57 109.814 177.79 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' SER . . . . . 0.629 ' O ' ' HG3' ' A' ' 22' ' ' ARG . 91.8 p -68.09 165.26 18.45 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 109.485 -0.561 . . . . 1.06 109.485 177.786 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 45.7 tp -54.67 -47.55 73.47 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.608 0.718 . . . . 1.73 110.028 -177.04 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -59.79 -51.64 68.86 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-N 114.723 -1.126 . . . . 1.6 111.825 177.074 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 42.2 mm -62.7 -29.37 46.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 C-N-CA 120.734 -0.386 . . . . 2.15 110.748 -178.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.629 ' HG3' ' O ' ' A' ' 18' ' ' SER . 79.7 mtt180 -62.25 -41.61 98.59 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 110.02 -0.363 . . . . 3.15 110.02 178.148 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . 0.431 ' HG2' ' HA ' ' A' ' 112' ' ' ASP . 97.2 mt-30 -62.93 -33.58 75.64 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.355 -0.384 . . . . 2.41 110.48 177.39 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -74.27 -38.46 63.41 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-N 116.502 -0.317 . . . . 2.83 110.946 176.22 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -59.9 -49.38 77.91 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.093 -0.503 . . . . 2.3 109.864 179.613 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.592 HG22 ' O ' ' A' ' 22' ' ' ARG . 21.3 t -62.38 -39.95 86.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 115.758 -0.655 . . . . 1.92 110.578 177.744 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -59.58 -45.59 91.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.201 -0.454 . . . . 1.17 110.824 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -67.22 -48.82 56.87 Favored Glycine 0 N--CA 1.448 -0.564 0 C-N-CA 120.873 -0.679 . . . . 0.65 112.146 178.336 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 83.8 mt -59.59 -47.98 89.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-O 120.558 0.218 . . . . 1.26 111.256 -179.639 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 76.4 ttt180 -65.53 -29.1 69.69 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.917 0.389 . . . . 3.86 111.173 -177.127 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -80.63 -44.15 19.34 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.467 -0.333 . . . . 1.35 111.235 178.899 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 30.9 mmmt -75.35 -36.49 61.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.881 0.372 . . . . 3.46 111.142 -178.119 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 81.6 m-85 -127.35 75.14 77.39 Favored Pre-proline 0 C--N 1.321 -0.673 0 CA-C-N 116.179 -0.464 . . . . 2.26 110.366 -179.573 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 28.1 Cg_endo -62.2 -22.37 74.06 Favored 'Trans proline' 0 C--N 1.346 0.409 0 C-N-CA 122.463 2.109 . . . . 0.97 112.956 -178.221 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . 0.518 ' O ' ' HA ' ' A' ' 61' ' ' PRO . 26.7 t-20 -86.42 -14.78 42.3 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.897 -0.592 . . . . 2.39 111.157 179.865 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 3.9 mptp? -111.45 128.71 56.08 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.164 0.507 . . . . 2.46 111.012 -176.27 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 83.0 mt -105.97 124.64 35.36 Favored Pre-proline 0 C--N 1.319 -0.74 0 CA-C-N 115.616 -0.72 . . . . 1.2 110.292 -179.366 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -78.41 112.29 3.16 Favored 'Trans proline' 0 C--O 1.238 0.522 0 C-N-CA 122.645 2.23 . . . . 0.72 112.864 179.563 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.427 HG11 ' HB ' ' A' ' 115' ' ' VAL . 24.8 m -110.55 150.34 13.09 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 CA-C-N 115.628 -0.714 . . . . 2.06 110.006 178.55 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 71.7 t -123.2 118.4 54.58 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 CA-C-O 120.957 0.408 . . . . 1.13 110.294 179.561 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 61.2 t -97.6 117.1 41.75 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-N 115.95 -0.568 . . . . 1.7 110.205 179.68 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -116.65 142.84 46.37 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 115.484 -0.78 . . . . 2.43 109.782 -177.165 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 25.1 ttp180 -73.91 121.44 20.96 Favored 'General case' 0 N--CA 1.448 -0.529 0 N-CA-C 109.253 -0.647 . . . . 3.01 109.253 177.836 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . 0.588 ' CD1' ' HD2' ' A' ' 45' ' ' PRO . 17.0 t80 -51.49 133.93 34.32 Favored Pre-proline 0 C--N 1.327 -0.376 0 CA-C-N 115.676 -0.693 . . . . 2.55 110.397 -176.707 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . 0.588 ' HD2' ' CD1' ' A' ' 44' ' ' TYR . 18.0 Cg_endo -58.11 -15.3 22.46 Favored 'Trans proline' 0 N--CA 1.478 0.574 0 C-N-CA 123.454 2.77 . . . . 1.68 114.095 -173.536 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 10.4 mmm180 -99.87 -7.71 24.98 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.117 0.484 . . . . 4.72 110.49 179.078 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 12.0 tp10 -88.62 124.48 34.11 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.674 -0.694 . . . . 2.56 110.233 -179.219 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 11.9 p -133.08 -2.83 3.17 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.847 0.356 . . . . 4.11 111.544 -179.27 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 81.5 t80 -88.54 -44.35 10.73 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.936 0.398 . . . . 6.11 110.185 -176.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 83.6 mt -75.37 124.18 88.98 Favored Pre-proline 0 C--N 1.326 -0.422 0 CA-C-N 115.778 -0.647 . . . . 2.09 111.403 -178.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . 0.421 ' HG2' ' HB2' ' A' ' 79' ' ' LEU . 16.8 Cg_exo -69.58 133.29 25.52 Favored 'Trans proline' 0 C--O 1.234 0.293 0 C-N-CA 122.772 2.315 . . . . 2.13 111.025 171.104 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_exo -52.66 137.15 59.03 Favored 'Trans proline' 0 C--N 1.346 0.401 0 C-N-CA 123.08 2.52 . . . . 1.36 112.979 -179.037 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 39.4 mt -61.0 160.48 9.8 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-N 115.314 -0.857 . . . . 1.77 110.135 177.226 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 4.0 p-10 -77.81 -2.86 38.55 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.655 0.264 . . . . 2.12 111.11 -176.381 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 46.2 mmtm -141.34 151.42 43.55 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.991 -0.55 . . . . 3.06 109.568 175.653 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 9.9 t -125.05 -28.78 3.4 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 120.741 0.305 . . . . 1.57 110.726 178.228 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 15.4 mtpp -103.21 122.13 44.1 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 109.366 -0.605 . . . . 2.69 109.366 178.582 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 87.0 m-85 -124.81 138.06 54.28 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 120.713 0.292 . . . . 2.56 110.59 -178.373 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 3.6 pp -108.71 119.31 39.17 Favored 'General case' 0 C--N 1.32 -0.709 0 N-CA-C 109.06 -0.718 . . . . 2.74 109.06 172.281 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 13.5 m -131.68 145.84 59.25 Favored Pre-proline 0 C--N 1.32 -0.687 0 CA-C-N 115.656 -0.702 . . . . 1.34 110.199 -177.303 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . 0.518 ' HA ' ' O ' ' A' ' 35' ' ' ASN . 20.2 Cg_endo -63.53 150.83 87.5 Favored 'Trans proline' 0 N--CA 1.46 -0.452 0 C-N-CA 122.269 1.979 . . . . 1.12 112.037 179.272 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 6.1 pt20 -62.19 -12.01 17.66 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.685 -0.689 . . . . 1.73 111.771 178.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 5.1 tm-20 -86.99 -15.84 37.54 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.338 0.59 . . . . 3.07 109.626 178.095 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.455 ' O ' ' HG2' ' A' ' 101' ' ' MET . 0.9 OUTLIER -74.4 128.48 35.65 Favored 'General case' 0 N--CA 1.451 -0.376 0 CA-C-N 115.712 -0.676 . . . . 2.05 109.458 -176.761 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 45.1 p -94.78 165.14 12.63 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 115.85 -0.614 . . . . 1.39 111.483 -178.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' MET . . . . . 0.477 ' HB2' ' O ' ' A' ' 96' ' ' SER . 76.9 mtp -64.21 -32.21 73.71 Favored 'General case' 0 C--N 1.326 -0.45 0 C-N-CA 120.991 -0.284 . . . . 1.66 111.202 178.228 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 12.8 t -67.62 -40.21 84.68 Favored 'General case' 0 C--O 1.235 0.335 0 C-N-CA 120.639 -0.425 . . . . 1.84 110.526 178.887 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 74.7 mm-40 -68.82 -30.25 68.76 Favored 'General case' 0 N--CA 1.454 -0.234 0 CA-C-O 121.065 0.46 . . . . 2.62 110.375 175.543 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . 0.436 ' O ' HG12 ' A' ' 73' ' ' ILE . 41.6 t80 -70.16 -38.75 75.51 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.719 -0.673 . . . . 2.24 110.224 178.556 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.419 ' HG ' ' O ' ' A' ' 66' ' ' MET . 75.5 mt -56.4 -40.72 75.12 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.776 -0.647 . . . . 2.05 110.483 174.838 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 33.2 t -61.54 -38.66 88.25 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.823 -0.626 . . . . 1.89 110.275 176.104 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 71.4 mt -66.39 -43.87 91.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.106 -0.497 . . . . 1.17 110.497 177.496 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.515 ' O ' ' HG3' ' A' ' 77' ' ' MET . 48.8 mm -58.96 -43.7 89.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.102 -0.499 . . . . 1.8 110.552 178.524 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 56.3 ttt180 -58.97 -37.49 76.92 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.881 -0.599 . . . . 3.63 110.415 178.042 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 23.0 m -78.88 -19.09 52.79 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.945 -0.57 . . . . 1.79 111.379 -179.502 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . 0.6 ' HA ' ' NE ' ' A' ' 76' ' ' ARG . 0.5 OUTLIER -97.22 3.33 51.48 Favored 'General case' 0 C--O 1.238 0.495 0 CA-C-O 121.398 0.618 . . . . 3.54 110.631 -175.813 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' MET . . . . . 0.515 ' HG3' ' O ' ' A' ' 73' ' ' ILE . 55.8 mtt -72.49 133.0 44.59 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.445 -0.798 . . . . 1.55 110.95 -179.819 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 46.1 t -79.12 -32.44 15.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-N 115.799 -0.637 . . . . 2.38 109.521 174.54 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.421 ' HB2' ' HG2' ' A' ' 51' ' ' PRO . 28.5 tp -86.87 119.67 27.33 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.459 -0.792 . . . . 2.86 108.974 176.205 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 32.4 tpt180 -78.12 128.84 34.41 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 120.801 0.334 . . . . 5.06 111.606 -173.136 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . 68.38 31.45 5.01 Favored 'General case' 0 C--O 1.232 0.183 0 CA-C-N 115.255 -0.884 . . . . 3.52 111.969 174.07 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 15.3 t -92.49 36.49 1.0 Allowed 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 122.151 0.977 . . . . 4.81 109.406 174.522 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -74.87 83.32 2.18 Favored 'General case' 0 N--CA 1.44 -0.947 0 CA-C-N 114.556 -1.202 . . . . 3.64 112.442 -174.655 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -173.32 98.61 0.12 Allowed 'General case' 0 C--N 1.315 -0.92 0 CA-C-N 114.697 -1.138 . . . . 1.72 109.369 176.34 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . 0.424 ' HA ' ' HA ' ' A' ' 121' ' ' SER . 4.6 p90 -172.94 152.71 2.44 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 115.613 -0.721 . . . . 2.21 110.7 -172.1 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 71.5 m-85 -108.02 155.88 19.86 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.923 -0.58 . . . . 3.6 109.865 178.403 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 36.4 tp -121.06 123.57 42.68 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.412 -0.358 . . . . 2.15 110.482 -178.332 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 82.5 mt -112.7 129.3 56.45 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.017 -0.538 . . . . 2.17 109.832 178.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 40.4 t -111.1 116.78 53.41 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 CA-C-O 120.65 0.262 . . . . 2.0 111.283 -177.203 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 57.69 31.16 20.0 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-N 115.609 -0.723 . . . . 2.3 111.422 174.634 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 23.9 t-20 67.75 -4.12 1.03 Allowed 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 122.892 0.477 . . . . 2.77 112.259 177.209 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 31.0 mmtp -113.86 -58.01 2.21 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 121.747 -0.595 . . . . 4.32 111.944 -172.032 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -81.94 128.74 34.38 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 109.688 -0.486 . . . . 2.66 109.688 -176.418 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.551 HD12 ' O ' ' A' ' 94' ' ' LEU . 1.3 pp -119.42 122.96 42.93 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.831 0.348 . . . . 2.59 111.663 -177.341 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 11.4 p 37.21 49.98 0.26 Allowed 'Isoleucine or valine' 0 CA--C 1.542 0.64 0 C-N-CA 124.432 1.093 . . . . 4.86 112.621 177.268 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' SER . . . . . 0.477 ' O ' ' HB2' ' A' ' 66' ' ' MET . 5.4 m -79.78 88.11 5.24 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.59 -0.732 . . . . 2.11 109.821 179.251 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 85.7 mtp -71.42 -27.81 63.56 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.798 -0.637 . . . . 3.31 111.613 -171.881 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 20.4 m -94.56 0.62 55.37 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 116.332 -0.395 . . . . 1.92 111.403 -176.447 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -85.15 136.2 33.64 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.927 0.394 . . . . 1.15 111.113 -178.41 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 72.2 p -88.36 156.9 18.9 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.046 -0.525 . . . . 1.1 110.097 176.706 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' MET . . . . . 0.455 ' HG2' ' O ' ' A' ' 64' ' ' LEU . 24.1 mmt -61.61 -28.78 69.61 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.678 -0.237 . . . . 1.58 110.812 177.342 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.76 -49.91 75.6 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.335 -0.393 . . . . 1.13 110.553 177.691 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 32.3 mt-10 -65.24 -45.79 83.21 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.903 -0.59 . . . . 0.53 110.673 178.769 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 39.0 mm -61.02 -47.72 92.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-N 115.399 -0.819 . . . . 1.25 111.299 -178.476 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' TYR . . . . . 0.44 ' HE1' ' O ' ' A' ' 113' ' ' GLY . 50.7 t80 -63.93 -38.86 92.62 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.949 0.404 . . . . 2.48 110.391 179.314 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 40.2 ttp180 -55.78 -45.57 78.12 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.524 -0.762 . . . . 4.9 111.103 -177.246 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -98.92 -45.07 6.1 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.917 -0.583 . . . . 1.77 111.647 -173.504 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 66.2 m-85 -100.73 15.78 27.14 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 113.085 0.772 . . . . 2.24 113.085 -168.571 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . 0.424 ' HB3' ' O ' ' A' ' 105' ' ' TYR . 21.2 pttm -55.25 134.28 49.76 Favored 'General case' 0 C--O 1.238 0.449 0 N-CA-C 109.64 -0.504 . . . . 2.32 109.64 171.563 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . 0.576 ' OD1' ' HG2' ' A' ' 111' ' ' GLU . 5.4 t70 -84.06 -177.65 6.73 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.541 -0.299 . . . . 1.35 110.7 -175.095 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . 0.576 ' HG2' ' OD1' ' A' ' 110' ' ' ASP . 10.3 pt-20 -64.68 -33.07 75.08 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.951 0.405 . . . . 2.97 111.685 -173.673 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . 0.431 ' HA ' ' HG2' ' A' ' 23' ' ' GLN . 4.7 p30 -87.67 -12.35 45.69 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.79 0.328 . . . . 0.77 111.204 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . 0.44 ' O ' ' HE1' ' A' ' 105' ' ' TYR . . . 109.1 -16.72 32.56 Favored Glycine 0 N--CA 1.449 -0.434 0 C-N-CA 120.559 -0.829 . . . . 0.5 113.233 177.532 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' PHE . . . . . 0.411 ' HB2' ' CE1' ' A' ' 116' ' ' TYR . 56.6 m-85 -78.41 157.65 28.95 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 117.351 0.576 . . . . 2.18 110.284 178.172 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . 0.427 ' HB ' HG11 ' A' ' 39' ' ' VAL . 23.9 t -100.66 108.8 23.85 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 N-CA-C 109.451 -0.574 . . . . 1.72 109.451 173.888 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 116' ' ' TYR . . . . . 0.411 ' CE1' ' HB2' ' A' ' 114' ' ' PHE . 80.3 m-85 -92.8 123.14 35.86 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 121.301 0.572 . . . . 2.21 111.167 -176.598 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 117' ' ' MET . . . . . . . . . . . . . 59.8 mtt -119.92 130.27 54.74 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.222 -0.899 . . . . 1.89 110.021 -179.811 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 2.3 p -101.76 133.44 46.5 Favored 'General case' 0 C--N 1.314 -0.964 0 CA-C-N 115.821 -0.627 . . . . 1.57 110.127 178.275 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 2.4 p90 -122.2 141.9 50.98 Favored 'General case' 0 C--N 1.32 -0.676 0 C-N-CA 120.645 -0.422 . . . . 2.0 110.161 178.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -154.09 146.96 24.38 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.805 -0.634 . . . . 1.41 109.994 -177.783 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 121' ' ' SER . . . . . 0.424 ' HA ' ' HA ' ' A' ' 85' ' ' PHE . 19.6 t -72.42 -32.92 66.73 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.117 -0.492 . . . . 3.18 109.851 -177.626 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 19.8 pt20 -140.45 149.15 42.19 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.83 -0.623 . . . . 4.9 109.781 177.538 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -94.47 155.5 16.91 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.937 -0.574 . . . . 6.07 110.62 -179.179 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 14.4 p -86.29 53.38 2.78 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 109.236 -0.653 . . . . 7.08 109.236 171.799 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 86.6 m-85 66.97 179.76 0.22 Allowed 'General case' 0 C--O 1.235 0.311 0 CA-C-N 114.847 -1.069 . . . . 8.93 110.785 -173.374 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.032 0 CA-C-O 118.602 -1.11 . . . . 10.03 112.253 -177.529 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.839 0 N-CA-C 111.784 -0.526 . . . . 29.92 111.784 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 15.4 p -89.19 124.86 34.76 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 120.724 0.297 . . . . 30.07 110.525 177.866 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.5 ttt -87.47 120.79 71.29 Favored Pre-proline 0 C--N 1.323 -0.566 0 CA-C-N 116.24 -0.437 . . . . 27.45 110.231 179.361 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 12.5 Cg_exo -70.22 132.59 22.9 Favored 'Trans proline' 0 N--CA 1.462 -0.369 0 C-N-CA 122.435 2.09 . . . . 25.18 111.349 175.737 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_exo -53.75 123.08 12.52 Favored 'Trans proline' 0 C--N 1.344 0.317 0 C-N-CA 122.443 2.096 . . . . 23.6 110.899 174.347 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 92.9 Cg_exo -43.88 116.49 0.95 Allowed 'Trans proline' 0 C--N 1.347 0.449 0 C-N-CA 123.796 2.997 . . . . 21.97 113.588 -173.604 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 55.4 mt-30 -85.72 -26.18 26.04 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.893 -0.594 . . . . 21.07 109.903 177.239 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 31.6 mmmt -76.45 144.03 40.17 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.776 -0.647 . . . . 19.2 109.9 177.172 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 6.7 tp -124.16 92.86 47.7 Favored Pre-proline 0 C--N 1.32 -0.711 0 CA-C-O 121.762 0.791 . . . . 16.54 110.045 178.17 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 33.3 Cg_exo -59.57 -50.88 7.14 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 123.193 2.596 . . . . 16.01 112.678 -178.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 15.2 m -91.15 108.73 20.07 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.407 -0.36 . . . . 13.99 110.875 -178.339 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 87.4 t -70.36 109.26 2.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 N-CA-C 109.945 -0.391 . . . . 12.46 109.945 176.847 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 45.2 ttp180 -111.05 111.58 56.01 Favored Pre-proline 0 C--N 1.32 -0.688 0 CA-C-N 115.851 -0.613 . . . . 12.68 110.606 -176.014 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_endo -76.36 82.6 2.2 Favored 'Trans proline' 0 N--CA 1.461 -0.419 0 C-N-CA 122.701 2.267 . . . . 9.51 112.043 179.851 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 21.1 p90 -70.9 -25.39 62.75 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.843 -0.617 . . . . 10.27 111.812 -176.483 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 72.2 mmtt -76.9 -27.48 54.96 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.94 0.4 . . . . 8.86 110.848 177.582 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 86.5 mt-30 -89.36 80.88 6.71 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 109.416 -0.587 . . . . 6.88 109.416 176.603 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -64.31 -44.76 90.57 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.812 -0.631 . . . . 7.52 110.298 -179.367 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 29.3 mmmt -119.06 124.71 47.58 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 109.375 -0.602 . . . . 4.57 109.375 177.712 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' SER . . . . . 0.637 ' O ' ' HG3' ' A' ' 22' ' ' ARG . 92.3 p -75.29 161.43 29.31 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.586 -0.279 . . . . 1.06 110.417 -178.836 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 36.1 tp -55.72 -47.02 77.6 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.498 0.666 . . . . 1.73 110.097 -178.267 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -60.54 -49.21 78.47 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 114.912 -1.04 . . . . 1.6 112.117 178.55 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.549 ' O ' ' HG2' ' A' ' 25' ' ' GLU . 65.2 mt -67.01 -28.89 44.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 C-N-CA 120.58 -0.448 . . . . 2.15 111.076 -179.457 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.637 ' HG3' ' O ' ' A' ' 18' ' ' SER . 95.8 mtt180 -64.6 -39.93 94.6 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 109.664 -0.495 . . . . 3.15 109.664 177.561 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 6.5 tp-100 -61.77 -32.6 72.88 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.809 -0.632 . . . . 2.41 109.529 176.043 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.415 ' HB2' ' O ' ' A' ' 21' ' ' ILE . 28.9 mm-40 -70.97 -47.65 57.72 Favored 'General case' 0 CA--C 1.519 -0.214 0 CA-C-N 115.847 -0.615 . . . . 2.83 110.776 176.32 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . 0.549 ' HG2' ' O ' ' A' ' 21' ' ' ILE . 20.5 mm-40 -57.44 -48.96 77.77 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.517 -0.765 . . . . 2.3 110.721 179.055 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -65.98 -37.53 80.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.991 0.424 . . . . 1.92 110.189 -179.091 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -60.75 -45.56 93.81 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.544 -0.753 . . . . 1.17 110.305 175.831 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -67.96 -41.24 88.18 Favored Glycine 0 N--CA 1.448 -0.504 0 CA-C-N 115.903 -0.59 . . . . 0.65 112.372 179.041 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.414 HG13 ' O ' ' A' ' 25' ' ' GLU . 93.6 mt -63.07 -47.63 91.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-O 120.548 0.213 . . . . 1.26 110.655 178.005 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 44.4 ttp180 -70.64 -24.73 62.77 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.824 0.345 . . . . 3.86 111.252 -178.002 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -78.18 -30.4 49.04 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.895 0.378 . . . . 1.35 111.025 178.35 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 5.5 mptp? -92.08 -39.25 11.72 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.25 -0.432 . . . . 3.46 110.892 179.707 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 45.6 m-85 -127.98 85.17 61.28 Favored Pre-proline 0 C--N 1.324 -0.533 0 CA-C-N 116.054 -0.521 . . . . 2.26 110.04 -179.039 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 55.8 Cg_endo -71.48 -26.12 20.53 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.556 2.171 . . . . 0.97 112.869 -178.14 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 11.3 m120 -97.61 -7.49 31.0 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.008 -0.542 . . . . 2.39 111.311 -175.302 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 63.5 mttm -100.68 138.31 37.9 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.004 0.43 . . . . 2.46 110.304 177.127 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 89.9 mt -104.22 121.81 46.24 Favored Pre-proline 0 C--N 1.318 -0.799 0 CA-C-N 115.851 -0.613 . . . . 1.2 111.076 -175.777 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -82.8 103.31 1.2 Allowed 'Trans proline' 0 N--CA 1.458 -0.571 0 C-N-CA 122.72 2.28 . . . . 0.72 112.25 176.54 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 7.6 p -111.02 132.7 58.79 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 CA-C-N 115.897 -0.592 . . . . 2.06 110.458 178.786 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 49.9 t -105.74 108.23 24.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 116.005 -0.543 . . . . 1.13 109.726 178.864 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 42.0 t -102.88 121.85 54.54 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.747 0 CA-C-N 115.821 -0.627 . . . . 1.7 110.274 -177.578 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.574 ' O ' ' HA ' ' A' ' 118' ' ' THR . 41.2 mt-10 -128.03 154.61 45.46 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.982 -0.553 . . . . 2.43 109.706 178.053 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 22.8 ptt180 -78.01 152.24 33.16 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.359 -0.382 . . . . 3.01 110.388 -178.69 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . 0.508 ' HB3' ' HB2' ' A' ' 47' ' ' GLU . 2.6 t80 -53.4 133.37 53.08 Favored Pre-proline 0 C--N 1.326 -0.426 0 CA-C-N 115.204 -0.907 . . . . 2.55 110.718 -179.243 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . 0.4 ' HB2' ' NH1' ' A' ' 46' ' ' ARG . 29.7 Cg_endo -63.06 -7.73 12.4 Favored 'Trans proline' 0 CA--C 1.531 0.365 0 C-N-CA 123.171 2.581 . . . . 1.68 113.199 -176.432 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.4 ' NH1' ' HB2' ' A' ' 45' ' ' PRO . 28.8 mmt180 -121.64 11.53 10.55 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.851 0.358 . . . . 4.72 110.473 178.533 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.508 ' HB2' ' HB3' ' A' ' 44' ' ' TYR . 10.6 tp10 -88.23 150.2 23.41 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.122 0.487 . . . . 2.56 110.688 -178.734 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 85.7 m -134.9 -36.53 0.83 Allowed 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.692 -0.686 . . . . 4.11 110.758 179.762 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 91.9 t80 -63.92 -37.76 88.6 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.811 -0.631 . . . . 6.11 111.048 -178.276 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 98.7 mt -100.69 112.78 65.2 Favored Pre-proline 0 C--N 1.324 -0.501 0 CA-C-N 116.055 -0.521 . . . . 2.09 110.999 -179.779 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_exo -76.78 160.25 34.38 Favored 'Trans proline' 0 N--CA 1.462 -0.364 0 C-N-CA 123.205 2.603 . . . . 2.13 111.499 174.182 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 33.2 Cg_exo -58.7 137.7 81.56 Favored 'Trans proline' 0 C--N 1.346 0.427 0 C-N-CA 122.653 2.236 . . . . 1.36 111.38 176.543 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.409 ' HG ' ' OH ' ' A' ' 119' ' ' TYR . 52.0 mt -72.84 170.98 13.55 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.087 -0.506 . . . . 1.77 111.587 -175.505 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . 0.455 ' HB3' ' HG3' ' A' ' 76' ' ' ARG . 2.4 t70 -58.86 -35.86 73.67 Favored 'General case' 0 C--O 1.236 0.366 0 CA-C-O 121.078 0.466 . . . . 2.12 110.724 177.127 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 6.3 tptp -124.03 141.26 52.2 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.892 -0.594 . . . . 3.06 109.82 -179.267 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 15.3 t -109.11 -23.01 11.86 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.049 0.452 . . . . 1.57 109.853 176.88 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -110.9 118.33 35.8 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 109.864 -0.421 . . . . 2.69 109.864 176.131 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 94.2 m-85 -112.16 136.09 51.99 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 116.368 -0.378 . . . . 2.56 110.201 179.246 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 98.6 mt -104.51 104.34 14.18 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 109.088 -0.708 . . . . 2.74 109.088 173.711 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 24.5 m -116.84 146.14 37.11 Favored Pre-proline 0 C--N 1.32 -0.675 0 CA-C-N 116.074 -0.512 . . . . 1.34 110.987 -176.275 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_endo -70.47 159.25 53.51 Favored 'Trans proline' 0 N--CA 1.464 -0.259 0 C-N-CA 122.388 2.059 . . . . 1.12 111.592 176.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 42.8 mt-30 -64.48 -17.28 63.71 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.716 -0.674 . . . . 1.73 111.769 -176.318 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 42.7 tt0 -86.53 -10.23 54.49 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.079 0.466 . . . . 3.07 110.629 -178.332 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -72.61 121.26 19.45 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.816 -0.629 . . . . 2.05 109.785 -176.536 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 82.6 p -92.14 167.59 11.95 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.235 -0.439 . . . . 1.39 111.28 179.887 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' MET . . . . . 0.488 ' O ' ' HG ' ' A' ' 70' ' ' LEU . 60.8 mtp -60.98 -37.97 84.34 Favored 'General case' 0 C--N 1.328 -0.333 0 C-N-CA 120.75 -0.38 . . . . 1.66 110.578 177.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 47.7 m -57.95 -49.89 75.23 Favored 'General case' 0 C--O 1.238 0.481 0 CA-C-O 121.265 0.555 . . . . 1.84 111.009 177.659 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . 0.402 ' O ' HG13 ' A' ' 72' ' ' ILE . 91.6 mt-30 -67.5 -30.65 70.39 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.823 -0.626 . . . . 2.62 110.486 -179.371 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . 0.403 ' O ' HG12 ' A' ' 73' ' ' ILE . 32.4 t80 -70.24 -37.86 75.06 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.8 -0.636 . . . . 2.24 110.203 179.568 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.488 ' HG ' ' O ' ' A' ' 66' ' ' MET . 78.2 mt -55.75 -43.76 76.97 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.807 -0.633 . . . . 2.05 110.363 175.833 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 19.6 m -61.81 -40.95 97.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.056 -0.52 . . . . 1.89 110.671 176.085 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.402 HG13 ' O ' ' A' ' 68' ' ' GLN . 68.6 mt -64.33 -41.85 93.61 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.181 0 CA-C-N 116.311 -0.404 . . . . 1.17 110.563 178.281 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.403 HG12 ' O ' ' A' ' 69' ' ' PHE . 39.4 mm -59.13 -43.62 89.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.085 -0.507 . . . . 1.8 110.519 177.037 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 60.7 ttp180 -64.93 -30.55 71.55 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.129 -0.487 . . . . 3.63 110.462 178.162 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 19.5 m -73.79 -19.35 60.79 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.208 -0.451 . . . . 1.79 110.659 178.001 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . 0.455 ' HG3' ' HB3' ' A' ' 54' ' ' ASP . 0.1 OUTLIER -104.63 3.75 32.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.96 0.409 . . . . 3.54 110.606 -178.501 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 13.2 mmt -64.01 130.89 45.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.856 -0.611 . . . . 1.55 110.439 176.56 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 61.1 t -68.57 -30.32 46.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 115.853 -0.612 . . . . 2.38 110.418 179.005 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.416 HD12 ' H ' ' A' ' 79' ' ' LEU . 0.0 OUTLIER -127.57 145.61 50.8 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.594 -0.73 . . . . 2.86 109.417 176.829 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 4.6 tpp180 -75.85 119.85 20.4 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.854 0.359 . . . . 5.06 110.826 -178.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -153.3 135.21 14.65 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.554 -0.748 . . . . 3.52 109.763 176.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 3.6 m -109.2 25.67 11.53 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-O 121.959 0.885 . . . . 4.81 109.596 178.692 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 11.4 tp10 -63.04 143.96 57.31 Favored 'General case' 0 N--CA 1.451 -0.381 0 CA-C-N 115.06 -0.973 . . . . 3.64 109.732 176.576 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -78.93 111.45 15.12 Favored 'General case' 0 C--N 1.317 -0.805 0 N-CA-C 109.901 -0.407 . . . . 1.72 109.901 179.218 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 8.1 p90 -125.94 152.26 45.88 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 115.658 -0.701 . . . . 2.21 109.789 -177.412 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 85.9 m-85 -104.02 139.13 39.57 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-O 121.018 0.437 . . . . 3.6 111.299 -173.728 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 45.8 tp -109.99 116.15 31.07 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.681 -0.691 . . . . 2.15 109.817 176.647 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -101.02 142.91 31.81 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-N 115.904 -0.589 . . . . 2.17 110.185 -179.576 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 31.7 t -102.77 113.57 39.81 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.713 0 N-CA-C 109.389 -0.597 . . . . 2.0 109.389 177.351 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 15.2 m120 56.05 30.17 15.79 Favored 'General case' 0 N--CA 1.465 0.313 0 O-C-N 123.609 0.568 . . . . 2.3 110.577 -176.38 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 88.5 m-20 61.21 17.28 8.02 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-N 115.494 -0.776 . . . . 2.77 111.392 -178.095 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 68.0 mttm -112.61 -72.43 0.71 Allowed 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.634 0.254 . . . . 4.32 111.407 -178.78 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 6.3 m -74.78 139.67 43.49 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.269 -0.423 . . . . 2.66 111.702 -173.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 52.4 tp -95.77 158.38 15.48 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.722 -0.672 . . . . 2.59 109.342 175.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 9.0 m -49.55 121.6 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.154 0 CA-C-O 121.249 0.547 . . . . 4.86 112.458 -178.733 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 44.8 t -118.11 124.32 47.75 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.667 -0.697 . . . . 2.11 109.254 174.698 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 63.2 mtt -77.89 -1.89 34.02 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.0 0.429 . . . . 3.31 111.041 -178.4 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 19.5 t -109.05 -11.0 15.0 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.044 -0.526 . . . . 1.92 110.304 178.351 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -85.47 132.17 34.25 Favored 'General case' 0 C--O 1.235 0.338 0 CA-C-O 120.912 0.387 . . . . 1.15 111.466 -176.628 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 59.4 p -96.29 151.18 19.76 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.712 -0.676 . . . . 1.1 109.51 174.609 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' MET . . . . . 0.473 ' HE2' ' HE3' ' A' ' 117' ' ' MET . 0.0 OUTLIER -63.01 -24.49 67.94 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.297 -0.411 . . . . 1.58 111.045 178.088 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -59.26 -51.41 70.06 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.016 0.436 . . . . 1.13 110.477 175.841 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 25.4 mt-10 -64.94 -44.34 89.77 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.712 -0.676 . . . . 0.53 110.325 178.875 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 48.1 mm -59.51 -48.06 88.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 115.333 -0.849 . . . . 1.25 111.077 -179.49 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 63.4 t80 -57.81 -51.98 67.35 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.183 -0.462 . . . . 2.48 111.067 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 59.2 ttt180 -56.68 -37.86 71.44 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.766 -0.652 . . . . 4.9 111.606 -175.039 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -93.38 -50.65 5.35 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 112.051 0.389 . . . . 1.77 112.051 -174.265 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 85.7 m-85 -96.22 10.78 36.73 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 113.38 0.881 . . . . 2.24 113.38 -167.564 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 55.9 pttt -57.22 126.94 29.49 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 109.494 -0.558 . . . . 2.32 109.494 171.075 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -73.58 -178.61 3.16 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.284 -0.417 . . . . 1.35 110.386 -174.108 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 16.1 mm-40 -55.85 -40.19 72.51 Favored 'General case' 0 C--O 1.236 0.343 0 CA-C-O 120.709 0.29 . . . . 2.97 111.429 -176.515 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -77.68 -11.81 59.91 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.188 -0.46 . . . . 0.77 111.653 -178.472 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 108.76 -22.25 26.31 Favored Glycine 0 N--CA 1.45 -0.428 0 C-N-CA 120.7 -0.762 . . . . 0.5 113.093 176.186 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 84.2 m-85 -79.73 152.34 29.91 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.948 0.404 . . . . 2.18 110.892 -178.381 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 42.4 t -96.16 109.99 23.77 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 N-CA-C 109.341 -0.614 . . . . 1.72 109.341 175.198 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 116' ' ' TYR . . . . . . . . . . . . . 81.1 m-85 -95.32 122.38 37.97 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-O 121.051 0.453 . . . . 2.21 110.841 -177.237 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 117' ' ' MET . . . . . 0.473 ' HE3' ' HE2' ' A' ' 101' ' ' MET . 65.2 mtt -119.17 155.22 32.03 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 115.816 -0.629 . . . . 1.89 110.242 179.696 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 118' ' ' THR . . . . . 0.574 ' HA ' ' O ' ' A' ' 42' ' ' GLU . 97.6 m -136.22 133.43 37.06 Favored 'General case' 0 C--N 1.315 -0.919 0 CA-C-N 115.756 -0.657 . . . . 1.57 110.037 -176.771 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 119' ' ' TYR . . . . . 0.409 ' OH ' ' HG ' ' A' ' 53' ' ' LEU . 14.3 p90 -118.91 141.76 48.37 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-O 120.958 0.409 . . . . 2.0 110.798 -178.75 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . 0.427 ' HB2' ' HB2' ' A' ' 44' ' ' TYR . . . -143.17 157.38 44.56 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.614 -0.721 . . . . 1.41 110.022 179.496 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 24.0 t -63.17 -68.0 0.38 Allowed 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 110.175 -0.305 . . . . 3.18 110.175 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 54.0 mt-30 -145.69 131.59 19.15 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.461 -0.336 . . . . 4.9 110.205 178.835 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -93.74 72.36 4.23 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 121.04 0.448 . . . . 6.07 110.053 177.021 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 27.2 p -76.16 67.13 2.41 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.855 -0.611 . . . . 7.08 110.441 178.639 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 40.9 t80 -148.02 174.37 11.97 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.573 -0.74 . . . . 8.93 109.468 -177.247 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.946 0 CA-C-O 118.276 -1.291 . . . . 10.03 111.493 -179.929 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.785 0 N-CA-C 111.9 -0.48 . . . . 29.92 111.9 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 13.5 p -82.92 143.75 30.5 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 120.742 0.306 . . . . 30.07 110.249 177.867 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 50.1 tpp -94.42 120.55 65.01 Favored Pre-proline 0 C--N 1.324 -0.538 0 CA-C-N 116.365 -0.379 . . . . 27.45 110.292 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_exo -58.32 133.46 55.14 Favored 'Trans proline' 0 C--O 1.234 0.282 0 C-N-CA 122.61 2.207 . . . . 25.18 111.365 176.512 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 13.2 Cg_endo -56.75 140.57 91.31 Favored 'Trans proline' 0 C--N 1.345 0.349 0 C-N-CA 122.661 2.241 . . . . 23.6 111.639 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 35.6 Cg_endo -65.35 88.55 0.2 Allowed 'Trans proline' 0 CA--C 1.53 0.309 0 C-N-CA 122.897 2.398 . . . . 21.97 112.836 -176.565 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 13.4 pt20 -68.98 145.31 53.7 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.004 -0.544 . . . . 21.07 110.513 179.211 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 46.7 mttp -130.34 120.2 23.96 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.3 -0.409 . . . . 19.2 110.613 -175.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 43.5 mm -100.79 110.3 60.34 Favored Pre-proline 0 C--N 1.323 -0.544 0 N-CA-C 109.269 -0.641 . . . . 16.54 109.269 175.89 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 92.2 Cg_endo -80.49 37.02 0.65 Allowed 'Trans proline' 0 C--O 1.232 0.215 0 C-N-CA 123.008 2.472 . . . . 16.01 113.552 -172.157 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 8.2 t -170.5 -69.55 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 C-N-CA 121.204 -0.199 . . . . 13.99 110.66 178.664 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.436 ' O ' ' HD3' ' A' ' 12' ' ' PRO . 58.4 t 68.86 102.68 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.464 0.255 0 CA-C-O 121.12 0.486 . . . . 12.46 110.551 -176.92 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -109.52 97.35 26.85 Favored Pre-proline 0 C--N 1.323 -0.556 0 CA-C-N 116.11 -0.496 . . . . 12.68 111.088 179.045 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.436 ' HD3' ' O ' ' A' ' 10' ' ' VAL . 10.4 Cg_exo -71.57 137.69 30.84 Favored 'Trans proline' 0 N--CA 1.459 -0.508 0 C-N-CA 122.534 2.156 . . . . 9.51 110.689 174.031 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 12.7 m-85 -78.57 96.52 5.49 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 121.214 0.53 . . . . 10.27 110.308 -175.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 33.1 mmtp -71.57 -50.73 28.25 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.48 -0.782 . . . . 8.86 110.838 -176.172 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 8.7 tt0 -87.41 -59.72 2.17 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.909 -0.587 . . . . 6.88 109.967 -179.706 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 39.8 ttm180 -176.53 -52.11 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.734 -0.666 . . . . 7.52 109.438 179.828 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 23.1 pttm -119.17 147.39 44.26 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.991 -0.549 . . . . 4.57 109.982 175.419 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' SER . . . . . 0.585 ' O ' ' HG3' ' A' ' 22' ' ' ARG . 77.9 p -91.71 -178.13 4.97 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 116.115 -0.493 . . . . 1.06 110.342 -179.654 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.4 ' O ' ' HB2' ' A' ' 22' ' ' ARG . 29.8 tp -63.85 -45.04 91.3 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.356 0.598 . . . . 1.73 109.667 176.418 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -60.58 -40.91 93.45 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.291 -0.868 . . . . 1.6 111.431 177.406 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.408 HG13 ' OG ' ' A' ' 18' ' ' SER . 50.5 mt -66.64 -33.01 60.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 C-N-CA 120.442 -0.503 . . . . 2.15 110.532 176.622 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.585 ' HG3' ' O ' ' A' ' 18' ' ' SER . 97.4 mtt180 -57.96 -43.66 86.58 Favored 'General case' 0 CA--C 1.52 -0.192 0 N-CA-C 109.252 -0.648 . . . . 3.15 109.252 177.753 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 6.5 tp-100 -60.55 -39.94 89.77 Favored 'General case' 0 N--CA 1.452 -0.349 0 CA-C-N 115.007 -0.997 . . . . 2.41 110.483 179.129 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -73.84 -49.71 23.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.085 0.469 . . . . 2.83 111.408 -179.315 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . 0.431 ' O ' HG13 ' A' ' 29' ' ' ILE . 39.6 tt0 -58.17 -47.82 82.18 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 115.318 -0.855 . . . . 2.3 111.005 -177.591 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 2.3 p -63.34 -40.87 90.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 121.089 0.471 . . . . 1.92 110.313 179.041 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -59.14 -47.71 84.29 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.093 -0.958 . . . . 1.17 110.672 178.046 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -63.14 -46.72 92.63 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 121.116 -0.564 . . . . 0.65 112.563 178.617 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.431 HG13 ' O ' ' A' ' 25' ' ' GLU . 68.9 mt -61.62 -49.31 84.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.648 0.261 . . . . 1.26 111.145 -179.058 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 31.8 tpt180 -67.85 -27.02 66.33 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.317 -0.401 . . . . 3.86 111.315 -176.257 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -80.29 -37.56 32.53 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.181 0.515 . . . . 1.35 110.801 178.477 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 35.0 ttpt -78.07 -31.77 50.36 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.7 -0.682 . . . . 3.46 110.844 -178.191 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 84.5 m-85 -127.0 86.26 59.29 Favored Pre-proline 0 C--N 1.325 -0.486 0 CA-C-N 116.208 -0.451 . . . . 2.26 110.636 178.253 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 38.0 Cg_endo -67.66 -22.26 44.17 Favored 'Trans proline' 0 C--N 1.343 0.239 0 C-N-CA 122.665 2.243 . . . . 0.97 112.713 -178.515 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . 0.445 ' O ' ' HG3' ' A' ' 62' ' ' GLN . 28.1 t-20 -89.51 -13.25 37.84 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.791 -0.64 . . . . 2.39 110.81 -179.578 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 63.1 mttm -111.36 151.37 28.52 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.244 0.545 . . . . 2.46 111.119 -176.489 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 89.0 mt -120.91 128.81 25.59 Favored Pre-proline 0 C--N 1.321 -0.635 0 CA-C-N 115.566 -0.743 . . . . 1.2 110.284 -178.832 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 8.1 Cg_exo -72.37 103.8 1.59 Allowed 'Trans proline' 0 C--O 1.239 0.572 0 C-N-CA 122.718 2.279 . . . . 0.72 112.381 177.497 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.486 HG21 HG12 ' A' ' 115' ' ' VAL . 9.3 p -107.35 137.22 39.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 CA-C-N 116.111 -0.495 . . . . 2.06 110.473 178.239 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 61.6 t -111.24 121.79 64.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-N 116.077 -0.51 . . . . 1.13 110.03 178.073 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.433 ' HA ' ' O ' ' A' ' 117' ' ' MET . 38.6 t -107.06 128.06 62.23 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 CA-C-O 121.1 0.476 . . . . 1.7 110.601 -177.094 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.58 ' O ' ' HA ' ' A' ' 118' ' ' THR . 39.2 tt0 -128.23 146.11 50.84 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.856 -0.611 . . . . 2.43 109.689 -178.592 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 31.0 ptt180 -85.81 138.79 31.81 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.995 0.426 . . . . 3.01 110.935 -178.033 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . 0.527 ' CD1' ' HD2' ' A' ' 45' ' ' PRO . 1.8 t80 -82.88 129.1 63.11 Favored Pre-proline 0 C--N 1.325 -0.465 0 CA-C-N 115.696 -0.684 . . . . 2.55 111.234 -173.733 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . 0.527 ' HD2' ' CD1' ' A' ' 44' ' ' TYR . 52.1 Cg_endo -69.19 -7.82 21.92 Favored 'Trans proline' 0 C--N 1.345 0.381 0 C-N-CA 123.238 2.625 . . . . 1.68 113.427 -178.588 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.409 ' NE ' ' HA ' ' A' ' 46' ' ' ARG . 6.8 tpm_? -60.76 -39.41 88.65 Favored 'General case' 0 C--N 1.331 -0.217 0 N-CA-C 109.643 -0.503 . . . . 4.72 109.643 175.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 13.4 tp10 -87.94 152.17 22.27 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 108.623 -0.88 . . . . 2.56 108.623 171.861 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 11.4 m -74.64 69.42 1.75 Allowed 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 121.371 0.605 . . . . 4.11 109.816 178.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 73.6 m-85 60.42 83.91 0.13 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 114.683 -1.144 . . . . 6.11 112.439 175.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 13.2 mt -58.37 147.67 67.1 Favored Pre-proline 0 C--O 1.237 0.413 0 N-CA-C 109.149 -0.686 . . . . 2.09 109.149 169.288 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 9.6 Cg_endo -52.73 125.8 19.13 Favored 'Trans proline' 0 C--O 1.232 0.205 0 C-N-CA 123.067 2.511 . . . . 2.13 112.365 179.718 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 31.5 Cg_exo -59.97 161.72 18.19 Favored 'Trans proline' 0 C--N 1.344 0.322 0 C-N-CA 122.787 2.325 . . . . 1.36 111.855 177.288 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 40.3 mt -105.57 173.08 6.46 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 116.097 -0.502 . . . . 1.77 111.122 -176.543 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -55.14 -42.91 73.67 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.047 0.451 . . . . 2.12 110.983 177.51 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 33.4 mtmm -133.09 162.07 32.7 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.856 -0.611 . . . . 3.06 110.478 -178.549 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 9.1 m -92.04 -27.49 17.77 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.648 -0.705 . . . . 1.57 109.415 174.397 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 4.7 ptpp? -117.32 145.6 43.9 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.66 -0.7 . . . . 2.69 109.958 176.022 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 98.1 m-85 -130.97 142.85 50.38 Favored 'General case' 0 C--N 1.316 -0.889 0 CA-C-N 116.281 -0.418 . . . . 2.56 109.927 176.797 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 7.0 mp -95.91 103.84 15.75 Favored 'General case' 0 C--N 1.32 -0.704 0 N-CA-C 109.012 -0.736 . . . . 2.74 109.012 176.321 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 31.3 m -114.32 141.44 26.48 Favored Pre-proline 0 C--N 1.318 -0.8 0 CA-C-N 115.935 -0.575 . . . . 1.34 110.858 -175.191 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 57.1 Cg_endo -73.42 153.72 50.31 Favored 'Trans proline' 0 N--CA 1.461 -0.421 0 C-N-CA 122.297 1.998 . . . . 1.12 111.825 -179.278 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . 0.45 ' HB3' ' HB3' ' A' ' 102' ' ' ALA . 30.8 mt-30 -66.9 -13.21 61.46 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.839 -0.618 . . . . 1.73 110.396 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 22.9 tp10 -80.75 -18.58 47.26 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.356 -0.838 . . . . 3.07 110.496 179.363 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 16.6 tp -73.05 147.16 45.3 Favored 'General case' 0 N--CA 1.446 -0.625 0 CA-C-N 115.938 -0.574 . . . . 2.05 110.554 -175.022 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 76.6 p -107.27 164.01 12.54 Favored 'General case' 0 C--N 1.316 -0.866 0 CA-C-N 115.472 -0.786 . . . . 1.39 110.58 177.063 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' MET . . . . . 0.402 ' HA ' ' HE3' ' A' ' 101' ' ' MET . 91.2 mmm -55.92 -44.14 78.03 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.935 0.398 . . . . 1.66 110.718 177.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 52.7 m -57.96 -49.73 75.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.814 -0.63 . . . . 1.84 111.711 179.647 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . 0.447 ' O ' HG13 ' A' ' 72' ' ' ILE . 78.8 mt-30 -63.94 -35.82 81.93 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 116.555 -0.293 . . . . 2.62 111.276 -177.583 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 22.1 t80 -70.3 -36.35 74.28 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.87 0.367 . . . . 2.24 110.259 -179.686 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 60.4 tp -55.75 -43.44 76.67 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.702 -0.681 . . . . 2.05 110.279 175.871 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 20.3 m -65.48 -37.12 85.9 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.862 -0.608 . . . . 1.89 110.67 176.433 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.447 HG13 ' O ' ' A' ' 68' ' ' GLN . 68.1 mt -65.66 -43.29 93.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.18 -0.464 . . . . 1.17 110.8 178.292 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 68.5 mt -56.82 -46.57 83.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-O 121.071 0.463 . . . . 1.8 110.582 176.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 37.9 ttp180 -63.63 -30.8 71.86 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.733 -0.667 . . . . 3.63 110.819 178.483 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 46.1 t -77.22 -25.38 51.59 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.165 -0.47 . . . . 1.79 111.064 179.011 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . 0.404 ' HD3' ' O ' ' A' ' 72' ' ' ILE . 9.9 mpt_? -97.17 3.76 51.41 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.501 -0.318 . . . . 3.54 111.112 -178.51 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' MET . . . . . 0.411 ' HB3' ' O ' ' A' ' 79' ' ' LEU . 12.4 mmt -55.73 130.99 45.52 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.777 -0.647 . . . . 1.55 111.076 176.42 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 73.5 t -71.05 -30.91 43.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 121.338 0.589 . . . . 2.38 109.584 174.051 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.411 ' O ' ' HB3' ' A' ' 77' ' ' MET . 43.8 tp -120.25 127.52 52.48 Favored 'General case' 0 C--N 1.319 -0.758 0 N-CA-C 108.639 -0.875 . . . . 2.86 108.639 174.338 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 38.6 ttm180 -54.29 121.05 7.42 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 121.083 0.468 . . . . 5.06 111.33 -175.645 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -95.42 112.39 24.11 Favored 'General case' 0 N--CA 1.448 -0.547 0 CA-C-N 115.511 -0.768 . . . . 3.52 110.384 -179.856 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 9.0 t -106.99 -3.77 19.75 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-O 121.6 0.714 . . . . 4.81 109.495 178.37 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 1.4 pm0 -96.63 152.43 18.66 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.052 -0.976 . . . . 3.64 109.565 175.624 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -79.45 135.98 36.81 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.373 -0.376 . . . . 1.72 110.455 179.853 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 23.2 p90 -139.0 151.02 46.49 Favored 'General case' 0 C--N 1.319 -0.755 0 N-CA-C 109.259 -0.645 . . . . 2.21 109.259 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . 0.432 ' CZ ' ' HB1' ' A' ' 120' ' ' ALA . 48.6 p90 -112.38 150.33 31.25 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 120.933 0.397 . . . . 3.6 111.158 -178.182 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.406 HD22 ' SD ' ' A' ' 117' ' ' MET . 42.6 tp -103.61 111.62 24.17 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.513 -0.767 . . . . 2.15 109.577 176.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.455 ' CD2' ' HA ' ' A' ' 91' ' ' ASN . 32.0 tp -101.94 125.65 48.67 Favored 'General case' 0 C--N 1.316 -0.853 0 CA-C-N 115.612 -0.722 . . . . 2.17 109.739 -176.897 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 21.7 t -102.37 118.9 49.93 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.742 0 CA-C-N 116.55 -0.295 . . . . 2.0 110.307 -176.278 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 65.5 t30 59.42 30.22 19.88 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-N 115.555 -0.748 . . . . 2.3 110.489 179.084 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . 0.455 ' HA ' ' CD2' ' A' ' 88' ' ' LEU . 88.2 m-20 51.32 32.1 7.92 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-N 115.62 -0.718 . . . . 2.77 111.657 -178.405 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 22.8 ttmm -132.87 -58.56 0.91 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.467 -0.333 . . . . 4.32 111.147 -176.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' SER . . . . . 0.41 ' O ' HD11 ' A' ' 88' ' ' LEU . 42.6 t -97.63 137.42 36.58 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.285 -0.416 . . . . 2.66 110.996 -175.502 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 7.4 mp -88.02 -164.57 1.13 Allowed 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 109.809 -0.441 . . . . 2.59 109.809 175.707 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 70.8 t -69.07 87.22 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-O 121.309 0.576 . . . . 4.86 110.513 177.615 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 17.7 m -69.01 97.86 0.91 Allowed 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.592 -0.731 . . . . 2.11 109.33 173.697 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.12 -24.15 66.97 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.672 -0.694 . . . . 3.31 112.324 -172.02 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 22.7 t -95.43 -17.17 21.75 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-O 120.746 0.308 . . . . 1.92 111.058 -177.27 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -85.08 138.63 32.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.231 0.539 . . . . 1.15 111.648 -174.573 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' THR . . . . . 0.415 ' O ' HG12 ' A' ' 104' ' ' ILE . 57.7 p -92.78 160.56 14.9 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.263 -0.88 . . . . 1.1 110.746 178.758 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' MET . . . . . 0.402 ' HE3' ' HA ' ' A' ' 66' ' ' MET . 0.0 OUTLIER -59.73 -28.95 67.8 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.529 -0.305 . . . . 1.58 110.969 175.206 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . 0.45 ' HB3' ' HB3' ' A' ' 62' ' ' GLN . . . -59.69 -52.27 66.24 Favored 'General case' 0 N--CA 1.451 -0.38 0 CA-C-N 116.28 -0.418 . . . . 1.13 110.222 176.823 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 28.8 mt-10 -63.0 -47.28 83.81 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.958 -0.564 . . . . 0.53 110.604 179.481 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . 0.415 HG12 ' O ' ' A' ' 100' ' ' THR . 48.7 mm -58.48 -46.64 89.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 115.407 -0.815 . . . . 1.25 111.332 -178.579 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' TYR . . . . . 0.47 ' O ' ' HB2' ' A' ' 109' ' ' LYS . 39.5 t80 -64.47 -45.61 86.64 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.705 0.288 . . . . 2.48 111.358 -178.858 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . 0.436 ' HG3' ' O ' ' A' ' 102' ' ' ALA . 97.3 mtt180 -62.85 -25.62 68.37 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.321 -0.399 . . . . 4.9 111.707 -176.733 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -99.24 -49.12 4.58 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.04 0.448 . . . . 1.77 111.47 -178.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 66.6 m-85 -97.04 18.31 15.07 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 112.405 0.52 . . . . 2.24 112.405 -171.601 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . 0.47 ' HB2' ' O ' ' A' ' 105' ' ' TYR . 40.0 ttpt -60.14 125.06 22.21 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 109.941 -0.392 . . . . 2.32 109.941 174.607 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -83.01 -179.36 7.42 Favored 'General case' 0 C--N 1.326 -0.427 0 C-N-CA 121.093 -0.243 . . . . 1.35 110.381 -178.481 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -64.68 -38.12 89.92 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 120.744 0.307 . . . . 2.97 111.478 -173.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 5.6 p30 -79.81 -12.19 59.78 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.506 -0.316 . . . . 0.77 111.574 -177.37 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 108.53 -14.86 35.5 Favored Glycine 0 N--CA 1.449 -0.44 0 C-N-CA 120.384 -0.913 . . . . 0.5 113.518 174.49 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 77.9 m-85 -85.77 155.4 21.04 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 117.081 0.441 . . . . 2.18 110.521 179.026 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . 0.486 HG12 HG21 ' A' ' 39' ' ' VAL . 3.1 p -103.33 117.55 48.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 N-CA-C 109.574 -0.528 . . . . 1.72 109.574 172.615 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 116' ' ' TYR . . . . . . . . . . . . . 74.6 m-85 -98.73 120.2 38.77 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 121.331 0.586 . . . . 2.21 111.359 -173.84 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 117' ' ' MET . . . . . 0.433 ' O ' ' HA ' ' A' ' 41' ' ' VAL . 62.6 mtt -119.09 130.78 55.78 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.156 -0.929 . . . . 1.89 109.426 178.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 118' ' ' THR . . . . . 0.58 ' HA ' ' O ' ' A' ' 42' ' ' GLU . 6.2 m -116.1 132.97 56.51 Favored 'General case' 0 C--N 1.312 -1.032 0 N-CA-C 109.593 -0.521 . . . . 1.57 109.593 -175.778 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 3.8 p90 -117.03 140.97 48.85 Favored 'General case' 0 C--N 1.325 -0.461 0 C-N-CA 120.132 -0.627 . . . . 2.0 111.678 -173.819 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . 0.432 ' HB1' ' CZ ' ' A' ' 86' ' ' TYR . . . -139.48 162.96 33.78 Favored 'General case' 0 CA--C 1.518 -0.268 0 CA-C-N 115.445 -0.798 . . . . 1.41 110.609 -176.772 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 4.6 p -65.86 131.34 46.05 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.329 -0.396 . . . . 3.18 110.424 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 8.9 tt0 -95.76 142.14 28.39 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.888 0.375 . . . . 4.9 110.977 -175.309 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -144.76 152.21 40.03 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 109.152 -0.685 . . . . 6.07 109.152 177.654 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 19.0 m -148.85 82.78 1.45 Allowed 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 121.135 0.493 . . . . 7.08 110.12 179.074 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 45.9 p90 -97.64 170.19 9.18 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.787 -0.642 . . . . 8.93 110.91 -179.217 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.097 0 CA-C-O 118.71 -1.05 . . . . 10.03 111.759 -179.37 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.784 0 N-CA-C 111.959 -0.457 . . . . 29.92 111.959 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 37.0 m 60.38 60.12 2.09 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-O 121.102 0.477 . . . . 30.07 111.101 178.889 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 88.1 mtp -83.69 119.43 73.66 Favored Pre-proline 0 C--N 1.324 -0.501 0 CA-C-N 115.972 -0.558 . . . . 27.45 110.168 179.843 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 37.9 Cg_endo -65.85 128.82 20.62 Favored 'Trans proline' 0 C--O 1.234 0.315 0 C-N-CA 122.521 2.148 . . . . 25.18 112.537 -175.635 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . 0.418 ' O ' ' HG3' ' A' ' 5' ' ' GLN . 12.6 Cg_exo -70.92 149.62 59.78 Favored 'Trans proline' 0 N--CA 1.461 -0.4 0 C-N-CA 122.711 2.274 . . . . 23.6 111.053 172.792 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.8 Cg_endo -60.6 100.08 0.15 Allowed 'Trans proline' 0 C--O 1.233 0.275 0 C-N-CA 122.653 2.235 . . . . 21.97 111.669 177.419 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . 0.418 ' HG3' ' O ' ' A' ' 3' ' ' PRO . 78.1 mt-30 -109.22 147.5 32.46 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.236 -0.438 . . . . 21.07 110.865 -176.713 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 49.6 mmtm 56.36 37.72 29.08 Favored 'General case' 0 C--O 1.232 0.162 0 CA-C-N 115.785 -0.643 . . . . 19.2 110.77 179.461 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.465 ' HB ' ' HD3' ' A' ' 8' ' ' PRO . 40.6 mm -90.17 -58.48 0.25 Allowed Pre-proline 0 CA--C 1.536 0.408 0 CA-C-N 115.798 -0.637 . . . . 16.54 112.225 -177.809 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 0.465 ' HD3' ' HB ' ' A' ' 7' ' ' ILE . 74.2 Cg_endo -73.4 90.93 0.88 Allowed 'Trans proline' 0 C--N 1.352 0.732 0 C-N-CA 121.914 1.743 . . . . 16.01 113.087 -173.663 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 26.3 t -80.82 77.29 7.69 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 109.171 -0.678 . . . . 13.99 109.171 174.452 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 29.1 m -66.05 144.02 15.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 115.762 -0.654 . . . . 12.46 111.373 -175.722 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 43.9 ttm180 -94.23 123.8 57.76 Favored Pre-proline 0 C--N 1.315 -0.903 0 CA-C-N 115.493 -0.776 . . . . 12.68 109.499 178.497 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 70.9 Cg_exo -50.06 -30.07 23.78 Favored 'Trans proline' 0 C--N 1.346 0.44 0 C-N-CA 123.343 2.695 . . . . 9.51 112.236 177.797 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 30.1 t80 55.0 72.13 0.49 Allowed 'General case' 0 C--O 1.237 0.439 0 CA-C-O 121.633 0.73 . . . . 10.27 110.214 173.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 91.5 mttt -78.45 60.41 2.61 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.094 -0.957 . . . . 8.86 110.499 -176.862 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 4.2 pt20 -64.32 135.52 56.27 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.447 -0.797 . . . . 6.88 110.215 178.316 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 41.3 ttm180 -75.5 122.43 23.84 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-N 115.791 -0.64 . . . . 7.52 109.949 179.782 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 55.8 mttp -98.16 124.01 42.51 Favored 'General case' 0 C--N 1.319 -0.734 0 N-CA-C 109.174 -0.676 . . . . 4.57 109.174 -179.29 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' SER . . . . . 0.447 ' O ' ' HG2' ' A' ' 22' ' ' ARG . 92.0 p -87.18 178.08 6.99 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.892 -0.594 . . . . 1.06 111.461 -172.091 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 32.2 tp -59.89 -47.98 83.54 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.446 0.641 . . . . 1.73 109.55 177.171 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -61.45 -39.79 92.14 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.056 -0.974 . . . . 1.6 111.62 178.769 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.424 HD11 ' H ' ' A' ' 18' ' ' SER . 78.0 mt -66.04 -35.62 75.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 C-N-CA 120.651 -0.42 . . . . 2.15 110.567 177.769 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.447 ' HG2' ' O ' ' A' ' 18' ' ' SER . 36.3 mmt180 -66.5 -38.85 88.15 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 109.459 -0.571 . . . . 3.15 109.459 178.674 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 78.5 mt-30 -60.33 -32.33 71.14 Favored 'General case' 0 N--CA 1.451 -0.38 0 CA-C-N 115.188 -0.914 . . . . 2.41 110.466 175.374 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 13.6 tp10 -75.02 -47.17 30.4 Favored 'General case' 0 C--N 1.334 -0.107 0 CA-C-O 120.521 0.201 . . . . 2.83 110.986 178.346 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . 0.411 ' O ' HG13 ' A' ' 29' ' ' ILE . 48.1 mt-10 -57.67 -48.29 79.91 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.85 0.357 . . . . 2.3 110.175 179.024 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -66.32 -36.93 78.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 116.068 -0.514 . . . . 1.92 110.697 179.533 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -58.69 -45.64 89.03 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.947 -0.569 . . . . 1.17 110.503 176.563 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -68.61 -45.65 65.71 Favored Glycine 0 N--CA 1.449 -0.493 0 C-N-CA 120.925 -0.655 . . . . 0.65 112.216 178.376 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.411 HG13 ' O ' ' A' ' 25' ' ' GLU . 94.2 mt -60.98 -49.98 82.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-O 120.479 0.181 . . . . 1.26 111.445 -179.7 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 29.5 mtp180 -69.24 -24.63 64.02 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.502 0.191 . . . . 3.86 111.479 -177.431 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -79.69 -43.91 21.82 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.859 0.361 . . . . 1.35 110.927 177.868 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 57.6 mtpt -78.19 -41.47 34.46 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.204 -0.453 . . . . 3.46 111.442 -177.275 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 57.4 m-85 -130.84 80.56 69.41 Favored Pre-proline 0 C--N 1.325 -0.482 0 CA-C-N 116.525 -0.307 . . . . 2.26 111.385 -175.11 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 33.8 Cg_endo -66.37 -20.92 54.65 Favored 'Trans proline' 0 C--N 1.344 0.308 0 C-N-CA 122.41 2.074 . . . . 0.97 112.034 174.425 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 15.9 m120 -82.32 -14.93 54.57 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.499 -0.773 . . . . 2.39 111.051 178.734 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 39.2 mmtm -103.89 154.36 19.71 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.23 -0.441 . . . . 2.46 110.103 178.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 62.9 mt -120.29 129.01 25.54 Favored Pre-proline 0 C--N 1.318 -0.797 0 CA-C-N 116.216 -0.447 . . . . 1.2 110.371 178.009 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.423 ' HB2' ' CD1' ' A' ' 114' ' ' PHE . 69.4 Cg_endo -76.91 102.19 1.59 Allowed 'Trans proline' 0 C--O 1.237 0.468 0 C-N-CA 122.611 2.208 . . . . 0.72 112.239 178.165 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 49.0 t -108.94 132.42 57.02 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 CA-C-N 115.705 -0.679 . . . . 2.06 110.044 179.705 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 45.7 t -112.68 108.17 24.84 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 N-CA-C 109.667 -0.494 . . . . 1.13 109.667 177.21 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 44.5 t -101.61 121.58 52.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-N 116.163 -0.471 . . . . 1.7 110.161 -177.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.503 ' O ' ' HA ' ' A' ' 118' ' ' THR . 42.1 mt-10 -123.04 150.07 43.57 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.983 -0.553 . . . . 2.43 110.839 -175.946 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 7.9 ptm180 -78.48 136.61 37.63 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 109.019 -0.734 . . . . 3.01 109.019 174.806 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . 0.419 ' CD2' ' HB3' ' A' ' 46' ' ' ARG . 2.7 t80 -87.89 117.58 68.64 Favored Pre-proline 0 C--N 1.319 -0.721 0 N-CA-C 110.296 -0.261 . . . . 2.55 110.296 -175.785 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 46.1 Cg_exo -58.01 -19.52 40.86 Favored 'Trans proline' 0 C--N 1.348 0.53 0 C-N-CA 123.496 2.797 . . . . 1.68 113.63 -178.298 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.419 ' HB3' ' CD2' ' A' ' 44' ' ' TYR . 27.5 tpt180 -70.91 -21.17 62.41 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.157 0.503 . . . . 4.72 110.309 176.553 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.429 ' HG2' ' CG ' ' A' ' 50' ' ' LEU . 14.7 tp10 -75.82 135.48 40.23 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.515 0.674 . . . . 2.56 110.499 178.602 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 16.0 p -67.14 -44.42 79.87 Favored 'General case' 0 N--CA 1.45 -0.473 0 CA-C-N 114.722 -1.126 . . . . 4.11 112.859 -178.116 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 48.6 t80 -161.31 68.24 0.31 Allowed 'General case' 0 CA--C 1.532 0.251 0 N-CA-C 112.491 0.552 . . . . 6.11 112.491 -175.674 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.429 ' CG ' ' HG2' ' A' ' 47' ' ' GLU . 20.1 mt -106.99 136.31 19.47 Favored Pre-proline 0 C--N 1.325 -0.488 0 N-CA-C 109.498 -0.556 . . . . 2.09 109.498 165.851 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo -69.12 139.48 42.55 Favored 'Trans proline' 0 C--O 1.232 0.208 0 C-N-CA 123.024 2.483 . . . . 2.13 113.487 -174.184 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 23.9 Cg_exo -64.62 169.89 10.67 Favored 'Trans proline' 0 C--N 1.348 0.506 0 C-N-CA 123.286 2.657 . . . . 1.36 111.744 173.668 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.443 HD21 ' HA ' ' A' ' 77' ' ' MET . 44.4 mt -107.19 155.99 19.32 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.242 0.544 . . . . 1.77 111.365 -177.611 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -68.99 -33.69 74.09 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.2 -0.909 . . . . 2.12 110.887 179.135 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 60.7 tttp -140.88 138.53 33.99 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 108.971 -0.752 . . . . 3.06 108.971 177.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 4.0 m -91.83 -33.79 14.82 Favored 'General case' 0 C--N 1.323 -0.567 0 O-C-N 123.179 0.299 . . . . 1.57 111.506 -174.197 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 54.4 mtpt -92.59 123.28 35.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.79 0.329 . . . . 2.69 110.609 179.658 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 89.8 m-85 -117.7 127.43 53.92 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 116.265 -0.425 . . . . 2.56 110.759 177.011 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 10.4 mp -106.13 102.56 11.97 Favored 'General case' 0 C--N 1.322 -0.587 0 N-CA-C 108.859 -0.793 . . . . 2.74 108.859 173.322 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 18.6 m -119.77 154.75 55.15 Favored Pre-proline 0 C--N 1.322 -0.607 0 CA-C-N 116.016 -0.538 . . . . 1.34 111.192 -173.48 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 38.5 Cg_exo -60.91 141.58 95.04 Favored 'Trans proline' 0 C--N 1.344 0.294 0 C-N-CA 122.879 2.386 . . . . 1.12 112.047 178.813 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 28.7 pt20 -70.06 -13.78 62.37 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.208 -0.451 . . . . 1.73 111.292 -178.572 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 30.1 mm-40 -87.58 -5.97 58.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.107 -0.497 . . . . 3.07 110.94 177.154 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 14.8 tp -73.41 131.86 42.33 Favored 'General case' 0 N--CA 1.449 -0.493 0 CA-C-O 121.093 0.473 . . . . 2.05 110.023 -177.264 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 70.3 p -82.43 155.6 24.57 Favored 'General case' 0 C--N 1.316 -0.891 0 CA-C-N 115.719 -0.673 . . . . 1.39 109.825 176.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' MET . . . . . 0.478 ' CE ' ' HG ' ' A' ' 87' ' ' LEU . 14.5 tpt -64.28 -25.27 67.98 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.368 -0.378 . . . . 1.66 110.51 176.811 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 94.1 m -57.91 -50.27 73.9 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-O 121.363 0.602 . . . . 1.84 110.153 173.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . 0.427 ' O ' HG13 ' A' ' 72' ' ' ILE . 48.6 mt-30 -68.49 -37.39 80.06 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.664 -0.698 . . . . 2.62 110.791 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . 0.437 ' O ' HG13 ' A' ' 73' ' ' ILE . 34.1 t80 -69.85 -40.74 75.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.904 -0.589 . . . . 2.24 110.464 -176.28 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 8.2 tt -56.42 -44.42 80.34 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.898 -0.592 . . . . 2.05 110.088 175.874 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 29.6 t -58.23 -41.86 85.07 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.621 -0.718 . . . . 1.89 110.27 175.859 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.461 ' O ' ' HG2' ' A' ' 76' ' ' ARG . 75.3 mt -64.26 -49.28 81.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.193 -0.458 . . . . 1.17 110.612 178.593 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.437 HG13 ' O ' ' A' ' 69' ' ' PHE . 75.0 mt -54.77 -46.62 74.57 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-O 120.894 0.378 . . . . 1.8 110.611 -179.837 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . 0.418 HH11 ' HD3' ' A' ' 74' ' ' ARG . 28.4 ttt180 -64.89 -34.06 77.51 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.837 -0.62 . . . . 3.63 110.389 -178.912 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 29.7 t -78.49 -22.58 47.24 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.293 -0.412 . . . . 1.79 110.961 -179.063 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . 0.461 ' HG2' ' O ' ' A' ' 72' ' ' ILE . 15.1 mmm180 -91.03 2.95 55.92 Favored 'General case' 0 C--O 1.235 0.335 0 CA-C-O 120.9 0.381 . . . . 3.54 110.617 -179.46 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' MET . . . . . 0.443 ' HA ' HD21 ' A' ' 53' ' ' LEU . 56.9 mtt -68.9 134.64 49.88 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.622 -0.717 . . . . 1.55 110.153 175.245 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 63.8 t -61.0 -31.14 49.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 115.355 -0.839 . . . . 2.38 110.873 178.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 13.7 tp -108.58 119.99 41.12 Favored 'General case' 0 C--N 1.32 -0.678 0 N-CA-C 108.747 -0.835 . . . . 2.86 108.747 175.218 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 90.3 mtt180 -85.66 143.56 28.33 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 111.989 0.366 . . . . 5.06 111.989 -168.706 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . 54.29 63.76 2.05 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-N 115.539 -0.755 . . . . 3.52 112.0 176.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 4.7 p -103.95 51.48 0.78 Allowed 'General case' 0 C--N 1.315 -0.893 0 CA-C-N 115.403 -0.817 . . . . 4.81 111.184 -179.869 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 60.65 -164.28 0.23 Allowed 'General case' 0 C--O 1.235 0.335 0 CA-C-N 115.654 -0.703 . . . . 3.64 111.204 -178.301 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -95.12 148.81 21.97 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.774 0.321 . . . . 1.72 110.8 179.297 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 6.0 p90 -128.22 152.05 48.53 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.84 -0.618 . . . . 2.21 110.145 -176.003 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 76.2 m-85 -105.41 148.9 26.63 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.959 0.409 . . . . 3.6 110.37 -178.638 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.478 ' HG ' ' CE ' ' A' ' 66' ' ' MET . 4.1 mm? -100.07 140.37 34.39 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.094 -0.503 . . . . 2.15 110.931 -175.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 91.9 mt -127.84 105.39 8.4 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.848 -0.615 . . . . 2.17 109.697 175.158 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.435 ' HB ' ' HB3' ' A' ' 93' ' ' SER . 11.4 t -103.74 123.93 57.72 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.72 0 N-CA-C 109.581 -0.526 . . . . 2.0 109.581 178.005 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 11.5 m120 57.22 29.93 17.53 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-N 115.86 -0.609 . . . . 2.3 110.694 -174.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 82.4 m-20 59.7 18.91 7.62 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-N 115.394 -0.821 . . . . 2.77 112.344 178.662 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 64.4 tttp -135.51 -59.29 0.77 Allowed 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 120.68 -0.408 . . . . 4.32 111.83 -176.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' SER . . . . . 0.435 ' HB3' ' HB ' ' A' ' 89' ' ' VAL . 9.6 t -69.06 131.52 45.16 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.887 0.375 . . . . 2.66 110.43 -175.286 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -86.6 -168.15 2.14 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.695 -0.684 . . . . 2.59 110.352 179.734 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 2.9 p -72.75 98.72 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-O 121.683 0.754 . . . . 4.86 111.394 -179.395 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 22.6 t -94.99 89.03 5.44 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 109.307 -0.627 . . . . 2.11 109.307 174.45 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 25.3 ptt? -70.87 -20.93 62.47 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.931 -0.577 . . . . 3.31 111.779 -174.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 13.4 m -85.02 -11.57 55.1 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.986 0.422 . . . . 1.92 110.719 -176.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -84.95 144.28 28.43 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.083 -0.508 . . . . 1.15 110.504 -178.608 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' THR . . . . . 0.421 ' OG1' ' HG3' ' A' ' 103' ' ' GLU . 48.6 p -85.47 160.96 19.59 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 116.305 -0.407 . . . . 1.1 110.432 177.049 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' MET . . . . . 0.505 ' HE1' ' HA ' ' A' ' 101' ' ' MET . 32.0 mmt -56.48 -36.76 69.47 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.843 0.354 . . . . 1.58 110.418 176.524 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -57.92 -51.18 70.71 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.786 -0.643 . . . . 1.13 111.19 179.158 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . 0.421 ' HG3' ' OG1' ' A' ' 100' ' ' THR . 32.5 mt-10 -60.96 -48.37 82.13 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.3 -0.409 . . . . 0.53 111.164 179.75 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 43.1 mm -58.57 -48.03 86.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 115.652 -0.704 . . . . 1.25 110.855 -179.65 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 59.4 t80 -62.17 -43.42 98.86 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.96 0.409 . . . . 2.48 110.678 178.865 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 52.0 ttp180 -56.32 -43.93 79.44 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.664 -0.698 . . . . 4.9 111.571 -178.044 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -90.17 -36.73 14.63 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 112.656 0.613 . . . . 1.77 112.656 -174.08 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 79.1 m-85 -112.9 16.35 19.47 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 113.066 0.765 . . . . 2.24 113.066 -168.574 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 14.2 ptmm? -64.26 141.99 58.57 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.035 0.445 . . . . 2.32 110.74 175.894 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -82.7 177.36 8.72 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.947 -0.57 . . . . 1.35 109.624 178.551 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 7.7 tp10 -68.59 -32.04 71.66 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 121.024 0.44 . . . . 2.97 110.432 -178.004 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 21.3 p30 -75.57 -12.25 60.18 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.216 -0.447 . . . . 0.77 111.453 -178.347 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 106.3 -6.42 39.34 Favored Glycine 0 N--CA 1.447 -0.587 0 C-N-CA 120.464 -0.875 . . . . 0.5 113.236 175.312 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' PHE . . . . . 0.423 ' CD1' ' HB2' ' A' ' 38' ' ' PRO . 80.1 m-85 -94.42 157.84 15.83 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 117.011 0.406 . . . . 2.18 110.352 177.653 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 5.9 p -109.13 112.88 42.44 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.699 0 CA-C-O 121.38 0.61 . . . . 1.72 109.69 172.437 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 116' ' ' TYR . . . . . . . . . . . . . 94.5 m-85 -94.69 114.49 26.43 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.742 -0.663 . . . . 2.21 110.837 -175.705 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 117' ' ' MET . . . . . . . . . . . . . 82.9 mtp -118.68 119.76 35.4 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 115.602 -0.726 . . . . 1.89 110.11 -178.315 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 118' ' ' THR . . . . . 0.503 ' HA ' ' O ' ' A' ' 42' ' ' GLU . 3.9 p -102.19 150.7 23.02 Favored 'General case' 0 C--N 1.315 -0.932 0 CA-C-N 115.905 -0.588 . . . . 1.57 110.149 178.189 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 8.4 p90 -117.71 143.68 45.98 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-O 121.142 0.496 . . . . 2.0 110.56 174.839 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -154.68 157.0 37.45 Favored 'General case' 0 N--CA 1.447 -0.624 0 CA-C-N 115.394 -0.821 . . . . 1.41 110.093 -178.339 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 49.9 m 70.48 139.09 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.063 0.852 . . . . 3.18 111.479 178.279 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 6.4 pt20 -124.56 142.52 51.28 Favored 'General case' 0 C--N 1.316 -0.876 0 CA-C-N 115.134 -0.939 . . . . 4.9 110.049 -178.666 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 26.6 tt0 -83.95 76.25 10.06 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 116.085 -0.507 . . . . 6.07 110.35 -176.574 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 7.8 p -76.62 66.43 2.59 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.502 -0.772 . . . . 7.08 110.698 178.262 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 53.3 t80 -130.36 -56.85 1.08 Allowed 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.638 -0.71 . . . . 8.93 109.67 -179.059 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.183 0 CA-C-O 118.432 -1.205 . . . . 10.03 111.327 179.15 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.642 0 N-CA-C 111.68 -0.568 . . . . 29.92 111.68 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 16.7 t -156.92 122.97 4.85 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 109.904 -0.406 . . . . 30.07 109.904 -179.872 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.4 ptt? -75.14 144.79 79.51 Favored Pre-proline 0 C--N 1.327 -0.403 0 CA-C-N 116.154 -0.475 . . . . 27.45 110.076 178.335 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . 0.406 ' HA ' ' HD3' ' A' ' 3' ' ' PRO . 18.9 Cg_endo -59.27 128.56 27.95 Favored 'Trans proline' 0 C--N 1.345 0.352 0 C-N-CA 122.546 2.164 . . . . 25.18 111.513 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . 0.406 ' HD3' ' HA ' ' A' ' 2' ' ' PRO . 15.3 Cg_exo -68.13 123.53 10.73 Favored 'Trans proline' 0 C--O 1.235 0.334 0 C-N-CA 122.669 2.246 . . . . 23.6 112.492 -179.107 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 15.0 Cg_exo -68.67 100.38 0.69 Allowed 'Trans proline' 0 N--CA 1.461 -0.423 0 C-N-CA 122.651 2.234 . . . . 21.97 110.94 173.44 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 25.4 pt20 -68.48 120.12 14.04 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.333 0.587 . . . . 21.07 111.505 -176.052 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -140.04 71.75 1.38 Allowed 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.418 -0.81 . . . . 19.2 109.566 176.476 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.47 ' N ' ' HD2' ' A' ' 8' ' ' PRO . 37.4 mm -54.67 -52.99 65.36 Favored Pre-proline 0 CA--C 1.537 0.465 0 CA-C-N 114.945 -1.025 . . . . 16.54 112.819 -171.039 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 0.47 ' HD2' ' N ' ' A' ' 7' ' ' ILE . 12.3 Cg_endo -56.17 -57.89 1.28 Allowed 'Trans proline' 0 C--N 1.354 0.825 0 C-N-CA 121.993 1.796 . . . . 16.01 112.215 178.323 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 25.3 t -175.24 -58.23 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 109.11 -0.7 . . . . 13.99 109.11 177.648 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 30.5 m -140.46 167.37 18.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 115.621 -0.718 . . . . 12.46 109.76 177.382 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.409 ' HD3' ' CZ ' ' A' ' 13' ' ' PHE . 57.1 ttt180 -138.77 129.16 14.94 Favored Pre-proline 0 C--N 1.321 -0.635 0 N-CA-C 110.03 -0.359 . . . . 12.68 110.03 177.379 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 8.1 Cg_exo -71.56 107.89 2.27 Favored 'Trans proline' 0 C--O 1.235 0.364 0 C-N-CA 122.68 2.254 . . . . 9.51 112.26 179.446 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.409 ' CZ ' ' HD3' ' A' ' 11' ' ' ARG . 86.5 m-85 -105.55 -83.74 0.51 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.928 0.394 . . . . 10.27 110.686 177.2 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.547 ' HZ1' ' HB2' ' A' ' 14' ' ' LYS . 10.1 mtmp? -139.78 44.79 1.93 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.717 -0.674 . . . . 8.86 109.656 179.822 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 23.8 mt-30 -85.55 44.91 1.14 Allowed 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.32 -0.4 . . . . 6.88 111.35 -174.694 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 81.0 mtt180 71.32 -61.21 0.49 Allowed 'General case' 0 N--CA 1.464 0.275 0 O-C-N 123.835 0.709 . . . . 7.52 111.671 176.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.53 ' O ' ' HD2' ' A' ' 17' ' ' LYS . 0.0 OUTLIER -141.58 124.38 16.09 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.191 0.52 . . . . 4.57 110.967 -179.796 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' SER . . . . . 0.695 ' O ' ' HG3' ' A' ' 22' ' ' ARG . 93.2 p -75.84 169.48 18.06 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.971 -0.559 . . . . 1.06 110.121 179.291 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 38.5 tp -57.44 -47.53 81.55 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.527 0.679 . . . . 1.73 109.89 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -57.06 -45.36 83.31 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 114.738 -1.119 . . . . 1.6 111.81 178.226 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.44 ' HA ' ' HG2' ' A' ' 24' ' ' GLU . 48.4 mm -65.29 -33.92 66.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 C-N-CA 120.358 -0.537 . . . . 2.15 110.554 178.694 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.695 ' HG3' ' O ' ' A' ' 18' ' ' SER . 90.9 mtt180 -62.38 -41.45 98.65 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 109.709 -0.478 . . . . 3.15 109.709 -179.203 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 37.3 tp60 -60.09 -44.16 95.02 Favored 'General case' 0 N--CA 1.448 -0.567 0 CA-C-N 115.334 -0.848 . . . . 2.41 110.065 -179.227 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.44 ' HG2' ' HA ' ' A' ' 21' ' ' ILE . 11.5 pt-20 -76.85 -28.78 55.59 Favored 'General case' 0 C--O 1.233 0.205 0 C-N-CA 120.705 -0.398 . . . . 2.83 110.915 -178.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . 0.425 ' O ' HG13 ' A' ' 29' ' ' ILE . 29.3 tt0 -66.61 -47.68 71.89 Favored 'General case' 0 N--CA 1.451 -0.385 0 N-CA-C 109.858 -0.423 . . . . 2.3 109.858 179.824 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.621 HG21 ' O ' ' A' ' 22' ' ' ARG . 22.3 t -61.87 -40.52 87.38 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.209 -0.451 . . . . 1.92 110.109 177.369 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -57.34 -46.41 83.32 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.148 -0.478 . . . . 1.17 110.812 178.868 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -67.31 -48.18 59.76 Favored Glycine 0 N--CA 1.453 -0.199 0 CA-C-N 115.856 -0.611 . . . . 0.65 112.45 178.508 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.425 HG13 ' O ' ' A' ' 25' ' ' GLU . 87.1 mt -58.25 -44.67 88.51 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-O 120.881 0.372 . . . . 1.26 110.663 179.822 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 72.5 ttt180 -67.43 -30.65 70.44 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.996 -0.547 . . . . 3.86 110.92 -177.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -76.47 -36.59 57.78 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.2 -0.454 . . . . 1.35 110.832 179.296 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 27.8 tptp -80.31 -35.06 36.27 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.217 -0.447 . . . . 3.46 110.86 179.806 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.449 ' HB3' ' HB2' ' A' ' 36' ' ' LYS . 43.9 m-85 -125.61 86.15 57.79 Favored Pre-proline 0 C--N 1.323 -0.545 0 CA-C-N 116.292 -0.413 . . . . 2.26 110.702 -178.496 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 44.8 Cg_endo -69.64 -24.54 30.09 Favored 'Trans proline' 0 CA--C 1.529 0.245 0 C-N-CA 122.594 2.196 . . . . 0.97 112.901 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 16.6 m120 -99.93 -5.1 28.84 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.176 -0.466 . . . . 2.39 111.475 -177.791 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.449 ' HB2' ' HB3' ' A' ' 33' ' ' PHE . 45.9 mmtm -108.44 153.43 23.31 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-O 121.003 0.43 . . . . 2.46 110.756 -178.737 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 93.9 mt -123.21 128.02 25.43 Favored Pre-proline 0 C--N 1.322 -0.612 0 CA-C-N 115.72 -0.673 . . . . 1.2 110.525 -179.719 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo -80.05 105.11 1.74 Allowed 'Trans proline' 0 C--O 1.238 0.513 0 C-N-CA 122.736 2.291 . . . . 0.72 112.667 178.424 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 34.3 m -107.7 142.69 19.77 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 CA-C-N 115.966 -0.561 . . . . 2.06 110.422 178.188 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 45.8 t -118.03 122.74 70.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-N 116.049 -0.523 . . . . 1.13 109.833 179.709 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 61.3 t -108.82 125.12 65.83 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-O 121.204 0.526 . . . . 1.7 111.06 -177.069 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.455 ' O ' ' HA ' ' A' ' 118' ' ' THR . 8.6 tp10 -112.03 139.39 47.58 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.514 -0.766 . . . . 2.43 109.681 178.769 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.431 ' HD2' ' O ' ' A' ' 50' ' ' LEU . 16.5 ptt180 -82.29 140.66 33.47 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 109.233 -0.654 . . . . 3.01 109.233 176.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 1.8 t80 -60.81 115.51 14.21 Favored Pre-proline 0 C--N 1.325 -0.457 0 CA-C-N 116.338 -0.392 . . . . 2.55 110.341 -177.316 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 35.6 Cg_endo -65.19 -20.17 62.7 Favored 'Trans proline' 0 C--N 1.344 0.322 0 C-N-CA 122.931 2.421 . . . . 1.68 112.796 -173.618 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 21.4 mmt180 -83.57 -18.63 37.65 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.044 0.45 . . . . 4.72 110.087 -179.793 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 36.2 mm-40 -89.04 153.07 21.3 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.92 -0.582 . . . . 2.56 111.256 -179.811 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 11.6 m -120.06 -15.11 8.79 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 115.506 -0.77 . . . . 4.11 110.293 177.641 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 30.2 t80 -65.8 -37.35 86.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.804 -0.634 . . . . 6.11 111.635 -179.112 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.431 ' O ' ' HD2' ' A' ' 43' ' ' ARG . 93.0 mt -102.62 110.84 64.0 Favored Pre-proline 0 C--N 1.325 -0.468 0 CA-C-O 121.13 0.49 . . . . 2.09 111.765 -174.68 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -78.26 164.57 26.6 Favored 'Trans proline' 0 C--O 1.234 0.277 0 C-N-CA 123.537 2.825 . . . . 2.13 111.368 171.892 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 17.7 Cg_endo -59.66 139.9 91.03 Favored 'Trans proline' 0 C--N 1.344 0.293 0 C-N-CA 122.444 2.096 . . . . 1.36 112.097 177.448 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 55.2 mt -81.68 171.72 14.26 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.905 -0.588 . . . . 1.77 110.788 -178.654 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -70.48 -11.23 60.79 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.044 -0.525 . . . . 2.12 111.049 177.481 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 67.9 mttm -140.5 137.19 33.65 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.112 -0.495 . . . . 3.06 110.489 178.322 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 24.2 m -98.62 -28.42 13.56 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 121.555 0.693 . . . . 1.57 109.228 172.861 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 55.6 mtpt -115.5 132.05 56.74 Favored 'General case' 0 N--CA 1.45 -0.446 0 CA-C-N 115.119 -0.946 . . . . 2.69 110.025 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 47.6 m-85 -119.26 145.01 46.45 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 116.182 -0.463 . . . . 2.56 110.007 -179.419 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 24.3 tp -106.98 104.26 13.89 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 109.316 -0.624 . . . . 2.74 109.316 176.124 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.4 ' HA ' ' HD3' ' A' ' 61' ' ' PRO . 18.4 m -117.08 137.45 23.9 Favored Pre-proline 0 C--N 1.321 -0.641 0 CA-C-N 116.358 -0.383 . . . . 1.34 111.472 -174.798 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . 0.4 ' HD3' ' HA ' ' A' ' 60' ' ' VAL . 23.8 Cg_exo -65.25 164.96 23.6 Favored 'Trans proline' 0 C--N 1.343 0.275 0 C-N-CA 122.684 2.256 . . . . 1.12 112.134 174.216 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 22.6 mt-30 -66.77 -25.76 66.64 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.934 -0.576 . . . . 1.73 110.927 -179.753 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 14.1 mm-40 -82.85 -3.33 56.69 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.879 -0.601 . . . . 3.07 111.076 -179.196 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -80.72 117.06 21.07 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 109.529 -0.545 . . . . 2.05 109.529 -176.139 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' THR . . . . . 0.466 ' HA ' ' HA ' ' A' ' 100' ' ' THR . 48.7 p -89.67 171.22 9.82 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.437 -0.347 . . . . 1.39 111.83 -177.69 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' MET . . . . . 0.717 ' SD ' ' HB ' ' A' ' 95' ' ' VAL . 89.2 mtp -62.07 -41.07 97.78 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.676 -0.238 . . . . 1.66 111.005 177.918 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 7.6 t -66.86 -37.55 84.64 Favored 'General case' 0 CA--C 1.533 0.315 0 CA-C-O 120.733 0.301 . . . . 1.84 110.878 179.654 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 22.7 mm-40 -65.88 -38.79 89.72 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.959 0.409 . . . . 2.62 110.074 175.015 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 38.3 t80 -69.61 -33.52 72.78 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.799 -0.637 . . . . 2.24 110.211 179.762 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 13.2 tp -56.1 -44.09 78.72 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.489 -0.778 . . . . 2.05 109.674 176.599 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 23.3 t -67.23 -36.75 82.33 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.357 -0.838 . . . . 1.89 110.462 177.219 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 64.7 mt -63.12 -45.12 99.45 Favored 'Isoleucine or valine' 0 C--O 1.233 0.199 0 CA-C-N 116.462 -0.335 . . . . 1.17 110.707 178.279 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.45 ' O ' ' HG3' ' A' ' 77' ' ' MET . 65.9 mt -59.9 -43.12 91.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.309 -0.405 . . . . 1.8 110.082 176.84 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 63.8 mtt180 -59.52 -35.73 74.74 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.186 -0.461 . . . . 3.63 111.108 176.177 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 16.5 t -69.63 -36.39 76.08 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.197 -0.456 . . . . 1.79 110.387 -179.672 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 28.0 mmt180 -91.72 3.85 54.13 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.401 -0.363 . . . . 3.54 111.349 -178.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' MET . . . . . 0.45 ' HG3' ' O ' ' A' ' 73' ' ' ILE . 32.8 mtt -72.34 145.33 47.85 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.236 -0.438 . . . . 1.55 110.587 175.362 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 33.7 m -87.6 -8.32 10.98 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 CA-C-N 115.734 -0.667 . . . . 2.38 110.004 174.132 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 91.0 mt -102.89 162.28 13.06 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.532 -0.758 . . . . 2.86 110.404 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 9.9 ptp180 -67.42 135.13 52.67 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.015 -0.539 . . . . 5.06 109.961 175.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -84.34 44.87 1.06 Allowed 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.215 0.531 . . . . 3.52 111.608 -177.122 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 1.2 m -92.08 -2.82 56.43 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.791 -0.64 . . . . 4.81 110.379 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -124.95 174.01 8.27 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.592 -0.731 . . . . 3.64 110.51 -176.308 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -118.03 163.25 16.87 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.202 -0.454 . . . . 1.72 111.217 -177.108 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . 0.431 ' HA ' ' O ' ' A' ' 121' ' ' SER . 19.9 p90 -154.52 151.66 29.16 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.375 -0.83 . . . . 2.21 109.141 -176.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . 0.406 ' CD1' ' HA ' ' A' ' 122' ' ' GLN . 62.4 m-85 -106.81 136.98 45.71 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 120.83 0.348 . . . . 3.6 110.956 -177.101 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 40.2 tp -100.01 111.74 24.03 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.824 -0.625 . . . . 2.15 110.054 179.527 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -100.42 145.89 27.68 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.79 -0.641 . . . . 2.17 110.792 -177.077 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.417 HG13 ' CD1' ' A' ' 108' ' ' TYR . 57.4 t -103.03 117.62 48.72 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 N-CA-C 109.11 -0.7 . . . . 2.0 109.11 172.69 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . 0.449 ' O ' ' HG3' ' A' ' 92' ' ' LYS . 95.6 m-20 55.58 32.36 19.0 Favored 'General case' 0 N--CA 1.466 0.327 0 O-C-N 123.629 0.581 . . . . 2.3 110.786 -174.866 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 81.8 m-20 66.13 10.38 7.03 Favored 'General case' 0 N--CA 1.468 0.425 0 CA-C-N 115.045 -0.979 . . . . 2.77 112.274 177.401 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . 0.449 ' HG3' ' O ' ' A' ' 90' ' ' ASN . 54.2 mttp -125.8 -70.3 0.74 Allowed 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 112.261 0.467 . . . . 4.32 112.261 -174.119 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 23.0 t -73.59 136.82 43.99 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.05 -0.523 . . . . 2.66 112.278 -168.772 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 46.1 mt -109.7 117.18 33.23 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.277 -0.874 . . . . 2.59 109.478 172.529 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.717 ' HB ' ' SD ' ' A' ' 66' ' ' MET . 5.1 t -95.58 155.01 3.39 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.71 0 CA-C-O 120.845 0.355 . . . . 4.86 110.421 -176.498 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 14.6 m -58.82 130.54 47.44 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.754 -0.657 . . . . 2.11 110.882 179.165 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 2.3 ppp? -64.86 -14.63 60.17 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.088 -0.505 . . . . 3.31 111.941 -176.45 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 2.7 p -90.8 -3.22 57.57 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.857 -0.611 . . . . 1.92 111.228 -178.857 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -78.35 141.5 38.37 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.033 -0.53 . . . . 1.15 110.758 -179.536 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' THR . . . . . 0.474 ' O ' HG12 ' A' ' 104' ' ' ILE . 73.4 p -84.07 152.39 24.39 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.678 -0.692 . . . . 1.1 110.284 179.529 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 20.5 mmt -61.79 -23.75 66.41 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.103 -0.499 . . . . 1.58 110.875 176.854 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . 0.431 ' O ' ' HG2' ' A' ' 106' ' ' ARG . . . -57.64 -51.67 68.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.029 0.443 . . . . 1.13 109.962 172.212 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 26.6 mt-10 -63.01 -43.3 99.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.783 -0.644 . . . . 0.53 110.309 176.434 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . 0.474 HG12 ' O ' ' A' ' 100' ' ' THR . 51.2 mm -57.44 -48.18 83.35 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 115.507 -0.77 . . . . 1.25 110.96 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 84.8 t80 -59.47 -49.63 77.05 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.423 -0.353 . . . . 2.48 111.064 179.477 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . 0.431 ' HG2' ' O ' ' A' ' 102' ' ' ALA . 27.3 mmm180 -58.38 -30.81 67.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 4.9 111.815 -176.402 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -98.11 -47.55 5.45 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 112.61 0.596 . . . . 1.77 112.61 -176.784 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' TYR . . . . . 0.417 ' CD1' HG13 ' A' ' 89' ' ' VAL . 52.8 m-85 -108.89 17.7 21.51 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 113.226 0.824 . . . . 2.24 113.226 -166.314 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 22.1 pttp -65.86 141.06 58.39 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 109.454 -0.573 . . . . 2.32 109.454 172.105 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . 0.402 ' CG ' ' H ' ' A' ' 111' ' ' GLU . 6.4 t70 -90.41 -172.04 3.3 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.565 -0.289 . . . . 1.35 110.618 -175.36 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . 0.402 ' H ' ' CG ' ' A' ' 110' ' ' ASP . 38.5 tt0 -58.76 -42.21 88.34 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.03 0.443 . . . . 2.97 111.355 -176.017 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 4.0 p30 -80.64 -12.04 59.55 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.961 -0.563 . . . . 0.77 111.756 -176.282 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 108.64 -20.57 29.46 Favored Glycine 0 N--CA 1.449 -0.439 0 C-N-CA 120.528 -0.844 . . . . 0.5 113.113 176.872 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 56.5 m-85 -75.35 152.93 38.05 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.887 0.375 . . . . 2.18 110.462 179.616 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 43.5 t -95.89 108.62 21.38 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 N-CA-C 109.464 -0.569 . . . . 1.72 109.464 174.351 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 116' ' ' TYR . . . . . . . . . . . . . 96.2 m-85 -96.79 114.99 26.67 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.11 0.481 . . . . 2.21 111.038 -177.819 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 117' ' ' MET . . . . . . . . . . . . . 67.9 mtm -122.84 146.57 47.43 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.629 -0.714 . . . . 1.89 109.948 178.56 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 118' ' ' THR . . . . . 0.455 ' HA ' ' O ' ' A' ' 42' ' ' GLU . 53.3 m -123.0 134.36 54.32 Favored 'General case' 0 C--N 1.316 -0.865 0 N-CA-C 109.594 -0.521 . . . . 1.57 109.594 -178.109 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -117.73 141.47 48.37 Favored 'General case' 0 C--N 1.321 -0.641 0 C-N-CA 120.095 -0.642 . . . . 2.0 110.861 -176.718 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -135.42 169.33 17.66 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.35 -0.841 . . . . 1.41 110.273 -177.21 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 121' ' ' SER . . . . . 0.431 ' O ' ' HA ' ' A' ' 85' ' ' PHE . 2.6 m -62.19 -76.07 0.06 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 123.205 0.316 . . . . 3.18 111.347 -176.843 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 122' ' ' GLN . . . . . 0.406 ' HA ' ' CD1' ' A' ' 86' ' ' TYR . 0.2 OUTLIER -157.36 147.62 20.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.595 -0.275 . . . . 4.9 110.309 178.931 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -114.33 151.96 32.18 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 110.169 -0.308 . . . . 6.07 110.169 179.275 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 7.1 m 55.92 51.67 11.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.62 0.724 . . . . 7.08 110.737 177.897 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 63.3 t80 -120.5 -62.56 1.45 Allowed 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.681 -0.69 . . . . 8.93 109.974 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.983 0 CA-C-O 118.082 -1.399 . . . . 10.03 111.33 -179.702 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.672 0 N-CA-C 111.73 -0.548 . . . . 29.92 111.73 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 19.8 m 58.47 64.13 1.54 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.213 0.53 . . . . 30.07 110.487 -179.684 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 12.9 tmm? -77.96 118.45 72.23 Favored Pre-proline 0 C--N 1.325 -0.485 0 CA-C-N 115.674 -0.694 . . . . 27.45 109.541 -178.707 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 60.5 Cg_endo -76.79 128.14 9.92 Favored 'Trans proline' 0 N--CA 1.459 -0.515 0 C-N-CA 122.172 1.915 . . . . 25.18 112.315 -179.692 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 30.6 Cg_endo -65.08 126.32 16.24 Favored 'Trans proline' 0 N--CA 1.462 -0.374 0 C-N-CA 122.37 2.047 . . . . 23.6 111.555 178.85 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_exo -55.53 99.22 0.07 OUTLIER 'Trans proline' 0 C--N 1.346 0.404 0 C-N-CA 123.063 2.509 . . . . 21.97 112.733 -178.676 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 30.4 mm-40 54.86 63.02 2.27 Favored 'General case' 0 C--O 1.231 0.113 0 CA-C-N 115.392 -0.822 . . . . 21.07 111.743 178.164 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -72.26 126.21 29.24 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.285 -0.416 . . . . 19.2 109.95 177.76 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 36.2 pt -72.56 144.57 86.43 Favored Pre-proline 0 C--N 1.323 -0.562 0 CA-C-N 116.207 -0.451 . . . . 16.54 110.944 -179.733 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo -74.34 65.08 5.44 Favored 'Trans proline' 0 N--CA 1.464 -0.245 0 C-N-CA 122.727 2.285 . . . . 16.01 111.767 177.492 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 47.4 t -124.42 136.05 53.75 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.728 -0.669 . . . . 13.99 110.036 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 27.6 m -91.41 15.46 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-N 116.243 -0.435 . . . . 12.46 110.715 178.579 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 34.1 ttm180 -128.66 80.61 72.29 Favored Pre-proline 0 C--N 1.326 -0.413 0 CA-C-N 115.903 -0.59 . . . . 12.68 110.212 178.253 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 33.1 Cg_exo -60.78 -33.13 93.36 Favored 'Trans proline' 0 C--O 1.235 0.354 0 C-N-CA 122.686 2.257 . . . . 9.51 111.785 177.153 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 50.2 t80 53.59 66.79 1.13 Allowed 'General case' 0 C--O 1.233 0.217 0 CA-C-O 121.503 0.668 . . . . 10.27 110.85 179.475 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -128.32 42.54 3.3 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.636 -0.711 . . . . 8.86 109.542 178.187 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 64.8 tt0 -68.67 -38.24 80.22 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.321 -0.854 . . . . 6.88 110.029 178.647 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 15.7 ptm180 -81.74 148.61 28.85 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.939 -0.573 . . . . 7.52 110.324 177.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 66.8 mttm -121.21 156.77 31.71 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.014 -0.539 . . . . 4.57 110.134 179.792 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' SER . . . . . 0.622 ' O ' ' HG3' ' A' ' 22' ' ' ARG . 96.4 p -69.33 164.93 21.75 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.505 -0.316 . . . . 1.06 110.219 179.72 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 43.5 tp -57.19 -46.93 82.41 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.498 0.666 . . . . 1.73 110.093 -178.4 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -56.88 -48.28 78.52 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 114.895 -1.048 . . . . 1.6 112.11 176.811 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 71.2 mt -67.17 -29.58 46.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 C-N-CA 120.334 -0.546 . . . . 2.15 110.767 -179.719 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.622 ' HG3' ' O ' ' A' ' 18' ' ' SER . 75.7 mtt180 -65.51 -39.25 91.62 Favored 'General case' 0 CA--C 1.515 -0.396 0 N-CA-C 109.442 -0.577 . . . . 3.15 109.442 177.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 46.0 tp60 -59.66 -38.61 81.92 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.497 -0.774 . . . . 2.41 109.623 176.408 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -74.9 -31.73 61.65 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.867 -0.606 . . . . 2.83 110.55 -179.834 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 30.8 tt0 -67.77 -48.31 66.72 Favored 'General case' 0 CA--C 1.514 -0.412 0 N-CA-C 109.588 -0.523 . . . . 2.3 109.588 179.573 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.584 HG23 ' O ' ' A' ' 22' ' ' ARG . 20.6 t -59.14 -38.77 76.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.004 -0.544 . . . . 1.92 109.77 174.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -58.4 -47.04 85.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.465 -0.789 . . . . 1.17 110.704 177.116 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -69.46 -46.0 57.67 Favored Glycine 0 N--CA 1.447 -0.578 0 C-N-CA 120.943 -0.646 . . . . 0.65 112.491 179.426 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 96.6 mt -61.5 -51.46 72.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 C-N-CA 122.216 0.206 . . . . 1.26 111.325 -178.075 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 80.4 ttt180 -67.56 -30.13 69.68 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.891 0.377 . . . . 3.86 111.18 -175.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -74.9 -25.6 59.05 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.9 0.381 . . . . 1.35 111.003 177.452 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 64.2 tttm -91.16 -36.24 14.08 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.173 -0.467 . . . . 3.46 110.563 -178.467 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 91.3 m-85 -129.56 83.12 65.72 Favored Pre-proline 0 C--N 1.325 -0.497 0 CA-C-N 116.052 -0.522 . . . . 2.26 110.496 178.608 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 31.9 Cg_endo -64.68 -25.94 61.27 Favored 'Trans proline' 0 C--O 1.234 0.32 0 C-N-CA 122.418 2.079 . . . . 0.97 112.512 -179.167 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 95.4 m-20 -86.01 -7.31 58.73 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.207 -0.451 . . . . 2.39 111.411 -177.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 61.7 mttp -119.83 146.47 45.69 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.279 0.562 . . . . 2.46 111.425 179.824 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 63.6 mt -116.68 129.18 25.47 Favored Pre-proline 0 C--N 1.32 -0.691 0 CA-C-N 115.319 -0.855 . . . . 1.2 109.787 -179.869 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 59.6 Cg_endo -74.28 110.66 3.14 Favored 'Trans proline' 0 N--CA 1.462 -0.343 0 C-N-CA 122.448 2.099 . . . . 0.72 112.523 179.192 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 7.1 p -108.37 137.15 41.46 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 CA-C-N 115.837 -0.619 . . . . 2.06 110.526 179.635 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.416 HG22 ' HG2' ' A' ' 57' ' ' LYS . 16.2 t -109.91 119.8 59.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 116.053 -0.521 . . . . 1.13 109.666 179.002 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 24.6 t -97.99 121.4 48.49 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.694 0 CA-C-O 121.073 0.464 . . . . 1.7 110.741 -178.137 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.409 ' O ' ' HA ' ' A' ' 118' ' ' THR . 9.5 tp10 -112.02 140.55 46.6 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.782 -0.645 . . . . 2.43 110.057 -178.547 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 53.4 mtp180 -76.81 127.9 33.61 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 109.355 -0.609 . . . . 3.01 109.355 178.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . 0.519 ' CB ' ' HB3' ' A' ' 120' ' ' ALA . 11.0 t80 -58.21 133.87 84.51 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-N 116.421 -0.354 . . . . 2.55 110.611 -176.035 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . 0.43 ' HD3' ' HA ' ' A' ' 44' ' ' TYR . 52.3 Cg_exo -56.89 -21.77 42.46 Favored 'Trans proline' 0 C--N 1.347 0.479 0 C-N-CA 123.493 2.795 . . . . 1.68 113.898 -177.374 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 30.1 mmm180 -95.12 -6.77 41.14 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.096 0.474 . . . . 4.72 110.803 179.415 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.464 ' CD ' ' HB2' ' A' ' 50' ' ' LEU . 11.6 tp10 -88.36 138.25 31.6 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.932 -0.576 . . . . 2.56 110.426 -179.345 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -141.04 -13.87 0.92 Allowed 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 112.972 0.73 . . . . 4.11 112.972 -177.211 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 85.7 m-85 -123.48 9.58 9.07 Favored 'General case' 0 C--N 1.329 -0.326 0 O-C-N 122.008 -0.433 . . . . 6.11 111.971 -174.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.464 ' HB2' ' CD ' ' A' ' 47' ' ' GLU . 2.1 tt -94.15 114.34 62.99 Favored Pre-proline 0 C--N 1.323 -0.573 0 N-CA-C 109.142 -0.688 . . . . 2.09 109.142 176.227 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 84.7 Cg_exo -48.55 129.42 19.97 Favored 'Trans proline' 0 CA--C 1.531 0.361 0 C-N-CA 123.548 2.832 . . . . 2.13 113.322 -179.737 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_exo -58.75 166.98 5.8 Favored 'Trans proline' 0 C--N 1.348 0.533 0 C-N-CA 123.188 2.592 . . . . 1.36 112.199 177.184 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 49.2 mt -97.74 158.57 15.44 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 116.39 -0.368 . . . . 1.77 111.1 -177.81 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -64.55 -37.4 87.42 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.216 -0.447 . . . . 2.12 110.475 179.585 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.489 ' HB2' ' CE1' ' A' ' 58' ' ' PHE . 75.4 mmtt -124.02 160.21 28.15 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.017 -0.538 . . . . 3.06 109.688 179.164 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 16.9 m -109.09 -31.29 7.67 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.159 0.505 . . . . 1.57 110.272 -179.541 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.416 ' HG2' HG22 ' A' ' 40' ' ' VAL . 94.4 mttt -117.91 112.05 19.82 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.739 -0.664 . . . . 2.69 110.073 179.528 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 0.489 ' CE1' ' HB2' ' A' ' 55' ' ' LYS . 97.8 m-85 -105.17 140.54 38.17 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-N 116.01 -0.541 . . . . 2.56 110.421 -178.329 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 6.7 mp -96.54 103.45 15.37 Favored 'General case' 0 C--N 1.319 -0.75 0 N-CA-C 108.421 -0.955 . . . . 2.74 108.421 173.078 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 21.4 m -111.15 138.31 21.21 Favored Pre-proline 0 C--N 1.321 -0.673 0 CA-C-N 115.999 -0.546 . . . . 1.34 111.384 -173.442 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 43.1 Cg_exo -57.49 141.73 95.15 Favored 'Trans proline' 0 N--CA 1.466 -0.147 0 C-N-CA 122.804 2.336 . . . . 1.12 111.998 177.193 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 4.5 pt20 -65.41 -19.71 66.06 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.142 -0.481 . . . . 1.73 110.505 177.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 43.9 tt0 -78.08 -15.68 58.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.375 -0.83 . . . . 3.07 110.827 177.601 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 17.1 tp -70.84 133.6 46.63 Favored 'General case' 0 N--CA 1.448 -0.542 0 CA-C-O 121.213 0.53 . . . . 2.05 110.353 -176.478 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' THR . . . . . 0.404 ' HA ' ' HA ' ' A' ' 100' ' ' THR . 76.0 p -90.2 162.4 15.26 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 115.554 -0.748 . . . . 1.39 110.958 177.758 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 57.7 mmm -56.25 -44.05 79.31 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.427 -0.352 . . . . 1.66 111.672 176.523 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 9.8 t -65.05 -37.09 86.46 Favored 'General case' 0 C--O 1.235 0.34 0 CA-C-N 116.444 -0.344 . . . . 1.84 111.32 -177.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . 0.419 ' O ' HG13 ' A' ' 72' ' ' ILE . 27.5 mm-40 -70.75 -34.86 72.3 Favored 'General case' 0 C--O 1.231 0.1 0 CA-C-O 120.894 0.378 . . . . 2.62 110.674 176.277 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 53.5 t80 -69.53 -36.93 76.86 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.204 0.526 . . . . 2.24 109.864 178.399 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 65.1 tp -55.84 -46.46 78.17 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.308 -0.86 . . . . 2.05 110.832 176.647 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 2.9 p -66.41 -32.34 73.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.469 -0.332 . . . . 1.89 111.146 177.06 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.428 ' O ' ' HD3' ' A' ' 76' ' ' ARG . 47.5 mt -63.26 -40.61 89.68 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-O 120.95 0.405 . . . . 1.17 110.385 175.906 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 48.1 mm -58.53 -42.38 84.41 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 116.315 -0.402 . . . . 1.8 110.374 176.791 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . 0.431 ' HA ' ' HE2' ' A' ' 77' ' ' MET . 41.7 ttm180 -69.21 -35.49 76.26 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.895 -0.593 . . . . 3.63 111.559 -179.602 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 3.1 p -79.0 -32.13 45.03 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 111.857 0.317 . . . . 1.79 111.857 -177.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . 0.428 ' HD3' ' O ' ' A' ' 72' ' ' ILE . 11.5 mpt_? -91.19 3.64 54.3 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.051 0.453 . . . . 3.54 110.585 179.872 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' MET . . . . . 0.431 ' HE2' ' HA ' ' A' ' 74' ' ' ARG . 48.6 ttm -70.55 144.97 51.11 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.714 -0.676 . . . . 1.55 109.584 175.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 9.5 p -64.46 -17.31 20.96 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.375 0 CA-C-O 120.914 0.388 . . . . 2.38 111.267 -177.334 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 44.8 tp -122.98 133.91 54.35 Favored 'General case' 0 C--N 1.322 -0.587 0 N-CA-C 109.451 -0.574 . . . . 2.86 109.451 175.287 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 79.3 ttt180 -90.44 119.06 30.4 Favored 'General case' 0 C--N 1.32 -0.704 0 N-CA-C 109.625 -0.509 . . . . 5.06 109.625 178.002 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -170.54 143.91 2.31 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.349 -0.387 . . . . 3.52 110.599 -178.552 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 5.2 m -80.88 57.62 3.11 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.666 0.745 . . . . 4.81 109.84 176.664 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -77.1 142.32 39.82 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.354 -0.839 . . . . 3.64 110.28 -178.554 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -84.46 118.88 24.56 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 116.006 -0.543 . . . . 1.72 109.753 177.704 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . 0.437 ' CB ' ' HA ' ' A' ' 121' ' ' SER . 24.4 p90 -151.52 148.47 28.06 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.385 -0.37 . . . . 2.21 110.317 -179.345 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . 0.4 ' HE2' ' O ' ' A' ' 125' ' ' PHE . 96.9 m-85 -100.28 155.62 17.68 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 116.086 -0.506 . . . . 3.6 110.172 -178.546 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 25.2 tp -121.6 111.26 17.0 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 115.813 -0.631 . . . . 2.15 110.195 -177.738 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -88.85 138.4 31.45 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.311 -0.859 . . . . 2.17 110.116 -179.473 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 24.2 t -102.95 121.26 53.9 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.904 0 N-CA-C 109.334 -0.617 . . . . 2.0 109.334 175.867 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 64.7 t30 57.72 30.24 18.62 Favored 'General case' 0 N--CA 1.466 0.343 0 O-C-N 123.909 0.755 . . . . 2.3 110.278 -175.486 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 5.5 t30 57.15 26.04 11.66 Favored 'General case' 0 N--CA 1.467 0.392 0 CA-C-N 115.317 -0.856 . . . . 2.77 110.378 -178.054 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 62.4 tttp -118.5 -70.13 0.81 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.177 -0.465 . . . . 4.32 111.99 -174.122 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 4.8 p -106.25 149.26 27.04 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 112.192 0.442 . . . . 2.66 112.192 -171.095 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 1.8 pp -135.04 23.79 3.55 Favored 'General case' 0 C--O 1.232 0.143 0 CA-C-O 121.172 0.511 . . . . 2.59 111.161 176.122 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 2.9 t -114.21 24.15 4.8 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.68 0 CA-C-O 121.808 0.814 . . . . 4.86 110.089 -177.148 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 9.6 m -105.49 88.8 2.93 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.803 -0.635 . . . . 2.11 109.594 176.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 4.6 mpp? -93.17 -33.2 14.11 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.884 0.373 . . . . 3.31 111.246 179.183 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 12.6 t -102.98 -8.37 20.69 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.982 -0.554 . . . . 1.92 111.056 -174.27 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -62.84 137.36 58.25 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.133 -0.485 . . . . 1.15 110.558 178.422 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' THR . . . . . 0.404 ' HA ' ' HA ' ' A' ' 65' ' ' THR . 55.9 p -90.09 161.72 15.66 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 116.446 -0.343 . . . . 1.1 110.736 178.611 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' MET . . . . . 0.411 ' HE3' ' HA ' ' A' ' 101' ' ' MET . 31.8 mmt -55.97 -35.97 67.32 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.825 0.345 . . . . 1.58 110.276 177.121 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . 0.527 ' O ' ' HG2' ' A' ' 106' ' ' ARG . . . -60.16 -52.22 66.27 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.99 -0.55 . . . . 1.13 111.046 179.403 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 33.0 mt-10 -63.76 -41.14 98.05 Favored 'General case' 0 C--O 1.237 0.404 0 CA-C-O 121.205 0.526 . . . . 0.53 110.537 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 32.5 mm -58.1 -47.9 85.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-N 115.244 -0.889 . . . . 1.25 110.638 177.534 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 65.5 t80 -59.04 -46.47 88.13 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.293 -0.412 . . . . 2.48 111.29 178.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . 0.527 ' HG2' ' O ' ' A' ' 102' ' ' ALA . 33.2 mmt180 -59.45 -32.78 70.53 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.284 -0.416 . . . . 4.9 111.859 -175.536 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -97.3 -47.42 5.72 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.047 0.451 . . . . 1.77 111.769 -177.403 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 76.0 m-85 -101.96 19.64 18.02 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 113.379 0.881 . . . . 2.24 113.379 -169.334 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 60.2 pttt -63.63 136.58 57.61 Favored 'General case' 0 C--N 1.326 -0.441 0 C-N-CA 120.501 -0.48 . . . . 2.32 110.361 174.873 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -85.98 -175.16 5.45 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.194 -0.457 . . . . 1.35 110.045 -178.499 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 11.4 tp10 -58.87 -42.6 89.84 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.095 0.474 . . . . 2.97 111.044 -177.528 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 5.2 p30 -82.41 -13.27 57.09 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.924 -0.58 . . . . 0.77 111.645 -175.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 104.83 -7.16 44.8 Favored Glycine 0 N--CA 1.446 -0.675 0 C-N-CA 120.472 -0.871 . . . . 0.5 112.888 179.608 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' PHE . . . . . 0.408 ' HB2' ' CE1' ' A' ' 116' ' ' TYR . 34.0 m-85 -76.76 154.6 33.88 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 117.101 0.45 . . . . 2.18 110.404 176.48 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 48.4 t -101.75 109.23 25.46 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.664 0 N-CA-C 109.151 -0.685 . . . . 1.72 109.151 172.405 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 116' ' ' TYR . . . . . 0.408 ' CE1' ' HB2' ' A' ' 114' ' ' PHE . 79.5 m-85 -94.26 122.7 37.07 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 121.062 0.458 . . . . 2.21 110.393 -178.676 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 117' ' ' MET . . . . . . . . . . . . . 92.1 mtp -126.37 143.31 51.22 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.723 -0.672 . . . . 1.89 110.118 -178.578 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 118' ' ' THR . . . . . 0.409 ' HA ' ' O ' ' A' ' 42' ' ' GLU . 0.8 OUTLIER -118.95 134.67 55.03 Favored 'General case' 0 C--N 1.317 -0.83 0 CA-C-N 116.135 -0.484 . . . . 1.57 110.095 -171.677 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -124.82 143.84 50.6 Favored 'General case' 0 C--N 1.323 -0.555 0 C-N-CA 120.096 -0.642 . . . . 2.0 111.58 -177.409 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . 0.519 ' HB3' ' CB ' ' A' ' 44' ' ' TYR . . . -150.64 141.84 23.18 Favored 'General case' 0 N--CA 1.463 0.192 0 CA-C-N 115.63 -0.713 . . . . 1.41 110.512 -177.917 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 121' ' ' SER . . . . . 0.438 ' N ' HD13 ' A' ' 50' ' ' LEU . 16.2 t -77.15 -22.31 52.76 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.023 0.44 . . . . 3.18 110.042 -178.49 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 34.0 tt0 -140.99 131.56 25.45 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.062 -0.517 . . . . 4.9 109.858 176.367 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 4.1 tm-20 -150.79 -72.4 0.17 Allowed 'General case' 0 C--N 1.319 -0.737 0 N-CA-C 107.795 -1.187 . . . . 6.07 107.795 177.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 39.4 m -109.06 86.23 2.25 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 108.27 -1.011 . . . . 7.08 108.27 167.464 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 125' ' ' PHE . . . . . 0.4 ' O ' ' HE2' ' A' ' 86' ' ' TYR . 79.6 m-85 64.36 -163.63 0.26 Allowed 'General case' 0 N--CA 1.465 0.288 0 CA-C-N 115.206 -0.907 . . . . 8.93 110.153 -172.426 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.184 0 CA-C-O 118.691 -1.06 . . . . 10.03 111.947 178.374 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.596 0 N-CA-C 111.824 -0.51 . . . . 29.92 111.824 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 11.6 m -71.73 -48.54 46.36 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 120.948 0.404 . . . . 30.07 110.556 -178.709 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.4 ptp -96.93 133.26 24.51 Favored Pre-proline 0 C--N 1.324 -0.524 0 CA-C-N 116.29 -0.414 . . . . 27.45 110.257 178.284 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 29.8 Cg_exo -62.4 129.49 26.92 Favored 'Trans proline' 0 C--N 1.344 0.314 0 C-N-CA 122.442 2.095 . . . . 25.18 111.175 176.294 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 23.0 Cg_endo -62.41 119.07 6.0 Favored 'Trans proline' 0 CA--C 1.53 0.304 0 C-N-CA 122.504 2.136 . . . . 23.6 112.467 -175.486 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_endo -77.33 -14.95 16.17 Favored 'Trans proline' 0 C--N 1.344 0.338 0 C-N-CA 122.821 2.347 . . . . 21.97 112.814 -178.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 23.6 tt0 -85.45 -9.03 58.04 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.467 0.651 . . . . 21.07 109.799 178.222 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 58.0 tttm -100.98 73.95 1.57 Allowed 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.595 -0.73 . . . . 19.2 109.386 178.243 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.423 ' HB ' ' HD3' ' A' ' 8' ' ' PRO . 4.6 mp -73.03 -47.62 8.08 Favored Pre-proline 0 CA--C 1.537 0.447 0 CA-C-N 115.527 -0.76 . . . . 16.54 111.86 -177.942 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 0.423 ' HD3' ' HB ' ' A' ' 7' ' ' ILE . 7.9 Cg_exo -73.55 64.76 4.67 Favored 'Trans proline' 0 C--N 1.358 1.055 0 C-N-CA 122.388 2.058 . . . . 16.01 112.459 -179.324 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 68.5 m -99.42 74.01 1.89 Allowed 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.102 -0.499 . . . . 13.99 110.286 177.826 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 40.0 t -86.22 104.61 13.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-N 115.798 -0.637 . . . . 12.46 110.609 -177.702 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.457 ' HB2' ' HD3' ' A' ' 12' ' ' PRO . 57.4 mtt180 -76.9 -45.98 2.93 Favored Pre-proline 0 C--N 1.326 -0.428 0 CA-C-N 116.073 -0.512 . . . . 12.68 111.734 176.707 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.457 ' HD3' ' HB2' ' A' ' 11' ' ' ARG . 11.6 Cg_exo -72.85 101.82 1.36 Allowed 'Trans proline' 0 C--N 1.357 0.999 0 C-N-CA 121.972 1.781 . . . . 9.51 112.119 177.455 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 41.3 m-85 -74.23 139.45 44.35 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.776 -0.647 . . . . 10.27 110.535 -178.821 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 13.4 mptt 58.66 39.5 24.43 Favored 'General case' 0 N--CA 1.464 0.24 0 O-C-N 123.656 0.598 . . . . 8.86 111.353 177.733 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 23.2 tt0 -136.15 136.59 40.16 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.418 -0.356 . . . . 6.88 110.384 -179.532 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.6 ' NE ' ' HA ' ' A' ' 16' ' ' ARG . 4.7 mmp_? -120.96 52.01 1.22 Allowed 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.348 0.594 . . . . 7.52 110.36 175.805 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 65.8 mttm -125.66 123.37 38.81 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.589 -0.732 . . . . 4.57 109.648 179.274 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' SER . . . . . 0.544 ' OG ' HG12 ' A' ' 21' ' ' ILE . 83.7 p -78.76 -174.57 4.0 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.454 -0.339 . . . . 1.06 110.419 -178.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 35.6 tp -60.3 -47.91 84.0 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 121.501 0.667 . . . . 1.73 109.446 177.332 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -66.06 -40.97 91.35 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 114.933 -1.031 . . . . 1.6 111.582 178.821 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.544 HG12 ' OG ' ' A' ' 18' ' ' SER . 46.9 mm -68.81 -30.05 45.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 C-N-CA 120.329 -0.548 . . . . 2.15 110.439 179.724 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.699 ' O ' HG23 ' A' ' 26' ' ' VAL . 10.4 mmt85 -63.66 -44.0 95.09 Favored 'General case' 0 CA--C 1.512 -0.519 0 N-CA-C 109.449 -0.574 . . . . 3.15 109.449 175.169 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 8.7 tp-100 -60.46 -34.66 74.34 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.75 -0.659 . . . . 2.41 109.997 177.664 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -73.82 -35.19 64.83 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-O 121.111 0.481 . . . . 2.83 110.024 179.551 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . 0.433 ' O ' HG13 ' A' ' 29' ' ' ILE . 22.8 tp10 -64.62 -48.5 74.66 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 109.245 -0.65 . . . . 2.3 109.245 177.466 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.699 HG23 ' O ' ' A' ' 22' ' ' ARG . 10.3 t -61.63 -40.37 86.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 115.652 -0.704 . . . . 1.92 109.892 175.708 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -55.33 -47.19 76.05 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 115.684 -0.689 . . . . 1.17 110.664 177.87 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -68.09 -48.44 53.5 Favored Glycine 0 N--CA 1.448 -0.506 0 CA-C-N 115.818 -0.628 . . . . 0.65 112.436 179.143 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.433 HG13 ' O ' ' A' ' 25' ' ' GLU . 78.6 mt -58.86 -51.15 75.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-O 120.74 0.305 . . . . 1.26 111.168 -178.593 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 20.4 tpt180 -70.53 -25.86 63.31 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.158 -0.474 . . . . 3.86 111.309 -173.805 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -80.3 -37.28 33.0 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.687 0.28 . . . . 1.35 111.075 178.439 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 56.9 mtmt -85.21 -27.18 26.28 Favored 'General case' 0 C--N 1.327 -0.373 0 C-N-CA 120.997 -0.281 . . . . 3.46 110.954 -177.295 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 61.5 m-85 -137.04 86.81 19.68 Favored Pre-proline 0 C--N 1.325 -0.461 0 CA-C-N 116.059 -0.519 . . . . 2.26 110.218 -177.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 30.3 Cg_endo -62.74 -29.65 77.39 Favored 'Trans proline' 0 C--N 1.343 0.258 0 C-N-CA 122.796 2.331 . . . . 0.97 112.96 -176.19 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . 0.511 ' O ' ' HA ' ' A' ' 61' ' ' PRO . 10.9 m120 -86.1 -11.14 53.5 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.516 -0.311 . . . . 2.39 111.085 -178.405 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 39.1 ttmt -92.7 142.34 27.46 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.35 0.595 . . . . 2.46 111.05 -176.268 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 86.8 mt -129.34 123.54 21.57 Favored Pre-proline 0 C--N 1.319 -0.719 0 CA-C-N 115.255 -0.884 . . . . 1.2 110.029 179.753 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.644 ' HB2' ' CE2' ' A' ' 114' ' ' PHE . 72.1 Cg_endo -82.31 115.13 2.55 Favored 'Trans proline' 0 N--CA 1.46 -0.453 0 C-N-CA 122.56 2.173 . . . . 0.72 112.276 177.15 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 8.8 p -117.95 140.14 42.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-O 121.101 0.477 . . . . 2.06 111.193 -179.11 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 94.4 t -106.74 121.14 59.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-N 115.633 -0.712 . . . . 1.13 109.959 176.722 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 18.3 t -121.45 110.5 27.96 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 N-CA-C 109.955 -0.387 . . . . 1.7 109.955 178.541 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -134.53 162.64 31.69 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.057 0.456 . . . . 2.43 110.645 179.602 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 70.8 mtm180 -74.78 150.97 39.15 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.68 -0.691 . . . . 3.01 111.117 -174.489 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 16.4 t80 -57.23 135.1 81.06 Favored Pre-proline 0 C--N 1.323 -0.568 0 CA-C-N 115.013 -0.994 . . . . 2.55 109.095 174.17 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 11.2 Cg_endo -54.54 -28.01 53.15 Favored 'Trans proline' 0 C--N 1.346 0.438 0 C-N-CA 123.613 2.876 . . . . 1.68 113.73 -174.173 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 18.3 mtp180 -94.54 -4.07 48.65 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.943 0.402 . . . . 4.72 111.058 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 11.2 tp10 -89.14 122.25 32.26 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.104 -0.498 . . . . 2.56 110.335 -179.752 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 7.5 p -131.03 -1.79 4.07 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.066 -0.515 . . . . 4.11 111.05 178.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 56.8 t80 -91.66 -48.25 6.93 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.204 -0.453 . . . . 6.11 110.241 -179.731 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.431 HD23 ' C ' ' A' ' 120' ' ' ALA . 14.7 tp -66.76 134.1 94.14 Favored Pre-proline 0 C--N 1.324 -0.535 0 CA-C-N 116.033 -0.531 . . . . 2.09 110.085 -179.527 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . 0.421 ' HA ' ' HD3' ' A' ' 52' ' ' PRO . 60.6 Cg_endo -71.98 147.51 49.37 Favored 'Trans proline' 0 CA--C 1.531 0.331 0 C-N-CA 122.85 2.367 . . . . 2.13 113.082 -177.599 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . 0.421 ' HD3' ' HA ' ' A' ' 51' ' ' PRO . 13.5 Cg_exo -70.05 169.97 18.04 Favored 'Trans proline' 0 C--N 1.347 0.452 0 C-N-CA 123.205 2.603 . . . . 1.36 111.589 173.497 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.421 ' HG ' ' OH ' ' A' ' 119' ' ' TYR . 51.5 mt -100.8 166.96 10.6 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.62 -0.264 . . . . 1.77 111.184 -179.853 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . 0.418 ' OD2' ' HG3' ' A' ' 55' ' ' LYS . 25.1 t70 -52.9 -42.06 64.99 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.087 -0.506 . . . . 2.12 111.253 178.44 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.418 ' HG3' ' OD2' ' A' ' 54' ' ' ASP . 61.8 mttp -129.69 154.65 46.94 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.283 -0.417 . . . . 3.06 110.425 -179.475 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 2.2 m -91.79 -21.62 20.58 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.938 -0.574 . . . . 1.57 109.72 174.861 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 53.8 mttp -119.88 134.98 55.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.646 -0.706 . . . . 2.69 109.999 177.381 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 94.3 m-85 -126.72 144.99 50.77 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 116.256 -0.429 . . . . 2.56 109.864 176.169 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.549 HD12 ' O ' ' A' ' 59' ' ' LEU . 3.1 pp -99.08 112.11 24.33 Favored 'General case' 0 N--CA 1.445 -0.679 0 CA-C-O 121.465 0.65 . . . . 2.74 109.506 175.256 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 23.1 m -119.73 136.47 24.82 Favored Pre-proline 0 C--N 1.319 -0.742 0 CA-C-N 115.894 -0.594 . . . . 1.34 110.552 -176.763 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . 0.511 ' HA ' ' O ' ' A' ' 35' ' ' ASN . 91.2 Cg_endo -80.15 159.4 23.54 Favored 'Trans proline' 0 N--CA 1.46 -0.468 0 C-N-CA 122.416 2.077 . . . . 1.12 112.441 -178.829 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 68.7 mt-30 -61.84 -21.05 64.32 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.596 -0.729 . . . . 1.73 110.683 177.648 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 5.1 mp0 -81.39 -7.72 59.62 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.461 -0.79 . . . . 3.07 111.289 -176.046 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 22.7 tp -85.0 139.49 31.74 Favored 'General case' 0 N--CA 1.451 -0.412 0 CA-C-O 121.134 0.492 . . . . 2.05 110.57 -177.324 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 68.5 p -96.43 157.0 16.1 Favored 'General case' 0 C--N 1.316 -0.865 0 CA-C-N 115.653 -0.703 . . . . 1.39 110.584 177.372 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' MET . . . . . 0.454 ' HG2' ' O ' ' A' ' 96' ' ' SER . 14.7 tpt -58.01 -37.4 74.21 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.024 0.44 . . . . 1.66 110.348 176.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 16.7 m -54.26 -50.3 67.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.454 -0.793 . . . . 1.84 110.891 177.224 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . 0.42 ' O ' HG13 ' A' ' 72' ' ' ILE . 95.8 mt-30 -74.5 -30.28 61.75 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.972 -0.558 . . . . 2.62 111.402 -178.239 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . 0.403 ' O ' HG13 ' A' ' 73' ' ' ILE . 24.2 t80 -68.73 -41.55 78.86 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.226 0.536 . . . . 2.24 109.698 179.682 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 65.8 tp -60.76 -36.25 78.45 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.389 -0.823 . . . . 2.05 110.188 175.697 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 16.2 m -65.3 -46.97 78.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.076 -0.511 . . . . 1.89 110.212 174.858 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.42 HG13 ' O ' ' A' ' 68' ' ' GLN . 72.6 mt -58.54 -46.18 90.0 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.111 0 CA-C-N 116.054 -0.521 . . . . 1.17 111.259 179.127 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.403 HG13 ' O ' ' A' ' 69' ' ' PHE . 70.0 mt -55.46 -46.13 78.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.974 0.416 . . . . 1.8 110.817 178.568 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 47.5 ttt180 -66.94 -31.67 72.4 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.121 0.486 . . . . 3.63 110.804 179.123 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 28.1 t -75.09 -16.36 60.57 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.017 -0.538 . . . . 1.79 110.57 179.482 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 32.0 mmt180 -99.19 4.0 46.61 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.253 -0.431 . . . . 3.54 111.419 -178.608 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 16.4 mmt -58.27 126.02 25.74 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-N 116.183 -0.462 . . . . 1.55 110.649 175.316 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 53.1 t -64.58 -34.83 72.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-O 121.161 0.505 . . . . 2.38 110.086 175.681 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 95.4 mt -125.78 126.29 44.32 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 116.018 -0.537 . . . . 2.86 110.491 177.83 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 36.6 ttm180 -90.75 164.0 14.27 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 109.352 -0.61 . . . . 5.06 109.352 177.522 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . 65.09 77.92 0.29 Allowed 'General case' 0 C--O 1.233 0.216 0 CA-C-O 121.629 0.728 . . . . 3.52 110.689 -178.12 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 6.2 t -144.64 35.57 1.16 Allowed 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 114.781 -1.099 . . . . 4.81 109.665 -179.441 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER 61.25 -161.78 0.28 Allowed 'General case' 0 C--O 1.235 0.326 0 CA-C-N 115.161 -0.927 . . . . 3.64 110.814 -174.863 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -84.13 172.07 12.28 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 110.034 -0.358 . . . . 1.72 110.034 177.496 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . 0.422 ' HB2' ' O ' ' A' ' 120' ' ' ALA . 13.1 p90 -153.96 151.27 29.21 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 110.021 -0.363 . . . . 2.21 110.021 179.212 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 51.2 m-85 -106.79 139.38 41.31 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.069 0.461 . . . . 3.6 111.321 -178.732 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.442 HD11 ' CG ' ' A' ' 117' ' ' MET . 2.5 tm? -114.19 113.89 25.27 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.353 -0.84 . . . . 2.15 109.37 -178.689 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 6.6 mp -104.05 144.97 30.85 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.312 -0.403 . . . . 2.17 110.11 179.34 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 40.6 t -102.87 118.65 50.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-O 120.763 0.316 . . . . 2.0 110.229 -179.79 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 6.6 t-20 54.51 31.81 15.57 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-N 115.053 -0.976 . . . . 2.3 111.032 -179.779 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 55.7 m-80 54.4 23.5 4.5 Favored 'General case' 0 N--CA 1.468 0.435 0 CA-C-N 115.676 -0.693 . . . . 2.77 111.801 -179.103 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 64.2 tttp -114.62 -64.27 1.34 Allowed 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 120.8 0.333 . . . . 4.32 111.083 -177.19 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 44.7 m -129.7 149.5 51.43 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.843 0.354 . . . . 2.66 111.688 -173.429 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 1.6 pt? -135.33 33.32 3.06 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.466 0.651 . . . . 2.59 109.843 176.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 32.3 m -107.58 -16.39 8.53 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 CA-C-N 115.43 -0.805 . . . . 4.86 112.112 -174.653 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' SER . . . . . 0.454 ' O ' ' HG2' ' A' ' 66' ' ' MET . 15.1 m -76.42 87.26 3.17 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.149 0.499 . . . . 2.11 110.171 -179.209 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 23.6 ptm -92.71 -29.87 15.84 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.675 -0.693 . . . . 3.31 111.357 -177.26 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 13.2 p -102.99 7.59 39.09 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 121.214 0.53 . . . . 1.92 110.982 -176.496 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -81.64 149.92 28.32 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.869 -0.605 . . . . 1.15 110.518 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' THR . . . . . 0.452 ' O ' HG12 ' A' ' 104' ' ' ILE . 56.6 p -93.68 158.26 15.77 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 116.295 -0.411 . . . . 1.1 110.37 176.888 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' MET . . . . . 0.472 ' HE3' ' HA ' ' A' ' 101' ' ' MET . 0.0 OUTLIER -58.08 -30.35 66.15 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.873 0.368 . . . . 1.58 110.517 176.145 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -58.39 -52.02 67.39 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.99 -0.55 . . . . 1.13 110.764 176.679 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 26.1 mt-10 -67.0 -41.19 87.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.801 -0.636 . . . . 0.53 110.596 179.349 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . 0.452 HG12 ' O ' ' A' ' 100' ' ' THR . 44.2 mm -59.91 -46.77 93.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 115.506 -0.77 . . . . 1.25 111.191 -179.869 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 45.3 t80 -60.86 -46.65 89.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.841 0.353 . . . . 2.48 110.842 178.231 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 74.6 mtp180 -59.71 -26.9 65.99 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.837 -0.619 . . . . 4.9 111.973 -176.404 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -102.98 -50.78 3.42 Favored 'General case' 0 C--N 1.325 -0.481 0 C-N-CA 120.684 -0.406 . . . . 1.77 111.787 -179.044 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 73.1 m-85 -97.78 18.5 15.58 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 113.238 0.829 . . . . 2.24 113.238 -168.139 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 62.1 pttt -64.11 125.85 25.83 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 109.042 -0.725 . . . . 2.32 109.042 170.755 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . 0.41 ' OD1' ' HG2' ' A' ' 111' ' ' GLU . 4.4 t70 -82.65 -172.03 3.83 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.61 -0.268 . . . . 1.35 111.057 -173.031 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . 0.41 ' HG2' ' OD1' ' A' ' 110' ' ' ASP . 15.5 pt-20 -63.46 -33.8 76.37 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.767 0.317 . . . . 2.97 111.605 -173.723 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . 0.414 ' HB2' ' HB3' ' A' ' 22' ' ' ARG . 4.5 p30 -85.56 -10.43 55.95 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.566 -0.288 . . . . 0.77 111.112 -177.856 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 108.93 -22.66 25.21 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.906 -0.664 . . . . 0.5 113.313 173.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' PHE . . . . . 0.644 ' CE2' ' HB2' ' A' ' 38' ' ' PRO . 15.7 m-85 -78.57 156.85 28.96 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 120.908 0.385 . . . . 2.18 110.751 178.013 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 22.8 t -94.4 138.73 19.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 N-CA-C 108.469 -0.937 . . . . 1.72 108.469 174.175 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 116' ' ' TYR . . . . . . . . . . . . . 47.0 m-85 -116.01 129.58 56.43 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 121.138 0.495 . . . . 2.21 112.244 -174.019 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 117' ' ' MET . . . . . 0.442 ' CG ' HD11 ' A' ' 87' ' ' LEU . 1.3 mpt? -120.69 125.7 48.33 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-N 115.267 -0.878 . . . . 1.89 109.716 172.607 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 9.4 m -108.66 132.48 53.87 Favored 'General case' 0 C--N 1.308 -1.208 0 CA-C-N 115.243 -0.89 . . . . 1.57 108.762 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 119' ' ' TYR . . . . . 0.44 ' HB3' ' CD2' ' A' ' 87' ' ' LEU . 2.4 p90 -133.37 141.93 48.14 Favored 'General case' 0 C--N 1.32 -0.682 0 C-N-CA 119.416 -0.914 . . . . 2.0 111.907 -178.929 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . 0.431 ' C ' HD23 ' A' ' 50' ' ' LEU . . . -132.05 174.47 10.16 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 114.719 -1.128 . . . . 1.41 108.704 177.772 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 42.3 p -72.68 -147.94 0.02 OUTLIER 'General case' 0 CA--C 1.539 0.541 0 CA-C-O 121.091 0.472 . . . . 3.18 111.965 -175.238 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 53.3 tt0 -90.22 132.36 35.54 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.168 0.508 . . . . 4.9 110.613 -175.626 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -126.25 89.27 2.98 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.449 -0.796 . . . . 6.07 109.689 179.011 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 14.0 m -107.95 -59.22 1.88 Allowed 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 115.507 -0.77 . . . . 7.08 109.829 178.071 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 68.1 t80 -162.14 -52.6 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.614 -0.721 . . . . 8.93 109.585 179.626 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.05 0 CA-C-O 118.629 -1.095 . . . . 10.03 111.583 178.813 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.693 0 N-CA-C 111.987 -0.445 . . . . 29.92 111.987 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 50.8 m -136.4 64.32 1.56 Allowed 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.141 0.495 . . . . 30.07 110.412 179.109 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 73.3 mtm -76.88 131.68 72.9 Favored Pre-proline 0 C--N 1.323 -0.567 0 CA-C-N 116.009 -0.542 . . . . 27.45 110.342 -178.788 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 36.7 Cg_endo -65.44 136.94 48.89 Favored 'Trans proline' 0 C--O 1.232 0.216 0 C-N-CA 123.064 2.509 . . . . 25.18 112.654 -177.131 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 31.2 Cg_exo -60.09 123.72 13.77 Favored 'Trans proline' 0 C--O 1.234 0.322 0 C-N-CA 122.82 2.347 . . . . 23.6 112.274 177.68 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 59.6 Cg_endo -73.53 -175.15 1.91 Allowed 'Trans proline' 0 N--CA 1.464 -0.256 0 C-N-CA 122.732 2.288 . . . . 21.97 112.006 179.35 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 33.7 tt0 63.01 43.45 6.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.696 0.76 . . . . 21.07 109.401 -176.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 63.4 tttm -81.52 99.62 8.9 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.253 -0.885 . . . . 19.2 109.352 178.247 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 66.6 mt -99.96 107.84 48.77 Favored Pre-proline 0 C--N 1.321 -0.665 0 CA-C-N 116.288 -0.414 . . . . 16.54 110.386 -178.273 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 61.2 Cg_endo -74.51 107.13 2.39 Favored 'Trans proline' 0 N--CA 1.461 -0.429 0 C-N-CA 122.635 2.223 . . . . 16.01 112.457 -178.83 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 20.3 m -84.6 47.17 1.33 Allowed 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.32 0.581 . . . . 13.99 110.067 176.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.413 ' O ' ' HD3' ' A' ' 12' ' ' PRO . 39.5 t -92.27 95.56 5.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-N 115.824 -0.625 . . . . 12.46 110.169 -178.107 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 22.1 mmm180 -112.52 92.48 19.82 Favored Pre-proline 0 C--N 1.321 -0.662 0 CA-C-N 115.961 -0.563 . . . . 12.68 110.048 179.296 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.413 ' HD3' ' O ' ' A' ' 10' ' ' VAL . 8.8 Cg_exo -72.72 143.33 37.35 Favored 'Trans proline' 0 N--CA 1.462 -0.364 0 C-N-CA 122.794 2.33 . . . . 9.51 111.919 179.434 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 88.1 m-85 -126.5 143.57 51.15 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.361 -0.381 . . . . 10.27 110.401 178.805 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 24.9 pttm -140.19 43.5 1.91 Allowed 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.287 0.565 . . . . 8.86 109.745 177.179 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 25.3 mt-30 -69.44 91.88 0.58 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.509 -0.769 . . . . 6.88 110.055 -179.542 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 11.6 ptm180 -119.37 153.98 34.32 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.565 -0.743 . . . . 7.52 110.938 -173.274 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 21.2 pttm -157.53 123.14 4.62 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.801 -0.636 . . . . 4.57 110.749 178.259 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 78.9 p -94.38 -178.34 4.55 Favored 'General case' 0 C--N 1.318 -0.794 0 N-CA-C 109.303 -0.629 . . . . 1.06 109.303 171.012 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 38.4 tp -66.07 -47.49 74.12 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 121.348 0.594 . . . . 1.73 109.46 175.323 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -58.6 -46.91 85.99 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.281 -0.872 . . . . 1.6 111.652 178.006 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.427 ' O ' ' HB2' ' A' ' 24' ' ' GLU . 77.6 mt -66.5 -29.67 47.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.98 0.419 . . . . 2.15 110.889 179.318 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.495 HH12 ' HD3' ' A' ' 57' ' ' LYS . 16.4 tpt180 -69.4 -39.58 77.85 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 109.374 -0.602 . . . . 3.15 109.374 179.05 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 78.6 mt-30 -65.63 -30.42 71.13 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.597 -0.729 . . . . 2.41 109.953 172.886 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.427 ' HB2' ' O ' ' A' ' 21' ' ' ILE . 34.3 mt-10 -67.25 -44.82 78.46 Favored 'General case' 0 CA--C 1.52 -0.184 0 CA-C-O 120.637 0.256 . . . . 2.83 110.631 174.757 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 -57.31 -48.99 77.53 Favored 'General case' 0 CA--C 1.517 -0.3 0 CA-C-N 115.915 -0.584 . . . . 2.3 110.096 175.849 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -62.72 -39.16 83.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 115.842 -0.617 . . . . 1.92 111.153 179.465 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -60.61 -46.61 89.64 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.116 -0.493 . . . . 1.17 110.576 177.59 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -64.68 -42.7 97.12 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.815 -0.707 . . . . 0.65 111.854 178.003 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 96.7 mt -59.83 -48.78 86.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 115.847 -0.176 . . . . 1.26 111.08 177.537 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 97.2 mtt180 -61.94 -32.99 73.45 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.934 0.397 . . . . 3.86 111.097 179.278 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -70.81 -33.1 70.36 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.993 -0.549 . . . . 1.35 111.259 -179.33 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 14.7 mmmm -94.05 -42.28 9.1 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.612 -0.267 . . . . 3.46 111.679 -177.728 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.486 ' HB3' ' HB2' ' A' ' 36' ' ' LYS . 87.4 m-85 -127.98 77.38 76.63 Favored Pre-proline 0 C--N 1.322 -0.597 0 CA-C-N 116.621 -0.263 . . . . 2.26 111.057 -176.015 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 42.6 Cg_endo -67.93 -27.9 36.33 Favored 'Trans proline' 0 CA--C 1.529 0.226 0 C-N-CA 122.667 2.244 . . . . 0.97 113.206 -178.245 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 64.7 t30 -86.67 -8.51 57.38 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.305 0.574 . . . . 2.39 110.406 -178.28 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.486 ' HB2' ' HB3' ' A' ' 33' ' ' PHE . 13.8 mptt -101.24 159.2 15.45 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.918 -0.583 . . . . 2.46 110.764 179.777 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 92.4 mt -119.42 127.16 26.6 Favored Pre-proline 0 C--N 1.318 -0.784 0 CA-C-N 115.38 -0.827 . . . . 1.2 110.4 -178.611 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.485 ' HB2' ' CD2' ' A' ' 114' ' ' PHE . 59.0 Cg_endo -74.54 103.39 1.69 Allowed 'Trans proline' 0 N--CA 1.461 -0.436 0 C-N-CA 122.613 2.209 . . . . 0.72 112.102 177.179 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.505 HG13 ' O ' ' A' ' 58' ' ' PHE . 14.7 p -108.4 142.31 21.36 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-N 116.125 -0.489 . . . . 2.06 110.562 -179.407 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.49 ' HA ' ' O ' ' A' ' 56' ' ' THR . 53.5 t -124.06 130.09 73.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-N 116.058 -0.519 . . . . 1.13 110.17 179.811 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -97.58 126.32 50.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-O 121.208 0.528 . . . . 1.7 111.125 179.226 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.491 ' O ' ' HA ' ' A' ' 118' ' ' THR . 33.0 mt-10 -121.03 141.61 50.59 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.629 -0.714 . . . . 2.43 109.849 178.908 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.489 ' HD2' ' O ' ' A' ' 50' ' ' LEU . 19.5 ttp180 -85.84 138.89 31.73 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 109.889 -0.412 . . . . 3.01 109.889 -178.343 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . 0.474 ' CB ' ' HB3' ' A' ' 120' ' ' ALA . 7.6 t80 -64.71 127.78 92.87 Favored Pre-proline 0 C--N 1.324 -0.511 0 CA-C-N 115.948 -0.569 . . . . 2.55 109.669 178.495 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 19.7 Cg_endo -58.48 -26.0 76.3 Favored 'Trans proline' 0 C--N 1.344 0.319 0 C-N-CA 123.238 2.625 . . . . 1.68 113.359 -173.735 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 5.0 mpt_? -84.01 -19.54 34.32 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.789 0.328 . . . . 4.72 110.684 179.571 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -88.51 139.27 30.65 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.21 -0.45 . . . . 2.56 111.141 -174.508 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 10.1 p -125.99 -14.52 6.07 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.973 -0.558 . . . . 4.11 111.584 178.127 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 83.3 t80 -90.67 -41.82 11.08 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.567 -0.288 . . . . 6.11 111.271 -175.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.489 ' O ' ' HD2' ' A' ' 43' ' ' ARG . 0.6 OUTLIER -70.67 115.13 32.4 Favored Pre-proline 0 C--N 1.328 -0.368 0 N-CA-C 109.492 -0.559 . . . . 2.09 109.492 -178.447 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . 0.45 ' HG3' ' O ' ' A' ' 79' ' ' LEU . 84.7 Cg_endo -76.93 158.17 34.62 Favored 'Trans proline' 0 C--O 1.234 0.298 0 C-N-CA 123.093 2.528 . . . . 2.13 113.583 -174.119 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 46.3 Cg_endo -69.8 157.96 58.53 Favored 'Trans proline' 0 N--CA 1.461 -0.415 0 C-N-CA 122.55 2.167 . . . . 1.36 110.597 168.782 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 5.6 mp -91.06 160.77 15.42 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 116.664 -0.244 . . . . 1.77 111.456 -177.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -56.59 -36.32 69.25 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.372 0.606 . . . . 2.12 110.462 179.659 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 65.3 mttm -117.4 128.84 55.41 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.805 -0.634 . . . . 3.06 110.025 174.357 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' THR . . . . . 0.49 ' O ' ' HA ' ' A' ' 40' ' ' VAL . 3.1 m -87.13 -28.81 22.26 Favored 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 109.03 -0.73 . . . . 1.57 109.03 176.91 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.495 ' HD3' HH12 ' A' ' 22' ' ' ARG . 46.2 mtmt -120.16 111.48 17.89 Favored 'General case' 0 N--CA 1.451 -0.402 0 CA-C-N 115.119 -0.946 . . . . 2.69 109.017 175.678 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 0.505 ' O ' HG13 ' A' ' 39' ' ' VAL . 4.9 p90 -135.59 146.18 47.69 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-O 121.091 0.472 . . . . 2.56 111.16 -179.598 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -94.55 124.68 38.73 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.789 -0.642 . . . . 2.74 110.743 -175.634 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 15.0 m -122.89 132.18 24.3 Favored Pre-proline 0 C--N 1.322 -0.599 0 CA-C-N 116.033 -0.531 . . . . 1.34 110.307 176.697 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_exo -58.67 146.18 92.89 Favored 'Trans proline' 0 C--N 1.343 0.245 0 C-N-CA 122.618 2.212 . . . . 1.12 112.096 178.853 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 12.0 pt20 -68.1 -11.96 60.01 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.226 -0.443 . . . . 1.73 110.95 -179.435 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 13.9 tp10 -78.91 -6.73 56.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.741 -0.663 . . . . 3.07 110.158 178.526 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 18.7 tp -82.44 142.2 32.12 Favored 'General case' 0 N--CA 1.443 -0.779 0 CA-C-N 115.713 -0.676 . . . . 2.05 110.313 -177.675 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' THR . . . . . 0.4 ' HA ' ' HA ' ' A' ' 100' ' ' THR . 68.5 p -96.54 162.63 13.38 Favored 'General case' 0 C--N 1.313 -1.012 0 CA-C-N 115.726 -0.67 . . . . 1.39 110.154 175.703 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' MET . . . . . 0.411 ' SD ' ' HE3' ' A' ' 101' ' ' MET . 73.7 mmm -60.3 -32.15 70.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.803 0.335 . . . . 1.66 110.794 176.336 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 86.1 m -63.75 -50.63 68.33 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.029 0.443 . . . . 1.84 111.214 179.644 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 51.7 mt-30 -68.4 -28.26 66.94 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.157 0.504 . . . . 2.62 110.023 179.712 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . 0.438 ' CZ ' HD13 ' A' ' 73' ' ' ILE . 75.3 t80 -69.3 -40.7 77.54 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.416 -0.811 . . . . 2.24 109.99 177.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 49.1 tp -53.69 -42.78 68.33 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.204 -0.907 . . . . 2.05 110.275 175.326 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 12.2 t -65.59 -37.59 87.06 Favored 'General case' 0 C--O 1.235 0.325 0 CA-C-N 115.788 -0.642 . . . . 1.89 110.55 178.024 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 54.0 mt -65.6 -41.87 91.63 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-N 116.379 -0.373 . . . . 1.17 110.742 179.133 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.54 ' O ' ' HG3' ' A' ' 77' ' ' MET . 49.1 mm -56.28 -49.7 75.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.991 0.425 . . . . 1.8 110.242 178.286 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 62.3 ttt180 -63.23 -31.01 72.05 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.682 -0.69 . . . . 3.63 111.109 179.707 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 29.8 t -77.43 -30.05 53.23 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.17 -0.468 . . . . 1.79 111.169 -177.421 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 7.8 tpp180 -95.55 2.32 54.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.92 0.39 . . . . 3.54 110.932 -176.244 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' MET . . . . . 0.54 ' HG3' ' O ' ' A' ' 73' ' ' ILE . 51.5 mtt -64.59 132.21 49.18 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.217 0.532 . . . . 1.55 111.131 179.122 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 87.8 t -67.52 -47.17 81.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 115.34 -0.845 . . . . 2.38 110.375 177.625 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.45 ' O ' ' HG3' ' A' ' 51' ' ' PRO . 3.0 tm? -111.08 125.09 53.39 Favored 'General case' 0 C--N 1.314 -0.941 0 N-CA-C 108.534 -0.914 . . . . 2.86 108.534 176.538 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 82.3 mtm180 -83.67 120.19 25.69 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 120.962 0.411 . . . . 5.06 111.018 -176.482 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -100.93 -27.06 13.51 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.436 0.636 . . . . 3.52 110.071 176.218 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 72.0 p 53.82 18.33 1.55 Allowed 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 114.102 -1.408 . . . . 4.81 113.695 176.229 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -118.96 -169.26 1.7 Allowed 'General case' 0 C--N 1.323 -0.556 0 O-C-N 122.339 -0.226 . . . . 3.64 110.622 179.357 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -74.21 137.78 43.29 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.221 0.534 . . . . 1.72 111.807 -176.412 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 28.3 p90 -146.44 144.24 29.55 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.33 -0.85 . . . . 2.21 109.289 175.012 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . 0.619 ' CZ ' ' HB2' ' A' ' 120' ' ' ALA . 36.8 p90 -103.07 139.69 38.28 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 121.239 0.543 . . . . 3.6 111.093 -177.548 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.405 ' H ' HG11 ' A' ' 95' ' ' VAL . 59.7 tp -119.82 115.64 24.26 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.181 -0.918 . . . . 2.15 110.554 -175.333 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 5.6 mp -94.5 141.85 28.11 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 109.723 -0.473 . . . . 2.17 109.723 176.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.439 HG12 HG21 ' A' ' 104' ' ' ILE . 60.8 t -102.5 110.63 29.71 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.802 0 N-CA-C 109.581 -0.525 . . . . 2.0 109.581 178.36 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 9.2 t-20 51.58 31.86 8.25 Favored 'General case' 0 N--CA 1.465 0.297 0 O-C-N 124.145 0.903 . . . . 2.3 110.52 -176.795 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 44.6 m-80 57.64 22.25 8.09 Favored 'General case' 0 N--CA 1.467 0.401 0 CA-C-N 115.148 -0.933 . . . . 2.77 111.904 -178.48 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 44.0 mmtm -109.73 -67.48 0.98 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.0 0.429 . . . . 4.32 110.35 178.453 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 32.9 t -88.0 149.94 23.72 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.872 -0.604 . . . . 2.66 110.468 -176.808 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.448 ' HG ' HG21 ' A' ' 95' ' ' VAL . 63.8 tp -120.36 109.4 15.31 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.321 -0.399 . . . . 2.59 110.513 -179.241 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.448 HG21 ' HG ' ' A' ' 94' ' ' LEU . 16.1 m 35.13 57.85 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.834 0 N-CA-C 114.061 1.134 . . . . 4.86 114.061 178.94 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 24.4 t -76.11 89.07 3.03 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 108.795 -0.817 . . . . 2.11 108.795 172.38 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 89.4 mtp -72.03 -19.1 61.9 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.782 -0.645 . . . . 3.31 111.896 -172.022 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 22.4 t -87.72 -8.46 56.03 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 120.97 0.414 . . . . 1.92 110.415 -178.828 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -85.58 141.05 30.11 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.128 -0.487 . . . . 1.15 110.976 179.716 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' THR . . . . . 0.459 ' OG1' ' HG3' ' A' ' 103' ' ' GLU . 73.4 p -86.09 153.97 21.72 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 109.47 -0.567 . . . . 1.1 109.47 175.236 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' MET . . . . . 0.411 ' HE3' ' SD ' ' A' ' 66' ' ' MET . 29.1 tpp -62.82 -26.25 68.65 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.014 0.435 . . . . 1.58 110.167 -179.237 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -62.76 -50.96 69.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.738 -0.665 . . . . 1.13 110.801 176.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . 0.459 ' HG3' ' OG1' ' A' ' 100' ' ' THR . 31.7 mt-10 -59.9 -42.64 94.28 Favored 'General case' 0 CA--C 1.518 -0.271 0 CA-C-O 121.264 0.554 . . . . 0.53 110.08 176.937 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . 0.439 HG21 HG12 ' A' ' 89' ' ' VAL . 29.7 mm -57.38 -48.36 82.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-N 114.849 -1.068 . . . . 1.25 111.131 179.479 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' TYR . . . . . 0.44 ' O ' ' HB3' ' A' ' 109' ' ' LYS . 7.8 t80 -64.23 -48.71 74.77 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.316 -0.402 . . . . 2.48 110.715 -179.403 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 65.4 mtp180 -56.01 -36.39 67.89 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.707 -0.679 . . . . 4.9 112.093 -176.414 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -95.4 -50.91 4.8 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.913 0.387 . . . . 1.77 111.703 -175.186 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 76.3 m-85 -97.44 16.11 21.16 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 112.786 0.661 . . . . 2.24 112.786 -168.427 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . 0.44 ' HB3' ' O ' ' A' ' 105' ' ' TYR . 24.2 pttm -61.01 138.37 58.19 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.866 0.365 . . . . 2.32 110.149 173.586 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -85.39 -176.61 6.19 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 109.347 -0.612 . . . . 1.35 109.347 178.374 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -66.15 -33.46 75.82 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.178 0.513 . . . . 2.97 110.47 -178.909 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 16.1 p30 -76.69 -12.39 59.99 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.682 -0.69 . . . . 0.77 111.187 -178.764 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 94.45 5.85 61.53 Favored Glycine 0 N--CA 1.448 -0.553 0 C-N-CA 120.92 -0.657 . . . . 0.5 113.047 176.715 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' PHE . . . . . 0.485 ' CD2' ' HB2' ' A' ' 38' ' ' PRO . 60.0 m-85 -97.12 160.37 14.38 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.935 0.398 . . . . 2.18 110.805 177.856 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 56.2 t -106.49 109.06 26.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 N-CA-C 109.222 -0.659 . . . . 1.72 109.222 172.471 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 116' ' ' TYR . . . . . 0.408 ' CE1' ' HB2' ' A' ' 114' ' ' PHE . 89.4 m-85 -95.4 126.55 40.78 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 116.336 -0.393 . . . . 2.21 110.307 -179.068 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 117' ' ' MET . . . . . . . . . . . . . 63.9 mtt -123.01 127.58 49.0 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 116.145 -0.48 . . . . 1.89 110.505 179.506 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 118' ' ' THR . . . . . 0.491 ' HA ' ' O ' ' A' ' 42' ' ' GLU . 35.8 m -102.37 132.79 48.14 Favored 'General case' 0 C--N 1.317 -0.841 0 CA-C-N 115.729 -0.669 . . . . 1.57 109.434 179.734 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 119' ' ' TYR . . . . . 0.508 ' O ' ' HD1' ' A' ' 119' ' ' TYR . 0.0 OUTLIER -131.36 158.35 40.95 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 112.509 0.559 . . . . 2.0 112.509 -177.057 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . 0.619 ' HB2' ' CZ ' ' A' ' 86' ' ' TYR . . . -152.87 168.81 24.55 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.415 -0.811 . . . . 1.41 109.304 173.106 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 19.8 t -83.73 -62.57 1.54 Allowed 'General case' 0 C--N 1.32 -0.683 0 N-CA-C 109.604 -0.517 . . . . 3.18 109.604 -179.388 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 13.6 mm100 -150.59 -175.88 5.28 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.408 -0.814 . . . . 4.9 109.588 -178.616 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 71.2 mm-40 -69.92 -61.31 1.83 Allowed 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 109.789 -0.448 . . . . 6.07 109.789 174.684 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 8.1 m 56.84 65.05 1.49 Allowed 'General case' 0 C--O 1.236 0.373 0 CA-C-N 115.513 -0.767 . . . . 7.08 110.169 -177.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 74.6 m-85 69.72 177.3 0.27 Allowed 'General case' 0 C--O 1.234 0.25 0 CA-C-N 114.82 -1.082 . . . . 8.93 111.186 -179.629 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.951 0 CA-C-O 118.298 -1.279 . . . . 10.03 111.297 178.277 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.757 0 N-CA-C 111.858 -0.497 . . . . 29.54 111.858 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 29.3 t -93.41 92.05 7.46 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 121.013 0.435 . . . . 29.85 110.331 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 71.7 mtm -97.17 115.01 65.62 Favored Pre-proline 0 C--N 1.327 -0.396 0 CA-C-N 116.169 -0.468 . . . . 27.04 110.039 175.33 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 58.1 Cg_endo -72.03 137.4 29.05 Favored 'Trans proline' 0 CA--C 1.529 0.258 0 C-N-CA 122.776 2.318 . . . . 24.48 112.375 -178.39 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 57.8 Cg_endo -72.18 121.04 7.18 Favored 'Trans proline' 0 N--CA 1.464 -0.262 0 C-N-CA 122.483 2.122 . . . . 22.87 111.881 178.95 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 24.1 Cg_exo -62.66 137.52 64.37 Favored 'Trans proline' 0 N--CA 1.462 -0.358 0 C-N-CA 122.345 2.03 . . . . 21.43 111.613 177.676 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 85.3 mm-40 -92.13 139.56 30.51 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 116.33 -0.395 . . . . 20.6 110.427 -179.231 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.418 ' O ' ' HD3' ' A' ' 8' ' ' PRO . 65.8 mttm 61.68 82.28 0.17 Allowed 'General case' 0 C--N 1.33 -0.245 0 O-C-N 123.952 0.783 . . . . 18.97 110.923 -179.854 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 32.1 mt -113.36 83.59 6.82 Favored Pre-proline 0 C--N 1.327 -0.381 0 CA-C-N 116.201 -0.454 . . . . 16.36 110.473 179.245 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.418 ' HD3' ' O ' ' A' ' 6' ' ' LYS . 96.5 Cg_endo -90.67 -159.94 0.09 OUTLIER 'Trans proline' 0 N--CA 1.448 -1.151 0 C-N-CA 122.648 2.232 . . . . 15.48 111.563 178.075 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 18.8 m -68.89 170.95 8.72 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.599 -0.273 . . . . 13.76 110.342 175.868 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 97.7 t -59.3 -54.6 32.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-O 121.165 0.507 . . . . 11.94 110.329 179.559 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 26.4 ptt180 -138.23 79.55 31.01 Favored Pre-proline 0 C--N 1.321 -0.644 0 CA-C-N 115.613 -0.721 . . . . 12.04 110.058 177.315 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 17.3 Cg_exo -64.82 -37.06 36.98 Favored 'Trans proline' 0 C--N 1.347 0.461 0 C-N-CA 122.723 2.282 . . . . 8.79 111.222 -178.776 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 52.5 m-85 -119.41 141.44 49.09 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.025 -0.989 . . . . 9.33 108.984 177.046 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 54.2 tttm -79.41 67.22 5.09 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 108.782 -0.822 . . . . 8.26 108.782 174.312 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.415 ' HG2' ' HG3' ' A' ' 17' ' ' LYS . 29.8 tt0 -137.73 -77.11 0.39 Allowed 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.433 -0.803 . . . . 6.53 109.992 -176.004 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 1.9 tmm_? 46.98 77.99 0.08 Allowed 'General case' 0 N--CA 1.464 0.259 0 O-C-N 124.069 0.856 . . . . 6.69 110.77 178.512 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.511 ' HE3' ' HG2' ' A' ' 22' ' ' ARG . 27.8 mtpp -102.92 121.03 41.68 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 116.394 -0.366 . . . . 3.96 110.376 -179.344 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.651 ' O ' ' HG3' ' A' ' 22' ' ' ARG . 81.0 p -87.85 166.81 14.3 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 109.044 -0.725 . . . . 0.97 109.044 176.646 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 49.6 tp -53.58 -48.59 69.04 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.416 0.627 . . . . 1.11 109.821 -179.042 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -59.28 -52.52 65.29 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 114.688 -1.142 . . . . 0.94 112.114 177.109 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 29.7 mm -59.89 -33.25 52.0 Favored 'Isoleucine or valine' 0 C--O 1.234 0.246 0 CA-C-O 120.955 0.407 . . . . 1.64 111.12 -179.437 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.651 ' HG3' ' O ' ' A' ' 18' ' ' SER . 87.6 mtt180 -65.78 -43.24 89.38 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 109.279 -0.637 . . . . 2.59 109.279 179.818 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 78.7 mt-30 -63.86 -32.21 73.65 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.404 -0.816 . . . . 2.16 110.645 176.566 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 52.4 mt-10 -74.06 -52.05 13.86 Favored 'General case' 0 CA--C 1.516 -0.341 0 CA-C-O 120.699 0.285 . . . . 2.83 111.311 -177.797 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.43 ' O ' HG13 ' A' ' 29' ' ' ILE . 41.3 tt0 -59.8 -45.07 93.46 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.144 -0.48 . . . . 2.3 110.188 178.32 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -62.92 -37.43 79.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.816 0.341 . . . . 1.21 110.417 178.937 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -61.55 -46.4 90.09 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.917 -0.583 . . . . 0.59 110.615 176.082 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -63.2 -47.27 89.53 Favored Glycine 0 N--CA 1.45 -0.415 0 C-N-CA 120.737 -0.744 . . . . 0.65 112.063 176.432 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.43 HG13 ' O ' ' A' ' 25' ' ' GLU . 96.7 mt -59.03 -47.4 90.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 C-N-CA 122.244 0.218 . . . . 0.58 111.369 -179.888 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.405 HH11 ' HD2' ' A' ' 30' ' ' ARG . 22.0 mtp180 -60.13 -39.21 85.48 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.727 0.299 . . . . 3.31 111.565 -179.026 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -77.9 -40.76 38.79 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 120.829 0.347 . . . . 0.91 111.447 -177.901 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 86.3 tttt -79.21 -35.43 41.71 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.11 -0.496 . . . . 3.0 111.299 -175.511 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.427 ' HB3' ' HB2' ' A' ' 36' ' ' LYS . 60.5 m-85 -130.55 81.14 68.6 Favored Pre-proline 0 C--N 1.325 -0.48 0 CA-C-N 116.577 -0.283 . . . . 1.49 110.547 -179.585 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 28.1 Cg_endo -62.91 -24.86 74.2 Favored 'Trans proline' 0 C--N 1.344 0.315 0 C-N-CA 122.613 2.208 . . . . 0.74 112.783 -179.672 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 15.8 m120 -89.98 -10.25 45.71 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.146 -0.479 . . . . 2.16 111.513 -177.315 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.427 ' HB2' ' HB3' ' A' ' 33' ' ' PHE . 5.0 mptp? -107.46 150.37 26.87 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.04 0.448 . . . . 2.03 111.221 -177.746 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.43 HD13 ' HB2' ' A' ' 105' ' ' TYR . 90.9 mt -130.38 126.43 22.12 Favored Pre-proline 0 C--N 1.322 -0.616 0 CA-C-N 115.698 -0.683 . . . . 0.58 110.115 179.384 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 87.2 Cg_endo -81.49 113.47 2.6 Favored 'Trans proline' 0 C--O 1.238 0.505 0 C-N-CA 122.758 2.305 . . . . 0.53 112.918 179.855 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.431 HG12 ' HB ' ' A' ' 115' ' ' VAL . 19.0 m -110.26 148.41 13.81 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 CA-C-N 115.806 -0.633 . . . . 1.39 110.047 176.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 43.9 t -118.47 112.99 40.45 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 N-CA-C 109.577 -0.527 . . . . 0.4 109.577 178.789 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 48.3 t -102.26 117.44 47.61 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 CA-C-O 120.99 0.424 . . . . 1.03 110.605 -177.178 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -111.62 150.79 29.6 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.802 -0.635 . . . . 2.43 109.965 179.826 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 3.2 ptm180 -79.02 144.44 34.67 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 109.792 -0.447 . . . . 2.32 109.792 179.678 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' TYR . . . . . 0.44 ' HA ' ' HD3' ' A' ' 45' ' ' PRO . 9.0 t80 -64.99 124.09 85.69 Favored Pre-proline 0 C--N 1.322 -0.621 0 CA-C-N 115.637 -0.71 . . . . 1.74 109.826 -179.484 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' PRO . . . . . 0.44 ' HD3' ' HA ' ' A' ' 44' ' ' TYR . 34.2 Cg_exo -59.23 -24.52 74.44 Favored 'Trans proline' 0 C--N 1.348 0.506 0 C-N-CA 123.121 2.547 . . . . 1.48 113.381 -176.21 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.432 ' O ' ' HZ ' ' A' ' 125' ' ' PHE . 0.8 OUTLIER -92.75 -13.08 29.76 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 120.739 0.304 . . . . 4.16 110.673 179.167 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.432 ' HB2' ' HB3' ' A' ' 44' ' ' TYR . 8.2 tp10 -77.68 137.19 38.38 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.17 0.51 . . . . 2.56 110.441 -178.882 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 12.0 m -128.92 -15.81 4.24 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.744 -0.662 . . . . 3.54 111.143 -179.62 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 97.0 m-85 -74.43 -50.48 18.25 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-O 120.982 0.42 . . . . 5.19 110.503 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 87.4 mt -90.85 113.62 58.6 Favored Pre-proline 0 C--N 1.327 -0.39 0 CA-C-N 115.76 -0.655 . . . . 1.51 110.986 -177.09 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -76.91 163.55 30.98 Favored 'Trans proline' 0 C--O 1.234 0.322 0 C-N-CA 123.202 2.601 . . . . 1.69 112.233 178.762 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 56.3 Cg_exo -49.74 137.16 34.63 Favored 'Trans proline' 0 C--N 1.349 0.578 0 C-N-CA 123.279 2.653 . . . . 1.17 112.4 178.387 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 76.4 mt -74.66 174.18 9.44 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.177 -0.465 . . . . 1.22 111.595 -177.169 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -65.26 -46.48 80.34 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.208 0.528 . . . . 2.12 110.076 177.029 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 34.6 mmtp -117.29 147.25 42.73 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.524 -0.762 . . . . 2.59 109.883 -179.56 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 27.7 m -102.38 -31.5 10.46 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 121.193 0.521 . . . . 1.14 110.427 177.727 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 35.2 mtmm -110.92 131.81 54.73 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.212 -0.449 . . . . 2.14 110.319 -179.609 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 95.0 m-85 -125.94 121.31 32.75 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 116.264 -0.425 . . . . 1.64 110.535 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 7.5 mp -95.82 103.04 14.9 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 108.707 -0.849 . . . . 2.22 108.707 172.13 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 16.2 m -117.62 156.3 49.6 Favored Pre-proline 0 C--N 1.32 -0.705 0 CA-C-N 115.856 -0.611 . . . . 0.59 111.083 -173.148 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 27.7 Cg_endo -62.86 146.1 94.86 Favored 'Trans proline' 0 N--CA 1.465 -0.193 0 C-N-CA 122.75 2.3 . . . . 0.71 111.861 176.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' GLN . . . . . 0.477 ' HB2' ' HB2' ' A' ' 102' ' ' ALA . 15.4 pt20 -73.21 -14.47 61.35 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.29 -0.414 . . . . 1.34 110.975 -177.283 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -82.78 -7.93 59.62 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.264 -0.425 . . . . 3.07 110.367 178.255 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.43 HD22 ' HA ' ' A' ' 64' ' ' LEU . 0.2 OUTLIER -72.18 142.69 49.05 Favored 'General case' 0 N--CA 1.448 -0.557 0 CA-C-N 115.876 -0.602 . . . . 1.44 109.465 -178.127 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 27.9 p -100.38 159.2 15.33 Favored 'General case' 0 C--N 1.316 -0.886 0 CA-C-N 115.72 -0.673 . . . . 0.68 111.861 -178.61 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 79.8 mmm -55.45 -41.19 72.53 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.214 -0.448 . . . . 1.39 110.935 176.358 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 7.7 t -67.04 -41.68 86.12 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.372 -0.376 . . . . 1.33 111.503 -177.305 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 77.6 mm-40 -74.51 -29.31 61.36 Favored 'General case' 0 C--N 1.33 -0.241 0 C-N-CA 120.587 -0.445 . . . . 2.03 111.058 179.053 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' PHE . . . . . 0.474 ' CE2' HD11 ' A' ' 73' ' ' ILE . 43.3 t80 -70.01 -38.07 75.85 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 109.286 -0.635 . . . . 1.33 109.286 177.017 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 17.7 tp -54.55 -44.7 73.12 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 114.979 -1.01 . . . . 1.43 110.248 174.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 10.2 m -60.38 -41.17 93.25 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.404 -0.817 . . . . 1.5 110.784 177.654 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 74.4 mt -63.38 -44.76 99.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.379 -0.373 . . . . 0.46 110.476 178.694 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.474 HD11 ' CE2' ' A' ' 69' ' ' PHE . 73.1 mt -59.65 -45.25 94.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.099 -0.5 . . . . 1.08 111.006 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 40.9 ttm180 -63.41 -31.0 72.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.36 -0.382 . . . . 3.12 110.626 178.618 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 19.8 m -77.48 -28.07 52.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.101 -0.499 . . . . 1.33 110.53 179.868 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' ARG . . . . . 0.604 ' HA ' ' NE ' ' A' ' 76' ' ' ARG . 2.3 tpm_? -89.87 3.0 54.32 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.099 -0.5 . . . . 3.11 110.759 -177.023 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 62.0 mtt -66.91 135.03 53.21 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.011 -0.541 . . . . 1.28 110.333 176.006 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 35.2 m -77.64 -15.14 14.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-O 121.092 0.472 . . . . 1.66 110.329 176.407 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 37.8 tp -105.67 137.17 43.98 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.754 -0.657 . . . . 2.29 109.311 175.202 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 21.7 ttt180 -78.64 119.56 22.07 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 109.791 -0.448 . . . . 4.54 109.791 178.188 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -159.12 132.05 7.0 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.169 -0.469 . . . . 2.91 110.769 -178.787 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 14.5 t -103.97 14.66 30.25 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 121.765 0.793 . . . . 4.3 109.123 175.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 38.5 mm-40 -66.16 157.3 31.64 Favored 'General case' 0 C--O 1.237 0.415 0 CA-C-N 114.956 -1.02 . . . . 3.64 111.825 -177.687 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -80.41 139.6 36.41 Favored 'General case' 0 N--CA 1.446 -0.637 0 CA-C-N 115.17 -0.923 . . . . 1.27 109.538 176.918 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' PHE . . . . . 0.582 ' HA ' ' O ' ' A' ' 121' ' ' SER . 5.0 p90 -152.53 150.47 29.61 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 116.318 -0.401 . . . . 1.38 110.263 -179.037 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 98.1 m-85 -101.37 133.84 45.36 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 115.99 -0.55 . . . . 3.3 110.984 -175.378 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.53 HD11 ' SD ' ' A' ' 117' ' ' MET . 3.3 tm? -103.14 111.18 23.43 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 108.471 -0.937 . . . . 1.56 108.471 172.488 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 58.4 mt -100.99 136.39 40.91 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.961 -0.563 . . . . 1.54 109.891 -177.893 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.466 ' HB ' ' HB3' ' A' ' 93' ' ' SER . 18.9 t -102.15 129.48 53.47 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 N-CA-C 109.739 -0.467 . . . . 1.31 109.739 179.405 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 6.7 t-20 58.52 29.67 18.69 Favored 'General case' 0 CA--C 1.531 0.215 0 CA-C-N 115.712 -0.676 . . . . 2.22 109.712 -175.924 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 43.9 m-80 59.0 21.44 9.3 Favored 'General case' 0 N--CA 1.467 0.417 0 CA-C-N 115.072 -0.967 . . . . 2.53 112.199 179.41 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 34.3 mmtp -136.81 -54.69 0.72 Allowed 'General case' 0 N--CA 1.464 0.227 0 N-CA-C 112.145 0.424 . . . . 3.95 112.145 -176.498 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' SER . . . . . 0.466 ' HB3' ' HB ' ' A' ' 89' ' ' VAL . 13.0 t -63.49 143.5 57.77 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.347 -0.388 . . . . 2.32 111.193 -173.956 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 96.0 mt -89.26 177.95 6.47 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.958 -0.565 . . . . 2.04 110.449 -179.418 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 9.8 t -81.42 75.37 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 116.174 -0.467 . . . . 4.29 111.115 -174.854 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 11.1 m -70.56 99.57 1.66 Allowed 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.126 -0.488 . . . . 1.9 109.705 175.821 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 89.5 mtp -60.54 -28.29 68.31 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.06 -0.518 . . . . 2.85 111.934 -172.808 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 18.9 m -89.96 -4.38 57.51 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.342 -0.39 . . . . 1.6 111.323 -175.626 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -84.73 133.26 34.37 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.995 0.426 . . . . 0.51 110.883 -178.591 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 100' ' ' THR . . . . . 0.524 ' O ' HG12 ' A' ' 104' ' ' ILE . 44.0 p -93.98 158.49 15.61 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.809 -0.632 . . . . 0.47 110.91 178.951 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -57.21 -32.03 66.08 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.467 -0.333 . . . . 1.18 110.66 175.208 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 102' ' ' ALA . . . . . 0.477 ' HB2' ' HB2' ' A' ' 62' ' ' GLN . . . -56.89 -52.16 66.24 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.223 -0.444 . . . . 0.39 110.876 177.491 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 25.1 mt-10 -64.28 -46.27 84.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.778 -0.646 . . . . 0.53 110.677 178.384 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 104' ' ' ILE . . . . . 0.524 HG12 ' O ' ' A' ' 100' ' ' THR . 47.4 mm -57.34 -42.59 80.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 115.365 -0.834 . . . . 0.45 111.401 -178.259 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 105' ' ' TYR . . . . . 0.435 ' O ' ' HB2' ' A' ' 109' ' ' LYS . 20.8 t80 -63.16 -48.36 78.75 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.891 0.377 . . . . 1.56 111.092 -179.721 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 74.6 mtp180 -65.67 -25.32 67.29 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.163 -0.471 . . . . 4.23 111.502 -177.631 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 107' ' ' ASP . . . . . 0.424 ' HB3' ' CD2' ' A' ' 108' ' ' TYR . 7.2 t70 -92.67 -43.78 8.91 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.935 0.397 . . . . 1.77 111.634 -176.046 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 108' ' ' TYR . . . . . 0.424 ' CD2' ' HB3' ' A' ' 107' ' ' ASP . 49.2 m-85 -113.59 21.79 14.73 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 112.656 0.613 . . . . 1.36 112.656 -171.305 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 109' ' ' LYS . . . . . 0.435 ' HB2' ' O ' ' A' ' 105' ' ' TYR . 37.9 ttpt -57.79 126.39 27.19 Favored 'General case' 0 C--O 1.235 0.325 0 N-CA-C 110.189 -0.3 . . . . 1.82 110.189 174.527 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -84.27 -176.04 6.07 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.473 -0.331 . . . . 1.35 110.4 -178.208 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 -69.94 -23.39 63.19 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.154 0.502 . . . . 2.97 110.972 -176.708 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 112' ' ' ASP . . . . . 0.477 ' HB2' ' HB3' ' A' ' 22' ' ' ARG . 4.4 p30 -92.02 -11.85 34.84 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 116.105 -0.498 . . . . 0.77 111.194 -179.087 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 113' ' ' GLY . . . . . 0.406 ' O ' ' HE1' ' A' ' 105' ' ' TYR . . . 102.28 -5.47 52.42 Favored Glycine 0 N--CA 1.448 -0.558 0 C-N-CA 120.809 -0.71 . . . . 0.47 113.243 176.387 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 73.3 m-85 -93.79 162.06 14.08 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.01 0.433 . . . . 1.35 110.982 -179.618 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 115' ' ' VAL . . . . . 0.431 ' HB ' HG12 ' A' ' 39' ' ' VAL . 47.6 t -105.99 114.27 44.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 115.828 -0.624 . . . . 1.06 109.553 174.683 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 116' ' ' TYR . . . . . . . . . . . . . 75.3 m-85 -96.54 128.3 43.34 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 121.381 0.61 . . . . 1.31 111.118 -176.471 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 117' ' ' MET . . . . . 0.53 ' SD ' HD11 ' A' ' 87' ' ' LEU . 61.8 mtt -126.14 148.74 49.33 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.242 -0.89 . . . . 1.19 110.245 -177.177 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 17.3 m -128.22 133.51 48.86 Favored 'General case' 0 C--N 1.315 -0.911 0 N-CA-C 109.459 -0.571 . . . . 0.92 109.459 -178.895 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 16.2 p90 -120.42 142.24 49.4 Favored 'General case' 0 C--N 1.323 -0.577 0 C-N-CA 120.604 -0.439 . . . . 1.2 111.347 -177.064 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 120' ' ' ALA . . . . . 0.428 ' HB2' ' HB2' ' A' ' 44' ' ' TYR . . . -152.93 151.02 29.87 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.552 -0.749 . . . . 0.86 109.436 176.075 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 121' ' ' SER . . . . . 0.582 ' O ' ' HA ' ' A' ' 85' ' ' PHE . 22.7 t -60.68 -57.14 13.96 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.022 0.439 . . . . 2.69 109.824 -177.677 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 46.3 mt-30 -139.07 130.25 26.73 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 116.034 -0.53 . . . . 4.22 109.751 178.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -71.87 126.76 30.55 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 109.428 -0.582 . . . . 6.07 109.428 178.19 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 6.8 m 72.13 -0.64 3.17 Favored 'General case' 0 CA--C 1.536 0.428 0 CA-C-N 115.828 -0.624 . . . . 6.51 110.424 -176.236 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 125' ' ' PHE . . . . . 0.432 ' HZ ' ' O ' ' A' ' 46' ' ' ARG . 90.8 m-85 66.6 -66.65 0.17 Allowed 'General case' 0 N--CA 1.468 0.464 0 C-N-CA 123.858 0.863 . . . . 8.27 112.06 178.675 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.041 0 CA-C-O 118.639 -1.09 . . . . 10.03 111.809 -178.593 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.669 0 N-CA-C 111.686 -0.566 . . . . 29.54 111.686 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 47.6 t -72.56 -58.04 3.68 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.813 0.339 . . . . 29.85 110.444 -179.36 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 50.9 ttm -83.93 118.15 70.56 Favored Pre-proline 0 C--N 1.325 -0.487 0 CA-C-N 116.405 -0.361 . . . . 27.04 110.53 -178.921 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 31.2 Cg_exo -59.0 135.34 65.91 Favored 'Trans proline' 0 C--N 1.343 0.267 0 C-N-CA 122.937 2.425 . . . . 24.48 111.999 178.547 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 17.8 Cg_endo -59.0 121.68 10.35 Favored 'Trans proline' 0 C--O 1.235 0.336 0 C-N-CA 122.85 2.367 . . . . 22.87 112.121 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 48.8 Cg_exo -57.03 -35.52 98.96 Favored 'Trans proline' 0 C--N 1.346 0.441 0 C-N-CA 123.492 2.795 . . . . 21.43 112.618 -179.763 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 24.5 tt0 -102.32 94.88 5.94 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.396 -0.366 . . . . 20.6 110.083 176.477 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 27.4 tptp -141.94 90.26 2.25 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.093 0.473 . . . . 18.97 109.953 178.229 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 8.0 tt -117.33 131.67 23.92 Favored Pre-proline 0 C--N 1.32 -0.704 0 CA-C-N 115.843 -0.617 . . . . 16.36 110.361 -177.501 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 19.0 Cg_endo -59.66 96.69 0.1 OUTLIER 'Trans proline' 0 C--O 1.237 0.432 0 C-N-CA 122.814 2.343 . . . . 15.48 112.237 178.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 19.1 m -80.78 60.51 4.08 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.009 -0.541 . . . . 13.76 110.759 -178.538 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 27.2 m -79.44 148.95 5.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-N 116.172 -0.467 . . . . 11.94 110.459 178.943 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 77.1 mtm180 -133.99 89.24 29.75 Favored Pre-proline 0 C--N 1.322 -0.605 0 CA-C-N 116.127 -0.488 . . . . 12.04 109.873 -178.493 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 32.1 Cg_exo -58.41 103.07 0.15 Allowed 'Trans proline' 0 C--O 1.233 0.236 0 C-N-CA 122.895 2.397 . . . . 8.79 112.255 -179.515 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 62.6 m-85 58.45 78.33 0.26 Allowed 'General case' 0 C--O 1.233 0.207 0 O-C-N 123.81 0.694 . . . . 9.33 111.252 -179.778 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 64.7 tttp -75.83 106.37 7.37 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.85 0.357 . . . . 8.26 110.272 177.167 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 53.9 mt-30 -79.1 160.95 26.84 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.241 -0.436 . . . . 6.53 110.323 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 88.0 mtm180 65.32 176.95 0.2 Allowed 'General case' 0 N--CA 1.466 0.328 0 O-C-N 123.415 0.447 . . . . 6.69 110.851 -175.152 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.425 ' HD2' HG21 ' A' ' 21' ' ' ILE . 74.8 mmtt -119.05 124.21 46.38 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.772 0.32 . . . . 3.96 110.448 -176.388 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.601 ' O ' ' HG2' ' A' ' 22' ' ' ARG . 82.8 p -81.65 177.09 9.12 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.145 -0.479 . . . . 0.97 110.108 178.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.425 ' O ' ' HG2' ' A' ' 23' ' ' GLN . 43.1 tp -57.99 -48.14 80.91 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.378 0.609 . . . . 1.11 109.685 177.719 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -56.97 -43.85 82.06 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 114.965 -1.016 . . . . 0.94 111.525 177.169 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.45 HG12 ' OG ' ' A' ' 18' ' ' SER . 49.7 mm -70.14 -29.59 40.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 C-N-CA 120.389 -0.524 . . . . 1.64 110.726 179.397 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.601 ' HG2' ' O ' ' A' ' 18' ' ' SER . 42.4 mmt180 -65.11 -36.58 84.75 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 109.194 -0.669 . . . . 2.59 109.194 177.626 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' GLN . . . . . 0.639 ' OE1' ' HA ' ' A' ' 112' ' ' ASP . 14.5 mm100 -60.35 -38.92 85.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.285 -0.871 . . . . 2.16 110.001 175.265 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 51.6 mt-10 -73.84 -46.53 44.48 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.972 -0.558 . . . . 2.83 111.88 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 11.2 mm-40 -56.85 -49.14 76.37 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.766 -0.652 . . . . 2.3 111.138 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -67.5 -37.41 78.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-O 121.294 0.569 . . . . 1.21 110.372 -178.656 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -59.62 -47.1 86.93 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.073 -0.967 . . . . 0.59 110.971 177.306 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -68.43 -42.85 80.63 Favored Glycine 0 N--CA 1.449 -0.483 0 C-N-CA 121.034 -0.603 . . . . 0.65 112.346 179.687 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 84.1 mt -61.84 -50.67 79.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 N-CA-C 111.378 0.14 . . . . 0.58 111.378 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.405 ' HD3' ' OH ' ' A' ' 105' ' ' TYR . 28.3 mtm180 -69.12 -24.55 64.13 Favored 'General case' 0 C--N 1.329 -0.295 0 C-N-CA 121.149 -0.22 . . . . 3.31 111.354 -176.844 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -75.66 -39.12 58.15 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.901 0.381 . . . . 0.91 110.932 178.329 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 17.7 tppt? -87.02 -40.49 14.68 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.341 -0.39 . . . . 3.0 111.067 -177.745 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 63.2 m-85 -122.9 86.42 50.49 Favored Pre-proline 0 C--N 1.323 -0.565 0 CA-C-N 116.617 -0.265 . . . . 1.49 110.917 -176.894 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 17.2 Cg_exo -66.52 -26.75 46.81 Favored 'Trans proline' 0 C--O 1.233 0.256 0 C-N-CA 122.612 2.208 . . . . 0.74 112.925 178.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 63.2 t30 -92.95 -11.03 34.35 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.947 0.403 . . . . 2.16 110.852 -177.572 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.433 ' HB3' ' HB3' ' A' ' 59' ' ' LEU . 75.1 mmtt -102.81 113.98 27.85 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.051 0.453 . . . . 2.03 110.651 -179.18 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 83.5 mt -91.11 126.7 54.27 Favored Pre-proline 0 C--N 1.317 -0.846 0 CA-C-N 115.857 -0.61 . . . . 0.58 110.59 -178.955 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 68.1 Cg_endo -76.03 103.31 1.72 Allowed 'Trans proline' 0 C--O 1.239 0.561 0 C-N-CA 122.696 2.264 . . . . 0.53 112.815 179.692 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 32.9 m -109.49 144.79 17.11 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.684 0 CA-C-N 115.923 -0.581 . . . . 1.39 110.153 176.753 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 60.0 t -118.51 123.34 71.4 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-N 116.276 -0.42 . . . . 0.4 110.147 -179.422 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 61.9 t -101.79 116.67 45.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-O 121.068 0.461 . . . . 1.03 110.458 -179.109 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.496 ' O ' ' HA ' ' A' ' 118' ' ' THR . 52.9 mm-40 -111.53 139.04 47.29 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.577 -0.738 . . . . 2.43 110.713 -177.185 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.428 HH11 ' HD2' ' A' ' 43' ' ' ARG . 49.6 mtm180 -73.2 137.89 45.3 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.044 -0.526 . . . . 2.32 110.006 176.437 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 12.3 t80 -67.55 135.08 92.77 Favored Pre-proline 0 C--N 1.325 -0.487 0 CA-C-N 116.312 -0.404 . . . . 1.74 110.445 -177.773 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 59.2 Cg_exo -54.2 -29.59 57.35 Favored 'Trans proline' 0 C--N 1.348 0.545 0 C-N-CA 123.244 2.629 . . . . 1.48 112.905 178.475 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 18.5 mmm180 -114.57 46.91 1.31 Allowed 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 109.324 -0.621 . . . . 4.16 109.324 177.223 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -69.53 154.61 41.74 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.222 -0.899 . . . . 2.56 111.83 -177.791 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -83.98 34.6 0.51 Allowed 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 114.785 -1.098 . . . . 3.54 110.997 178.744 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 91.7 m-85 58.32 69.83 0.7 Allowed 'General case' 0 C--O 1.234 0.283 0 CA-C-N 116.196 -0.457 . . . . 5.19 110.174 -172.775 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.412 HD12 ' N ' ' A' ' 121' ' ' SER . 3.1 tt -103.18 121.68 47.98 Favored Pre-proline 0 C--N 1.322 -0.594 0 CA-C-N 115.745 -0.661 . . . . 1.51 109.45 -174.731 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' PRO . . . . . 0.429 ' HB3' ' HB2' ' A' ' 79' ' ' LEU . 80.3 Cg_exo -46.8 122.51 6.1 Favored 'Trans proline' 0 C--O 1.234 0.309 0 C-N-CA 123.279 2.653 . . . . 1.69 113.475 179.465 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 48.1 Cg_exo -56.47 161.6 9.31 Favored 'Trans proline' 0 C--N 1.345 0.384 0 C-N-CA 123.026 2.484 . . . . 1.17 111.649 175.484 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.463 HD11 HG23 ' A' ' 73' ' ' ILE . 77.4 mt -99.41 163.15 12.65 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 116.392 -0.367 . . . . 1.22 111.965 -174.724 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -53.66 -43.01 68.46 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.515 -0.766 . . . . 2.12 110.839 177.437 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 55.4 mtpt -129.5 160.61 32.67 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.898 -0.592 . . . . 2.59 110.057 -179.724 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 23.5 m -106.43 -35.32 7.14 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.069 -0.514 . . . . 1.14 109.698 174.43 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 58.8 mtpt -92.67 116.64 29.2 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.578 -0.737 . . . . 2.14 109.788 175.638 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 73.4 m-85 -114.85 125.22 53.41 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 121.015 0.436 . . . . 1.64 110.858 178.25 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.433 ' HB3' ' HB3' ' A' ' 36' ' ' LYS . 10.1 mp -94.79 103.41 15.3 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 108.837 -0.801 . . . . 2.22 108.837 174.033 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.409 ' HA ' ' HD3' ' A' ' 61' ' ' PRO . 15.6 m -110.43 147.1 35.66 Favored Pre-proline 0 C--N 1.322 -0.629 0 CA-C-N 115.951 -0.568 . . . . 0.59 111.731 -173.071 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' PRO . . . . . 0.409 ' HD3' ' HA ' ' A' ' 60' ' ' VAL . 35.5 Cg_exo -60.1 145.46 98.39 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.828 2.352 . . . . 0.71 112.137 176.279 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' GLN . . . . . 0.431 ' CG ' ' HB2' ' A' ' 102' ' ' ALA . 62.6 tt0 -58.47 -33.47 69.8 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.122 -0.945 . . . . 1.34 112.233 -177.187 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -99.95 11.61 38.86 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.822 0.344 . . . . 3.07 111.601 -177.582 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.635 ' O ' ' HG2' ' A' ' 101' ' ' MET . 2.2 tm? -73.37 121.43 20.45 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 108.708 -0.849 . . . . 1.44 108.708 177.645 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.472 ' HA ' ' HA ' ' A' ' 100' ' ' THR . 62.6 p -78.83 157.26 28.4 Favored 'General case' 0 C--N 1.32 -0.709 0 N-CA-C 111.935 0.346 . . . . 0.68 111.935 -176.595 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 66' ' ' MET . . . . . 0.453 ' HB2' ' HA ' ' A' ' 97' ' ' MET . 83.5 mmm -57.83 -36.26 72.03 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.37 -0.377 . . . . 1.39 111.421 177.168 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 9.0 t -67.24 -34.25 77.05 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.746 0.307 . . . . 1.33 110.889 178.415 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' GLN . . . . . 0.498 ' O ' HG13 ' A' ' 72' ' ' ILE . 16.6 mm-40 -73.72 -32.75 64.04 Favored 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 120.769 -0.373 . . . . 2.03 110.293 174.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 70.5 t80 -68.89 -36.97 78.7 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.224 0.535 . . . . 1.33 109.661 177.399 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 36.9 tp -54.37 -44.13 71.97 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.0 -1.0 . . . . 1.43 109.638 171.696 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 47.8 t -67.83 -34.23 76.33 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.226 -0.897 . . . . 1.5 110.808 177.709 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.498 HG13 ' O ' ' A' ' 68' ' ' GLN . 73.6 mt -64.09 -48.52 85.49 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 N-CA-C 110.399 -0.223 . . . . 0.46 110.399 176.729 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.517 ' O ' ' HG3' ' A' ' 77' ' ' MET . 55.0 mt -58.74 -42.65 85.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 N-CA-C 110.043 -0.354 . . . . 1.08 110.043 176.254 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 8.5 tpp180 -54.44 -38.96 66.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.775 -0.648 . . . . 3.12 110.685 175.684 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 34.7 m -78.14 -34.89 49.62 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.056 -0.52 . . . . 1.33 111.499 -177.329 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 27.9 mmt180 -88.14 3.59 48.64 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 112.011 0.374 . . . . 3.11 112.011 -174.619 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' MET . . . . . 0.517 ' HG3' ' O ' ' A' ' 73' ' ' ILE . 61.9 mtt -61.37 122.93 16.38 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.633 0.254 . . . . 1.28 110.495 175.435 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 87.8 t -65.84 -36.46 77.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 121.296 0.57 . . . . 1.66 110.147 176.608 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.429 ' HB2' ' HB3' ' A' ' 51' ' ' PRO . 50.7 mt -120.0 132.52 55.51 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 115.511 -0.768 . . . . 2.29 108.934 175.551 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 80' ' ' ARG . . . . . 0.42 HH11 ' HD2' ' A' ' 80' ' ' ARG . 14.2 ttp180 -71.04 121.88 19.03 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 120.938 0.399 . . . . 4.54 111.141 -176.762 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -140.25 136.96 33.86 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 109.132 -0.692 . . . . 2.91 109.132 177.945 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 11.6 t -133.72 35.51 3.36 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-O 121.816 0.817 . . . . 4.3 110.37 -176.143 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -94.9 19.76 9.79 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.236 -0.893 . . . . 3.64 110.895 -178.16 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . 65.13 153.49 0.06 Allowed 'General case' 0 N--CA 1.469 0.489 0 CA-C-N 114.788 -1.096 . . . . 1.27 111.85 -178.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' PHE . . . . . 0.424 ' HA ' ' HA ' ' A' ' 121' ' ' SER . 13.9 p90 -157.59 147.09 20.08 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.192 0.52 . . . . 1.38 111.277 179.765 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 97.1 m-85 -100.65 148.24 25.07 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.614 -0.721 . . . . 3.3 111.06 -175.912 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 8.7 mp -113.7 118.92 35.69 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.896 -0.593 . . . . 1.56 110.207 178.376 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 81.7 mt -116.28 150.56 37.4 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 115.694 -0.685 . . . . 1.54 109.491 179.222 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.489 ' HB ' ' HB2' ' A' ' 93' ' ' SER . 84.0 t -101.93 126.32 55.93 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.889 0 C-N-CA 120.599 -0.44 . . . . 1.31 109.93 176.679 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 62.9 t30 54.2 41.71 31.87 Favored 'General case' 0 CA--C 1.532 0.259 0 CA-C-N 115.39 -0.823 . . . . 2.22 110.937 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 3.6 m-20 65.01 19.97 11.98 Favored 'General case' 0 N--CA 1.471 0.606 0 CA-C-N 115.305 -0.861 . . . . 2.53 112.884 174.728 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 54.2 tptt -150.78 -67.8 0.19 Allowed 'General case' 0 C--N 1.33 -0.251 0 C-N-CA 119.869 -0.732 . . . . 3.95 112.876 -176.798 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 93' ' ' SER . . . . . 0.489 ' HB2' ' HB ' ' A' ' 89' ' ' VAL . 15.1 m -62.41 138.73 58.51 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 112.561 0.578 . . . . 2.32 112.561 -168.378 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -79.03 155.68 28.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.535 -0.757 . . . . 2.04 110.294 178.208 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 34.3 m -113.89 153.07 15.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-O 120.976 0.417 . . . . 4.29 111.328 -179.077 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 31.6 t -97.8 116.87 30.87 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 109.005 -0.739 . . . . 1.9 109.005 172.861 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 97' ' ' MET . . . . . 0.453 ' HA ' ' HB2' ' A' ' 66' ' ' MET . 22.8 ptp -69.14 -15.4 63.41 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.868 0.366 . . . . 2.85 111.756 -174.301 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 30.4 t -90.71 -11.64 39.06 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.001 0.429 . . . . 1.6 110.533 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -77.0 149.01 35.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.868 0.365 . . . . 0.51 111.26 -177.648 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 100' ' ' THR . . . . . 0.496 ' O ' HG12 ' A' ' 104' ' ' ILE . 55.7 p -89.13 161.22 16.61 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.881 -0.6 . . . . 0.47 111.26 179.767 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 101' ' ' MET . . . . . 0.635 ' HG2' ' O ' ' A' ' 64' ' ' LEU . 32.9 mmt -55.16 -36.05 65.42 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.684 0.278 . . . . 1.18 110.405 175.41 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 102' ' ' ALA . . . . . 0.431 ' HB2' ' CG ' ' A' ' 62' ' ' GLN . . . -56.68 -51.65 67.94 Favored 'General case' 0 C--O 1.235 0.325 0 CA-C-N 116.255 -0.429 . . . . 0.39 111.128 177.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 28.8 mt-10 -65.04 -42.85 93.92 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.978 -0.556 . . . . 0.53 110.5 179.027 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 104' ' ' ILE . . . . . 0.496 HG12 ' O ' ' A' ' 100' ' ' THR . 46.6 mm -60.74 -47.63 92.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-N 115.577 -0.738 . . . . 0.45 110.8 179.418 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 105' ' ' TYR . . . . . 0.48 ' O ' ' HB2' ' A' ' 109' ' ' LYS . 9.6 t80 -62.82 -48.99 76.68 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.327 -0.397 . . . . 1.56 110.537 -179.155 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 22.7 tpt180 -57.34 -33.81 68.12 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.955 -0.566 . . . . 4.23 111.331 -179.146 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -89.47 -51.32 5.61 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 120.717 0.294 . . . . 1.77 111.592 -175.436 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 53.0 m-85 -100.69 16.24 25.58 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 112.581 0.586 . . . . 1.36 112.581 -168.917 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 109' ' ' LYS . . . . . 0.48 ' HB2' ' O ' ' A' ' 105' ' ' TYR . 26.2 ttpp -64.0 120.95 12.97 Favored 'General case' 0 C--N 1.325 -0.47 0 C-N-CA 120.956 -0.298 . . . . 1.82 110.438 176.112 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -80.49 -177.55 6.26 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 109.556 -0.535 . . . . 1.35 109.556 177.072 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 44.6 tt0 -66.2 -35.85 81.51 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.029 0.443 . . . . 2.97 110.426 -177.9 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 112' ' ' ASP . . . . . 0.639 ' HA ' ' OE1' ' A' ' 23' ' ' GLN . 2.9 p30 -73.23 -12.72 60.96 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.809 -0.632 . . . . 0.77 111.343 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 93.43 2.78 65.37 Favored Glycine 0 N--CA 1.446 -0.662 0 C-N-CA 120.869 -0.681 . . . . 0.47 113.544 174.227 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 85.7 m-85 -97.98 154.54 17.62 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 117.357 0.578 . . . . 1.35 111.485 178.691 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 23.8 t -100.99 109.84 26.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 115.917 -0.583 . . . . 1.06 109.592 174.111 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 116' ' ' TYR . . . . . . . . . . . . . 99.5 m-85 -95.78 112.81 24.45 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-O 121.19 0.519 . . . . 1.31 111.063 -176.125 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 117' ' ' MET . . . . . . . . . . . . . 63.0 mtm -118.43 132.57 56.24 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.606 -0.725 . . . . 1.19 110.351 -179.397 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 118' ' ' THR . . . . . 0.496 ' HA ' ' O ' ' A' ' 42' ' ' GLU . 1.5 m -109.79 134.03 52.48 Favored 'General case' 0 C--N 1.313 -1.004 0 CA-C-N 114.892 -1.049 . . . . 0.92 109.326 -175.735 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -129.37 143.09 50.7 Favored 'General case' 0 C--N 1.323 -0.573 0 C-N-CA 120.282 -0.567 . . . . 1.2 111.684 -175.377 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -152.84 146.02 24.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.415 -0.811 . . . . 0.86 109.882 176.455 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 121' ' ' SER . . . . . 0.424 ' HA ' ' HA ' ' A' ' 85' ' ' PHE . 23.2 t -59.74 -60.9 3.1 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.924 0.392 . . . . 2.69 110.281 -177.695 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 53.8 tt0 -157.46 130.24 7.52 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 108.985 -0.746 . . . . 4.22 108.985 175.39 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -94.54 96.68 9.62 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 109.426 -0.583 . . . . 6.07 109.426 -178.014 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 3.2 m -129.25 47.79 2.44 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 115.527 -0.761 . . . . 6.51 109.455 176.892 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 84.8 m-85 -120.48 -49.4 2.25 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.429 -0.805 . . . . 8.27 110.091 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.873 0 CA-C-O 118.573 -1.126 . . . . 10.03 110.794 -174.762 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.573 0 N-CA-C 112.143 -0.383 . . . . 29.54 112.143 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 14.5 m -86.19 -19.7 29.66 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.786 0.327 . . . . 29.85 111.228 -177.711 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 87.6 mmm -90.54 120.51 68.94 Favored Pre-proline 0 C--N 1.325 -0.461 0 CA-C-N 116.381 -0.372 . . . . 27.04 110.951 -179.228 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 26.7 Cg_exo -61.85 134.03 47.95 Favored 'Trans proline' 0 C--O 1.234 0.283 0 C-N-CA 122.777 2.318 . . . . 24.48 111.57 176.817 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo -77.2 129.58 10.52 Favored 'Trans proline' 0 N--CA 1.458 -0.571 0 C-N-CA 122.541 2.161 . . . . 22.87 112.254 179.194 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 32.1 Cg_endo -65.26 122.48 10.22 Favored 'Trans proline' 0 C--O 1.234 0.296 0 C-N-CA 122.663 2.242 . . . . 21.43 111.971 178.598 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 76.8 mt-30 -92.63 81.21 4.77 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.184 -0.462 . . . . 20.6 110.374 -179.022 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 34.8 mmtp -70.32 -40.14 74.35 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.199 0.523 . . . . 18.97 110.068 178.868 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 48.8 mm -114.13 96.2 41.3 Favored Pre-proline 0 C--N 1.324 -0.509 0 CA-C-N 115.527 -0.76 . . . . 16.36 109.626 176.234 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 17.4 Cg_exo -67.28 89.73 0.32 Allowed 'Trans proline' 0 N--CA 1.464 -0.214 0 C-N-CA 122.829 2.353 . . . . 15.48 111.691 177.679 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 4.5 p -85.26 45.49 1.19 Allowed 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 121.391 0.615 . . . . 13.76 111.064 -178.791 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.533 ' O ' ' HA ' ' A' ' 14' ' ' LYS . 27.2 m -108.71 23.9 3.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-N 115.812 -0.631 . . . . 11.94 110.612 -178.481 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 82.5 mtt180 -66.79 -45.75 55.3 Favored Pre-proline 0 CA--C 1.54 0.577 0 CA-C-N 115.848 -0.615 . . . . 12.04 112.418 -178.853 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 50.7 Cg_exo -55.12 102.86 0.09 OUTLIER 'Trans proline' 0 C--N 1.361 1.216 0 C-N-CA 122.304 2.003 . . . . 8.79 113.054 179.794 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 76.5 m-85 62.7 15.51 8.14 Favored 'General case' 0 N--CA 1.468 0.433 0 CA-C-N 115.696 -0.684 . . . . 9.33 112.261 179.886 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.533 ' HA ' ' O ' ' A' ' 10' ' ' VAL . 44.5 mmtm 55.21 81.33 0.11 Allowed 'General case' 0 C--O 1.231 0.098 0 CA-C-N 115.95 -0.568 . . . . 8.26 110.968 -174.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 76.6 mt-30 -67.62 85.46 0.19 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.009 -0.541 . . . . 6.53 110.544 -179.81 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 23.7 mmt180 66.69 176.71 0.23 Allowed 'General case' 0 C--O 1.233 0.226 0 CA-C-N 115.62 -0.718 . . . . 6.69 110.418 -176.182 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 31.9 mmtm -116.37 146.92 42.11 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 109.814 -0.439 . . . . 3.96 109.814 177.79 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.626 ' O ' ' HG3' ' A' ' 22' ' ' ARG . 91.8 p -68.09 165.26 18.45 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 109.485 -0.561 . . . . 0.97 109.485 177.786 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.433 HD12 ' HB3' ' A' ' 112' ' ' ASP . 45.7 tp -54.67 -47.55 73.47 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.608 0.718 . . . . 1.11 110.028 -177.04 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -59.79 -51.64 68.86 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-N 114.723 -1.126 . . . . 0.94 111.825 177.074 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 42.2 mm -62.7 -29.37 46.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 C-N-CA 120.734 -0.386 . . . . 1.64 110.748 -178.938 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.626 ' HG3' ' O ' ' A' ' 18' ' ' SER . 79.7 mtt180 -62.25 -41.61 98.59 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 110.02 -0.363 . . . . 2.59 110.02 178.148 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' GLN . . . . . 0.467 ' HG2' ' HA ' ' A' ' 112' ' ' ASP . 97.2 mt-30 -62.93 -33.58 75.64 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.355 -0.384 . . . . 2.16 110.48 177.39 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -74.27 -38.46 63.41 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-N 116.502 -0.317 . . . . 2.83 110.946 176.22 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -59.9 -49.38 77.91 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.093 -0.503 . . . . 2.3 109.864 179.613 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.602 HG23 ' O ' ' A' ' 22' ' ' ARG . 21.3 t -62.38 -39.95 86.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 115.758 -0.655 . . . . 1.21 110.578 177.744 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -59.58 -45.59 91.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.201 -0.454 . . . . 0.59 110.824 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -67.22 -48.82 56.87 Favored Glycine 0 N--CA 1.448 -0.564 0 C-N-CA 120.873 -0.679 . . . . 0.65 112.146 178.336 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 83.8 mt -59.59 -47.98 89.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-O 120.558 0.218 . . . . 0.58 111.256 -179.639 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 76.4 ttt180 -65.53 -29.1 69.69 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.917 0.389 . . . . 3.31 111.173 -177.127 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -80.63 -44.15 19.34 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.467 -0.333 . . . . 0.91 111.235 178.899 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 30.9 mmmt -75.35 -36.49 61.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.881 0.372 . . . . 3.0 111.142 -178.119 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 81.6 m-85 -127.35 75.14 77.39 Favored Pre-proline 0 C--N 1.321 -0.673 0 CA-C-N 116.179 -0.464 . . . . 1.49 110.366 -179.573 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 28.1 Cg_endo -62.2 -22.37 74.06 Favored 'Trans proline' 0 C--N 1.346 0.409 0 C-N-CA 122.463 2.109 . . . . 0.74 112.956 -178.221 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' ASN . . . . . 0.552 ' O ' ' HA ' ' A' ' 61' ' ' PRO . 26.7 t-20 -86.42 -14.78 42.3 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.897 -0.592 . . . . 2.16 111.157 179.865 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 3.9 mptp? -111.45 128.71 56.08 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.164 0.507 . . . . 2.03 111.012 -176.27 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 83.0 mt -105.97 124.64 35.36 Favored Pre-proline 0 C--N 1.319 -0.74 0 CA-C-N 115.616 -0.72 . . . . 0.58 110.292 -179.366 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -78.41 112.29 3.16 Favored 'Trans proline' 0 C--O 1.238 0.522 0 C-N-CA 122.645 2.23 . . . . 0.53 112.864 179.563 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.455 HG12 ' HB ' ' A' ' 115' ' ' VAL . 24.8 m -110.55 150.34 13.09 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 CA-C-N 115.628 -0.714 . . . . 1.39 110.006 178.55 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 71.7 t -123.2 118.4 54.58 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 CA-C-O 120.957 0.408 . . . . 0.4 110.294 179.561 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 61.2 t -97.6 117.1 41.75 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-N 115.95 -0.568 . . . . 1.03 110.205 179.68 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -116.65 142.84 46.37 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 115.484 -0.78 . . . . 2.43 109.782 -177.165 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 25.1 ttp180 -73.91 121.44 20.96 Favored 'General case' 0 N--CA 1.448 -0.529 0 N-CA-C 109.253 -0.647 . . . . 2.32 109.253 177.836 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' TYR . . . . . 0.598 ' CD1' ' HD2' ' A' ' 45' ' ' PRO . 17.0 t80 -51.49 133.93 34.32 Favored Pre-proline 0 C--N 1.327 -0.376 0 CA-C-N 115.676 -0.693 . . . . 1.74 110.397 -176.707 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' PRO . . . . . 0.598 ' HD2' ' CD1' ' A' ' 44' ' ' TYR . 18.0 Cg_endo -58.11 -15.3 22.46 Favored 'Trans proline' 0 N--CA 1.478 0.574 0 C-N-CA 123.454 2.77 . . . . 1.48 114.095 -173.536 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 10.4 mmm180 -99.87 -7.71 24.98 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.117 0.484 . . . . 4.16 110.49 179.078 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 12.0 tp10 -88.62 124.48 34.11 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.674 -0.694 . . . . 2.56 110.233 -179.219 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 11.9 p -133.08 -2.83 3.17 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.847 0.356 . . . . 3.54 111.544 -179.27 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 81.5 t80 -88.54 -44.35 10.73 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.936 0.398 . . . . 5.19 110.185 -176.906 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.407 ' HA ' ' HD3' ' A' ' 51' ' ' PRO . 83.6 mt -75.37 124.18 88.98 Favored Pre-proline 0 C--N 1.326 -0.422 0 CA-C-N 115.778 -0.647 . . . . 1.51 111.403 -178.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' PRO . . . . . 0.428 ' HG2' ' HB2' ' A' ' 79' ' ' LEU . 16.8 Cg_exo -69.58 133.29 25.52 Favored 'Trans proline' 0 C--O 1.234 0.293 0 C-N-CA 122.772 2.315 . . . . 1.69 111.025 171.104 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_exo -52.66 137.15 59.03 Favored 'Trans proline' 0 C--N 1.346 0.401 0 C-N-CA 123.08 2.52 . . . . 1.17 112.979 -179.037 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.404 HD11 HG23 ' A' ' 73' ' ' ILE . 39.4 mt -61.0 160.48 9.8 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-N 115.314 -0.857 . . . . 1.22 110.135 177.226 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 4.0 p-10 -77.81 -2.86 38.55 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.655 0.264 . . . . 2.12 111.11 -176.381 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 46.2 mmtm -141.34 151.42 43.55 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.991 -0.55 . . . . 2.59 109.568 175.653 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 9.9 t -125.05 -28.78 3.4 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 120.741 0.305 . . . . 1.14 110.726 178.228 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 15.4 mtpp -103.21 122.13 44.1 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 109.366 -0.605 . . . . 2.14 109.366 178.582 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 87.0 m-85 -124.81 138.06 54.28 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 120.713 0.292 . . . . 1.64 110.59 -178.373 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.422 HD12 ' O ' ' A' ' 59' ' ' LEU . 3.6 pp -108.71 119.31 39.17 Favored 'General case' 0 C--N 1.32 -0.709 0 N-CA-C 109.06 -0.718 . . . . 2.22 109.06 172.281 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 13.5 m -131.68 145.84 59.25 Favored Pre-proline 0 C--N 1.32 -0.687 0 CA-C-N 115.656 -0.702 . . . . 0.59 110.199 -177.303 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' PRO . . . . . 0.552 ' HA ' ' O ' ' A' ' 35' ' ' ASN . 20.2 Cg_endo -63.53 150.83 87.5 Favored 'Trans proline' 0 N--CA 1.46 -0.452 0 C-N-CA 122.269 1.979 . . . . 0.71 112.037 179.272 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 8.1 pt20 -62.19 -12.01 17.66 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.685 -0.689 . . . . 1.34 111.771 178.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 5.1 tm-20 -86.99 -15.84 37.54 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.338 0.59 . . . . 3.07 109.626 178.095 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.465 ' O ' ' HG2' ' A' ' 101' ' ' MET . 0.9 OUTLIER -74.4 128.48 35.65 Favored 'General case' 0 N--CA 1.451 -0.376 0 CA-C-N 115.712 -0.676 . . . . 1.44 109.458 -176.761 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 45.1 p -94.78 165.14 12.63 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 115.85 -0.614 . . . . 0.68 111.483 -178.915 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' MET . . . . . 0.486 ' HB2' ' O ' ' A' ' 96' ' ' SER . 76.9 mtp -64.21 -32.21 73.71 Favored 'General case' 0 C--N 1.326 -0.45 0 C-N-CA 120.991 -0.284 . . . . 1.39 111.202 178.228 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 12.8 t -67.62 -40.21 84.68 Favored 'General case' 0 C--O 1.235 0.335 0 C-N-CA 120.639 -0.425 . . . . 1.33 110.526 178.887 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 74.7 mm-40 -68.82 -30.25 68.76 Favored 'General case' 0 N--CA 1.454 -0.234 0 CA-C-O 121.065 0.46 . . . . 2.03 110.375 175.543 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' PHE . . . . . 0.443 ' O ' HG12 ' A' ' 73' ' ' ILE . 41.6 t80 -70.16 -38.75 75.51 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.719 -0.673 . . . . 1.33 110.224 178.556 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.433 ' HG ' ' O ' ' A' ' 66' ' ' MET . 75.5 mt -56.4 -40.72 75.12 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.776 -0.647 . . . . 1.43 110.483 174.838 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 33.2 t -61.54 -38.66 88.25 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.823 -0.626 . . . . 1.5 110.275 176.104 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 71.4 mt -66.39 -43.87 91.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.106 -0.497 . . . . 0.46 110.497 177.496 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.528 ' O ' ' HG3' ' A' ' 77' ' ' MET . 48.8 mm -58.96 -43.7 89.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.102 -0.499 . . . . 1.08 110.552 178.524 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 56.3 ttt180 -58.97 -37.49 76.92 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.881 -0.599 . . . . 3.12 110.415 178.042 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 23.0 m -78.88 -19.09 52.79 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.945 -0.57 . . . . 1.33 111.379 -179.502 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' ARG . . . . . 0.608 ' HA ' ' NE ' ' A' ' 76' ' ' ARG . 0.5 OUTLIER -97.22 3.33 51.48 Favored 'General case' 0 C--O 1.238 0.495 0 CA-C-O 121.398 0.618 . . . . 3.11 110.631 -175.813 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 77' ' ' MET . . . . . 0.528 ' HG3' ' O ' ' A' ' 73' ' ' ILE . 55.8 mtt -72.49 133.0 44.59 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.445 -0.798 . . . . 1.28 110.95 -179.819 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 46.1 t -79.12 -32.44 15.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-N 115.799 -0.637 . . . . 1.66 109.521 174.54 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.428 ' HB2' ' HG2' ' A' ' 51' ' ' PRO . 28.5 tp -86.87 119.67 27.33 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.459 -0.792 . . . . 2.29 108.974 176.205 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 32.4 tpt180 -78.12 128.84 34.41 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 120.801 0.334 . . . . 4.54 111.606 -173.136 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . 68.38 31.45 5.01 Favored 'General case' 0 C--O 1.232 0.183 0 CA-C-N 115.255 -0.884 . . . . 2.91 111.969 174.07 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 15.3 t -92.49 36.49 1.0 Allowed 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 122.151 0.977 . . . . 4.3 109.406 174.522 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.435 ' HG2' ' H ' ' A' ' 83' ' ' GLU . 4.9 pt-20 -74.87 83.32 2.18 Favored 'General case' 0 N--CA 1.44 -0.947 0 CA-C-N 114.556 -1.202 . . . . 3.64 112.442 -174.655 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -173.32 98.61 0.12 Allowed 'General case' 0 C--N 1.315 -0.92 0 CA-C-N 114.697 -1.138 . . . . 1.27 109.369 176.34 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' PHE . . . . . 0.44 ' HA ' ' HA ' ' A' ' 121' ' ' SER . 4.6 p90 -172.94 152.71 2.44 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 115.613 -0.721 . . . . 1.38 110.7 -172.1 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 71.5 m-85 -108.02 155.88 19.86 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.923 -0.58 . . . . 3.3 109.865 178.403 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 36.4 tp -121.06 123.57 42.68 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.412 -0.358 . . . . 1.56 110.482 -178.332 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 82.5 mt -112.7 129.3 56.45 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.017 -0.538 . . . . 1.54 109.832 178.933 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.412 ' HB ' ' HB3' ' A' ' 93' ' ' SER . 40.4 t -111.1 116.78 53.41 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 CA-C-O 120.65 0.262 . . . . 1.31 111.283 -177.203 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 66.1 t30 57.69 31.16 20.0 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-N 115.609 -0.723 . . . . 2.22 111.422 174.634 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 23.9 t-20 67.75 -4.12 1.03 Allowed 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 122.892 0.477 . . . . 2.53 112.259 177.209 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 31.0 mmtp -113.86 -58.01 2.21 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 121.747 -0.595 . . . . 3.95 111.944 -172.032 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 93' ' ' SER . . . . . 0.412 ' HB3' ' HB ' ' A' ' 89' ' ' VAL . 0.7 OUTLIER -81.94 128.74 34.38 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 109.688 -0.486 . . . . 2.32 109.688 -176.418 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.548 HD12 ' O ' ' A' ' 94' ' ' LEU . 1.3 pp -119.42 122.96 42.93 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.831 0.348 . . . . 2.04 111.663 -177.341 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 11.4 p 37.21 49.98 0.26 Allowed 'Isoleucine or valine' 0 CA--C 1.542 0.64 0 C-N-CA 124.432 1.093 . . . . 4.29 112.621 177.268 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 96' ' ' SER . . . . . 0.486 ' O ' ' HB2' ' A' ' 66' ' ' MET . 5.4 m -79.78 88.11 5.24 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.59 -0.732 . . . . 1.9 109.821 179.251 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 85.7 mtp -71.42 -27.81 63.56 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.798 -0.637 . . . . 2.85 111.613 -171.881 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 20.4 m -94.56 0.62 55.37 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 116.332 -0.395 . . . . 1.6 111.403 -176.447 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -85.15 136.2 33.64 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.927 0.394 . . . . 0.51 111.113 -178.41 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 72.2 p -88.36 156.9 18.9 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.046 -0.525 . . . . 0.47 110.097 176.706 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 101' ' ' MET . . . . . 0.465 ' HG2' ' O ' ' A' ' 64' ' ' LEU . 24.1 mmt -61.61 -28.78 69.61 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.678 -0.237 . . . . 1.18 110.812 177.342 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.76 -49.91 75.6 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.335 -0.393 . . . . 0.39 110.553 177.691 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 32.3 mt-10 -65.24 -45.79 83.21 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.903 -0.59 . . . . 0.53 110.673 178.769 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 39.0 mm -61.02 -47.72 92.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-N 115.399 -0.819 . . . . 0.45 111.299 -178.476 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 105' ' ' TYR . . . . . 0.439 ' HE1' ' O ' ' A' ' 113' ' ' GLY . 50.7 t80 -63.93 -38.86 92.62 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.949 0.404 . . . . 1.56 110.391 179.314 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 40.2 ttp180 -55.78 -45.57 78.12 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.524 -0.762 . . . . 4.23 111.103 -177.246 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -98.92 -45.07 6.1 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.917 -0.583 . . . . 1.77 111.647 -173.504 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 66.2 m-85 -100.73 15.78 27.14 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 113.085 0.772 . . . . 1.36 113.085 -168.571 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 109' ' ' LYS . . . . . 0.414 ' HB3' ' O ' ' A' ' 105' ' ' TYR . 21.2 pttm -55.25 134.28 49.76 Favored 'General case' 0 C--O 1.238 0.449 0 N-CA-C 109.64 -0.504 . . . . 1.82 109.64 171.563 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 110' ' ' ASP . . . . . 0.585 ' OD1' ' HG2' ' A' ' 111' ' ' GLU . 5.4 t70 -84.06 -177.65 6.73 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.541 -0.299 . . . . 1.35 110.7 -175.095 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 111' ' ' GLU . . . . . 0.585 ' HG2' ' OD1' ' A' ' 110' ' ' ASP . 10.3 pt-20 -64.68 -33.07 75.08 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.951 0.405 . . . . 2.97 111.685 -173.673 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 112' ' ' ASP . . . . . 0.467 ' HA ' ' HG2' ' A' ' 23' ' ' GLN . 4.7 p30 -87.67 -12.35 45.69 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.79 0.328 . . . . 0.77 111.204 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 113' ' ' GLY . . . . . 0.439 ' O ' ' HE1' ' A' ' 105' ' ' TYR . . . 109.1 -16.72 32.56 Favored Glycine 0 N--CA 1.449 -0.434 0 C-N-CA 120.559 -0.829 . . . . 0.47 113.233 177.532 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 114' ' ' PHE . . . . . 0.432 ' HB2' ' CE1' ' A' ' 116' ' ' TYR . 56.6 m-85 -78.41 157.65 28.95 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 117.351 0.576 . . . . 1.35 110.284 178.172 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 115' ' ' VAL . . . . . 0.455 ' HB ' HG12 ' A' ' 39' ' ' VAL . 23.9 t -100.66 108.8 23.85 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 N-CA-C 109.451 -0.574 . . . . 1.06 109.451 173.888 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 116' ' ' TYR . . . . . 0.432 ' CE1' ' HB2' ' A' ' 114' ' ' PHE . 80.3 m-85 -92.8 123.14 35.86 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 121.301 0.572 . . . . 1.31 111.167 -176.598 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 117' ' ' MET . . . . . . . . . . . . . 59.8 mtt -119.92 130.27 54.74 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.222 -0.899 . . . . 1.19 110.021 -179.811 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 2.3 p -101.76 133.44 46.5 Favored 'General case' 0 C--N 1.314 -0.964 0 CA-C-N 115.821 -0.627 . . . . 0.92 110.127 178.275 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 2.4 p90 -122.2 141.9 50.98 Favored 'General case' 0 C--N 1.32 -0.676 0 C-N-CA 120.645 -0.422 . . . . 1.2 110.161 178.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -154.09 146.96 24.38 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.805 -0.634 . . . . 0.86 109.994 -177.783 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 121' ' ' SER . . . . . 0.44 ' HA ' ' HA ' ' A' ' 85' ' ' PHE . 19.6 t -72.42 -32.92 66.73 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.117 -0.492 . . . . 2.69 109.851 -177.626 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 19.8 pt20 -140.45 149.15 42.19 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.83 -0.623 . . . . 4.22 109.781 177.538 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -94.47 155.5 16.91 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.937 -0.574 . . . . 6.07 110.62 -179.179 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 14.4 p -86.29 53.38 2.78 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 109.236 -0.653 . . . . 6.51 109.236 171.799 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 86.6 m-85 66.97 179.76 0.22 Allowed 'General case' 0 C--O 1.235 0.311 0 CA-C-N 114.847 -1.069 . . . . 8.27 110.785 -173.374 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.032 0 CA-C-O 118.602 -1.11 . . . . 10.03 112.253 -177.529 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.839 0 N-CA-C 111.784 -0.526 . . . . 29.54 111.784 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 15.4 p -89.19 124.86 34.76 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 120.724 0.297 . . . . 29.85 110.525 177.866 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.5 ttt -87.47 120.79 71.29 Favored Pre-proline 0 C--N 1.323 -0.566 0 CA-C-N 116.24 -0.437 . . . . 27.04 110.231 179.361 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 12.5 Cg_exo -70.22 132.59 22.9 Favored 'Trans proline' 0 N--CA 1.462 -0.369 0 C-N-CA 122.435 2.09 . . . . 24.48 111.349 175.737 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_exo -53.75 123.08 12.52 Favored 'Trans proline' 0 C--N 1.344 0.317 0 C-N-CA 122.443 2.096 . . . . 22.87 110.899 174.347 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 92.9 Cg_exo -43.88 116.49 0.95 Allowed 'Trans proline' 0 C--N 1.347 0.449 0 C-N-CA 123.796 2.997 . . . . 21.43 113.588 -173.604 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 55.4 mt-30 -85.72 -26.18 26.04 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.893 -0.594 . . . . 20.6 109.903 177.239 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 31.6 mmmt -76.45 144.03 40.17 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.776 -0.647 . . . . 18.97 109.9 177.172 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 6.7 tp -124.16 92.86 47.7 Favored Pre-proline 0 C--N 1.32 -0.711 0 CA-C-O 121.762 0.791 . . . . 16.36 110.045 178.17 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 33.3 Cg_exo -59.57 -50.88 7.14 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 123.193 2.596 . . . . 15.48 112.678 -178.958 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 15.2 m -91.15 108.73 20.07 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.407 -0.36 . . . . 13.76 110.875 -178.339 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 87.4 t -70.36 109.26 2.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 N-CA-C 109.945 -0.391 . . . . 11.94 109.945 176.847 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 45.2 ttp180 -111.05 111.58 56.01 Favored Pre-proline 0 C--N 1.32 -0.688 0 CA-C-N 115.851 -0.613 . . . . 12.04 110.606 -176.014 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.407 ' HB2' ' HB2' ' A' ' 15' ' ' GLN . 73.8 Cg_endo -76.36 82.6 2.2 Favored 'Trans proline' 0 N--CA 1.461 -0.419 0 C-N-CA 122.701 2.267 . . . . 8.79 112.043 179.851 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 21.1 p90 -70.9 -25.39 62.75 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.843 -0.617 . . . . 9.33 111.812 -176.483 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 72.2 mmtt -76.9 -27.48 54.96 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.94 0.4 . . . . 8.26 110.848 177.582 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.407 ' HB2' ' HB2' ' A' ' 12' ' ' PRO . 86.5 mt-30 -89.36 80.88 6.71 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 109.416 -0.587 . . . . 6.53 109.416 176.603 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -64.31 -44.76 90.57 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.812 -0.631 . . . . 6.69 110.298 -179.367 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 29.3 mmmt -119.06 124.71 47.58 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 109.375 -0.602 . . . . 3.96 109.375 177.712 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.631 ' O ' ' HG3' ' A' ' 22' ' ' ARG . 92.3 p -75.29 161.43 29.31 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.586 -0.279 . . . . 0.97 110.417 -178.836 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.406 HD12 ' HB3' ' A' ' 112' ' ' ASP . 36.1 tp -55.72 -47.02 77.6 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.498 0.666 . . . . 1.11 110.097 -178.267 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -60.54 -49.21 78.47 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 114.912 -1.04 . . . . 0.94 112.117 178.55 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.56 ' O ' ' HG2' ' A' ' 25' ' ' GLU . 65.2 mt -67.01 -28.89 44.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 C-N-CA 120.58 -0.448 . . . . 1.64 111.076 -179.457 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.631 ' HG3' ' O ' ' A' ' 18' ' ' SER . 95.8 mtt180 -64.6 -39.93 94.6 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 109.664 -0.495 . . . . 2.59 109.664 177.561 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 6.5 tp-100 -61.77 -32.6 72.88 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.809 -0.632 . . . . 2.16 109.529 176.043 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.417 ' HB2' ' O ' ' A' ' 21' ' ' ILE . 28.9 mm-40 -70.97 -47.65 57.72 Favored 'General case' 0 CA--C 1.519 -0.214 0 CA-C-N 115.847 -0.615 . . . . 2.83 110.776 176.32 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.56 ' HG2' ' O ' ' A' ' 21' ' ' ILE . 20.5 mm-40 -57.44 -48.96 77.77 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.517 -0.765 . . . . 2.3 110.721 179.055 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -65.98 -37.53 80.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.991 0.424 . . . . 1.21 110.189 -179.091 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -60.75 -45.56 93.81 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.544 -0.753 . . . . 0.59 110.305 175.831 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -67.96 -41.24 88.18 Favored Glycine 0 N--CA 1.448 -0.504 0 CA-C-N 115.903 -0.59 . . . . 0.65 112.372 179.041 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.407 HG13 ' O ' ' A' ' 25' ' ' GLU . 93.6 mt -63.07 -47.63 91.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-O 120.548 0.213 . . . . 0.58 110.655 178.005 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 44.4 ttp180 -70.64 -24.73 62.77 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.824 0.345 . . . . 3.31 111.252 -178.002 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -78.18 -30.4 49.04 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.895 0.378 . . . . 0.91 111.025 178.35 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 5.5 mptp? -92.08 -39.25 11.72 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.25 -0.432 . . . . 3.0 110.892 179.707 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 45.6 m-85 -127.98 85.17 61.28 Favored Pre-proline 0 C--N 1.324 -0.533 0 CA-C-N 116.054 -0.521 . . . . 1.49 110.04 -179.039 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 55.8 Cg_endo -71.48 -26.12 20.53 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.556 2.171 . . . . 0.74 112.869 -178.14 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 71.1 m-20 -97.61 -7.49 31.0 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.008 -0.542 . . . . 2.16 111.311 -175.302 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 63.5 mttm -100.68 138.31 37.9 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.004 0.43 . . . . 2.03 110.304 177.127 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 89.9 mt -104.22 121.81 46.24 Favored Pre-proline 0 C--N 1.318 -0.799 0 CA-C-N 115.851 -0.613 . . . . 0.58 111.076 -175.777 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -82.8 103.31 1.2 Allowed 'Trans proline' 0 N--CA 1.458 -0.571 0 C-N-CA 122.72 2.28 . . . . 0.53 112.25 176.54 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 7.6 p -111.02 132.7 58.79 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 CA-C-N 115.897 -0.592 . . . . 1.39 110.458 178.786 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 49.9 t -105.74 108.23 24.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 116.005 -0.543 . . . . 0.4 109.726 178.864 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 42.0 t -102.88 121.85 54.54 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.747 0 CA-C-N 115.821 -0.627 . . . . 1.03 110.274 -177.578 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.588 ' O ' ' HA ' ' A' ' 118' ' ' THR . 41.2 mt-10 -128.03 154.61 45.46 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.982 -0.553 . . . . 2.43 109.706 178.053 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 22.8 ptt180 -78.01 152.24 33.16 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.359 -0.382 . . . . 2.32 110.388 -178.69 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' TYR . . . . . 0.562 ' HB3' ' HB2' ' A' ' 47' ' ' GLU . 2.6 t80 -53.4 133.37 53.08 Favored Pre-proline 0 C--N 1.326 -0.426 0 CA-C-N 115.204 -0.907 . . . . 1.74 110.718 -179.243 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' PRO . . . . . 0.407 ' HB2' ' NH1' ' A' ' 46' ' ' ARG . 29.7 Cg_endo -63.06 -7.73 12.4 Favored 'Trans proline' 0 CA--C 1.531 0.365 0 C-N-CA 123.171 2.581 . . . . 1.48 113.199 -176.432 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.407 ' NH1' ' HB2' ' A' ' 45' ' ' PRO . 28.8 mmt180 -121.64 11.53 10.55 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.851 0.358 . . . . 4.16 110.473 178.533 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.562 ' HB2' ' HB3' ' A' ' 44' ' ' TYR . 10.6 tp10 -88.23 150.2 23.41 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.122 0.487 . . . . 2.56 110.688 -178.734 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 85.7 m -134.9 -36.53 0.83 Allowed 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.692 -0.686 . . . . 3.54 110.758 179.762 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 91.9 t80 -63.92 -37.76 88.6 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.811 -0.631 . . . . 5.19 111.048 -178.276 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 98.7 mt -100.69 112.78 65.2 Favored Pre-proline 0 C--N 1.324 -0.501 0 CA-C-N 116.055 -0.521 . . . . 1.51 110.999 -179.779 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_exo -76.78 160.25 34.38 Favored 'Trans proline' 0 N--CA 1.462 -0.364 0 C-N-CA 123.205 2.603 . . . . 1.69 111.499 174.182 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 33.2 Cg_exo -58.7 137.7 81.56 Favored 'Trans proline' 0 C--N 1.346 0.427 0 C-N-CA 122.653 2.236 . . . . 1.17 111.38 176.543 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.416 ' HG ' ' OH ' ' A' ' 119' ' ' TYR . 52.0 mt -72.84 170.98 13.55 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.087 -0.506 . . . . 1.22 111.587 -175.505 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.47 ' HB3' ' HG3' ' A' ' 76' ' ' ARG . 2.4 t70 -58.86 -35.86 73.67 Favored 'General case' 0 C--O 1.236 0.366 0 CA-C-O 121.078 0.466 . . . . 2.12 110.724 177.127 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 6.3 tptp -124.03 141.26 52.2 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.892 -0.594 . . . . 2.59 109.82 -179.267 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.402 HG23 ' HG3' ' A' ' 57' ' ' LYS . 15.3 t -109.11 -23.01 11.86 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.049 0.452 . . . . 1.14 109.853 176.88 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.402 ' HG3' HG23 ' A' ' 56' ' ' THR . 98.0 mttt -110.9 118.33 35.8 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 109.864 -0.421 . . . . 2.14 109.864 176.131 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 94.2 m-85 -112.16 136.09 51.99 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 116.368 -0.378 . . . . 1.64 110.201 179.246 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 98.6 mt -104.51 104.34 14.18 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 109.088 -0.708 . . . . 2.22 109.088 173.711 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 24.5 m -116.84 146.14 37.11 Favored Pre-proline 0 C--N 1.32 -0.675 0 CA-C-N 116.074 -0.512 . . . . 0.59 110.987 -176.275 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_endo -70.47 159.25 53.51 Favored 'Trans proline' 0 N--CA 1.464 -0.259 0 C-N-CA 122.388 2.059 . . . . 0.71 111.592 176.936 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' GLN . . . . . 0.479 ' HB3' ' HB2' ' A' ' 102' ' ' ALA . 42.8 mt-30 -64.48 -17.28 63.71 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.716 -0.674 . . . . 1.34 111.769 -176.318 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 42.7 tt0 -86.53 -10.23 54.49 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.079 0.466 . . . . 3.07 110.629 -178.332 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.42 HD22 ' HA ' ' A' ' 64' ' ' LEU . 0.6 OUTLIER -72.61 121.26 19.45 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.816 -0.629 . . . . 1.44 109.785 -176.536 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.454 HG22 HG22 ' A' ' 100' ' ' THR . 82.6 p -92.14 167.59 11.95 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.235 -0.439 . . . . 0.68 111.28 179.887 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' MET . . . . . 0.503 ' O ' ' HG ' ' A' ' 70' ' ' LEU . 60.8 mtp -60.98 -37.97 84.34 Favored 'General case' 0 C--N 1.328 -0.333 0 C-N-CA 120.75 -0.38 . . . . 1.39 110.578 177.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 47.7 m -57.95 -49.89 75.23 Favored 'General case' 0 C--O 1.238 0.481 0 CA-C-O 121.265 0.555 . . . . 1.33 111.009 177.659 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' GLN . . . . . 0.405 ' O ' HG13 ' A' ' 72' ' ' ILE . 91.6 mt-30 -67.5 -30.65 70.39 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.823 -0.626 . . . . 2.03 110.486 -179.371 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 69' ' ' PHE . . . . . 0.421 ' O ' HG12 ' A' ' 73' ' ' ILE . 32.4 t80 -70.24 -37.86 75.06 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.8 -0.636 . . . . 1.33 110.203 179.568 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.503 ' HG ' ' O ' ' A' ' 66' ' ' MET . 78.2 mt -55.75 -43.76 76.97 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.807 -0.633 . . . . 1.43 110.363 175.833 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 19.6 m -61.81 -40.95 97.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.056 -0.52 . . . . 1.5 110.671 176.085 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.405 HG13 ' O ' ' A' ' 68' ' ' GLN . 68.6 mt -64.33 -41.85 93.61 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.181 0 CA-C-N 116.311 -0.404 . . . . 0.46 110.563 178.281 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.421 HG12 ' O ' ' A' ' 69' ' ' PHE . 39.4 mm -59.13 -43.62 89.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.085 -0.507 . . . . 1.08 110.519 177.037 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 60.7 ttp180 -64.93 -30.55 71.55 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.129 -0.487 . . . . 3.12 110.462 178.162 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 19.5 m -73.79 -19.35 60.79 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.208 -0.451 . . . . 1.33 110.659 178.001 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' ARG . . . . . 0.47 ' HG3' ' HB3' ' A' ' 54' ' ' ASP . 0.1 OUTLIER -104.63 3.75 32.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.96 0.409 . . . . 3.11 110.606 -178.501 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 13.2 mmt -64.01 130.89 45.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.856 -0.611 . . . . 1.28 110.439 176.56 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 61.1 t -68.57 -30.32 46.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 115.853 -0.612 . . . . 1.66 110.418 179.005 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.56 HD13 ' H ' ' A' ' 79' ' ' LEU . 0.0 OUTLIER -127.57 145.61 50.8 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.594 -0.73 . . . . 2.29 109.417 176.829 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 4.6 tpp180 -75.85 119.85 20.4 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.854 0.359 . . . . 4.54 110.826 -178.935 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -153.3 135.21 14.65 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.554 -0.748 . . . . 2.91 109.763 176.905 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 3.6 m -109.2 25.67 11.53 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-O 121.959 0.885 . . . . 4.3 109.596 178.692 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 11.4 tp10 -63.04 143.96 57.31 Favored 'General case' 0 N--CA 1.451 -0.381 0 CA-C-N 115.06 -0.973 . . . . 3.64 109.732 176.576 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -78.93 111.45 15.12 Favored 'General case' 0 C--N 1.317 -0.805 0 N-CA-C 109.901 -0.407 . . . . 1.27 109.901 179.218 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 8.1 p90 -125.94 152.26 45.88 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 115.658 -0.701 . . . . 1.38 109.789 -177.412 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 85.9 m-85 -104.02 139.13 39.57 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-O 121.018 0.437 . . . . 3.3 111.299 -173.728 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 45.8 tp -109.99 116.15 31.07 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.681 -0.691 . . . . 1.56 109.817 176.647 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -101.02 142.91 31.81 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-N 115.904 -0.589 . . . . 1.54 110.185 -179.576 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 31.7 t -102.77 113.57 39.81 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.713 0 N-CA-C 109.389 -0.597 . . . . 1.31 109.389 177.351 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 15.2 m120 56.05 30.17 15.79 Favored 'General case' 0 N--CA 1.465 0.313 0 O-C-N 123.609 0.568 . . . . 2.22 110.577 -176.38 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 88.5 m-20 61.21 17.28 8.02 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-N 115.494 -0.776 . . . . 2.53 111.392 -178.095 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 68.0 mttm -112.61 -72.43 0.71 Allowed 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.634 0.254 . . . . 3.95 111.407 -178.78 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 6.3 m -74.78 139.67 43.49 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.269 -0.423 . . . . 2.32 111.702 -173.943 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 52.4 tp -95.77 158.38 15.48 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.722 -0.672 . . . . 2.04 109.342 175.935 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 9.0 m -49.55 121.6 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.154 0 CA-C-O 121.249 0.547 . . . . 4.29 112.458 -178.733 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 44.8 t -118.11 124.32 47.75 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.667 -0.697 . . . . 1.9 109.254 174.698 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 63.2 mtt -77.89 -1.89 34.02 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.0 0.429 . . . . 2.85 111.041 -178.4 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 19.5 t -109.05 -11.0 15.0 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.044 -0.526 . . . . 1.6 110.304 178.351 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -85.47 132.17 34.25 Favored 'General case' 0 C--O 1.235 0.338 0 CA-C-O 120.912 0.387 . . . . 0.51 111.466 -176.628 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 100' ' ' THR . . . . . 0.454 HG22 HG22 ' A' ' 65' ' ' THR . 59.4 p -96.29 151.18 19.76 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.712 -0.676 . . . . 0.47 109.51 174.609 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 101' ' ' MET . . . . . 0.438 ' HE1' ' HA ' ' A' ' 66' ' ' MET . 0.0 OUTLIER -63.01 -24.49 67.94 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.297 -0.411 . . . . 1.18 111.045 178.088 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 102' ' ' ALA . . . . . 0.479 ' HB2' ' HB3' ' A' ' 62' ' ' GLN . . . -59.26 -51.41 70.06 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.016 0.436 . . . . 0.39 110.477 175.841 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 25.4 mt-10 -64.94 -44.34 89.77 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.712 -0.676 . . . . 0.53 110.325 178.875 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 104' ' ' ILE . . . . . 0.415 HG12 ' O ' ' A' ' 100' ' ' THR . 48.1 mm -59.51 -48.06 88.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 115.333 -0.849 . . . . 0.45 111.077 -179.49 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 63.4 t80 -57.81 -51.98 67.35 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.183 -0.462 . . . . 1.56 111.067 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 59.2 ttt180 -56.68 -37.86 71.44 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.766 -0.652 . . . . 4.23 111.606 -175.039 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -93.38 -50.65 5.35 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 112.051 0.389 . . . . 1.77 112.051 -174.265 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 85.7 m-85 -96.22 10.78 36.73 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 113.38 0.881 . . . . 1.36 113.38 -167.564 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 55.9 pttt -57.22 126.94 29.49 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 109.494 -0.558 . . . . 1.82 109.494 171.075 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -73.58 -178.61 3.16 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.284 -0.417 . . . . 1.35 110.386 -174.108 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 16.1 mm-40 -55.85 -40.19 72.51 Favored 'General case' 0 C--O 1.236 0.343 0 CA-C-O 120.709 0.29 . . . . 2.97 111.429 -176.515 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 112' ' ' ASP . . . . . 0.406 ' HB3' HD12 ' A' ' 19' ' ' LEU . 3.0 p30 -77.68 -11.81 59.91 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.188 -0.46 . . . . 0.77 111.653 -178.472 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 108.76 -22.25 26.31 Favored Glycine 0 N--CA 1.45 -0.428 0 C-N-CA 120.7 -0.762 . . . . 0.47 113.093 176.186 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 114' ' ' PHE . . . . . 0.422 ' HB2' ' CE1' ' A' ' 116' ' ' TYR . 84.2 m-85 -79.73 152.34 29.91 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.948 0.404 . . . . 1.35 110.892 -178.381 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 42.4 t -96.16 109.99 23.77 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 N-CA-C 109.341 -0.614 . . . . 1.06 109.341 175.198 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 116' ' ' TYR . . . . . 0.422 ' CE1' ' HB2' ' A' ' 114' ' ' PHE . 81.1 m-85 -95.32 122.38 37.97 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-O 121.051 0.453 . . . . 1.31 110.841 -177.237 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 117' ' ' MET . . . . . . . . . . . . . 65.2 mtt -119.17 155.22 32.03 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 115.816 -0.629 . . . . 1.19 110.242 179.696 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 118' ' ' THR . . . . . 0.588 ' HA ' ' O ' ' A' ' 42' ' ' GLU . 97.6 m -136.22 133.43 37.06 Favored 'General case' 0 C--N 1.315 -0.919 0 CA-C-N 115.756 -0.657 . . . . 0.92 110.037 -176.771 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 119' ' ' TYR . . . . . 0.416 ' OH ' ' HG ' ' A' ' 53' ' ' LEU . 14.3 p90 -118.91 141.76 48.37 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-O 120.958 0.409 . . . . 1.2 110.798 -178.75 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 120' ' ' ALA . . . . . 0.489 ' HB2' ' HB2' ' A' ' 44' ' ' TYR . . . -143.17 157.38 44.56 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.614 -0.721 . . . . 0.86 110.022 179.496 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 24.0 t -63.17 -68.0 0.38 Allowed 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 110.175 -0.305 . . . . 2.69 110.175 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 54.0 mt-30 -145.69 131.59 19.15 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.461 -0.336 . . . . 4.22 110.205 178.835 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -93.74 72.36 4.23 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 121.04 0.448 . . . . 6.07 110.053 177.021 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 27.2 p -76.16 67.13 2.41 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.855 -0.611 . . . . 6.51 110.441 178.639 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 40.9 t80 -148.02 174.37 11.97 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.573 -0.74 . . . . 8.27 109.468 -177.247 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.946 0 CA-C-O 118.276 -1.291 . . . . 10.03 111.493 -179.929 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.785 0 N-CA-C 111.9 -0.48 . . . . 29.54 111.9 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 13.5 p -82.92 143.75 30.5 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 120.742 0.306 . . . . 29.85 110.249 177.867 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 50.1 tpp -94.42 120.55 65.01 Favored Pre-proline 0 C--N 1.324 -0.538 0 CA-C-N 116.365 -0.379 . . . . 27.04 110.292 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_exo -58.32 133.46 55.14 Favored 'Trans proline' 0 C--O 1.234 0.282 0 C-N-CA 122.61 2.207 . . . . 24.48 111.365 176.512 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 13.2 Cg_endo -56.75 140.57 91.31 Favored 'Trans proline' 0 C--N 1.345 0.349 0 C-N-CA 122.661 2.241 . . . . 22.87 111.639 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 35.6 Cg_endo -65.35 88.55 0.2 Allowed 'Trans proline' 0 CA--C 1.53 0.309 0 C-N-CA 122.897 2.398 . . . . 21.43 112.836 -176.565 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 13.4 pt20 -68.98 145.31 53.7 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.004 -0.544 . . . . 20.6 110.513 179.211 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 46.7 mttp -130.34 120.2 23.96 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.3 -0.409 . . . . 18.97 110.613 -175.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 43.5 mm -100.79 110.3 60.34 Favored Pre-proline 0 C--N 1.323 -0.544 0 N-CA-C 109.269 -0.641 . . . . 16.36 109.269 175.89 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 92.2 Cg_endo -80.49 37.02 0.65 Allowed 'Trans proline' 0 C--O 1.232 0.215 0 C-N-CA 123.008 2.472 . . . . 15.48 113.552 -172.157 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 8.2 t -170.5 -69.55 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 C-N-CA 121.204 -0.199 . . . . 13.76 110.66 178.664 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.454 ' O ' ' HD3' ' A' ' 12' ' ' PRO . 58.4 t 68.86 102.68 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.464 0.255 0 CA-C-O 121.12 0.486 . . . . 11.94 110.551 -176.92 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -109.52 97.35 26.85 Favored Pre-proline 0 C--N 1.323 -0.556 0 CA-C-N 116.11 -0.496 . . . . 12.04 111.088 179.045 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.454 ' HD3' ' O ' ' A' ' 10' ' ' VAL . 10.4 Cg_exo -71.57 137.69 30.84 Favored 'Trans proline' 0 N--CA 1.459 -0.508 0 C-N-CA 122.534 2.156 . . . . 8.79 110.689 174.031 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 12.7 m-85 -78.57 96.52 5.49 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 121.214 0.53 . . . . 9.33 110.308 -175.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 33.1 mmtp -71.57 -50.73 28.25 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.48 -0.782 . . . . 8.26 110.838 -176.172 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 53.1 tt0 -87.41 -59.72 2.17 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.909 -0.587 . . . . 6.53 109.967 -179.706 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 39.8 ttm180 -176.53 -52.11 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.734 -0.666 . . . . 6.69 109.438 179.828 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 23.1 pttm -119.17 147.39 44.26 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.991 -0.549 . . . . 3.96 109.982 175.419 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.591 ' O ' ' HG3' ' A' ' 22' ' ' ARG . 77.9 p -91.71 -178.13 4.97 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 116.115 -0.493 . . . . 0.97 110.342 -179.654 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.402 ' O ' ' HB2' ' A' ' 22' ' ' ARG . 29.8 tp -63.85 -45.04 91.3 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.356 0.598 . . . . 1.11 109.667 176.418 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -60.58 -40.91 93.45 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.291 -0.868 . . . . 0.94 111.431 177.406 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.409 HG13 ' OG ' ' A' ' 18' ' ' SER . 50.5 mt -66.64 -33.01 60.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 C-N-CA 120.442 -0.503 . . . . 1.64 110.532 176.622 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.591 ' HG3' ' O ' ' A' ' 18' ' ' SER . 97.4 mtt180 -57.96 -43.66 86.58 Favored 'General case' 0 CA--C 1.52 -0.192 0 N-CA-C 109.252 -0.648 . . . . 2.59 109.252 177.753 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 6.5 tp-100 -60.55 -39.94 89.77 Favored 'General case' 0 N--CA 1.452 -0.349 0 CA-C-N 115.007 -0.997 . . . . 2.16 110.483 179.129 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -73.84 -49.71 23.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.085 0.469 . . . . 2.83 111.408 -179.315 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.421 ' O ' HG13 ' A' ' 29' ' ' ILE . 39.6 tt0 -58.17 -47.82 82.18 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 115.318 -0.855 . . . . 2.3 111.005 -177.591 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 2.3 p -63.34 -40.87 90.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 121.089 0.471 . . . . 1.21 110.313 179.041 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -59.14 -47.71 84.29 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.093 -0.958 . . . . 0.59 110.672 178.046 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -63.14 -46.72 92.63 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 121.116 -0.564 . . . . 0.65 112.563 178.617 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.421 HG13 ' O ' ' A' ' 25' ' ' GLU . 68.9 mt -61.62 -49.31 84.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.648 0.261 . . . . 0.58 111.145 -179.058 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 31.8 tpt180 -67.85 -27.02 66.33 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.317 -0.401 . . . . 3.31 111.315 -176.257 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -80.29 -37.56 32.53 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.181 0.515 . . . . 0.91 110.801 178.477 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 35.0 ttpt -78.07 -31.77 50.36 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.7 -0.682 . . . . 3.0 110.844 -178.191 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 84.5 m-85 -127.0 86.26 59.29 Favored Pre-proline 0 C--N 1.325 -0.486 0 CA-C-N 116.208 -0.451 . . . . 1.49 110.636 178.253 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 38.0 Cg_endo -67.66 -22.26 44.17 Favored 'Trans proline' 0 C--N 1.343 0.239 0 C-N-CA 122.665 2.243 . . . . 0.74 112.713 -178.515 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' ASN . . . . . 0.46 ' O ' ' HG3' ' A' ' 62' ' ' GLN . 28.1 t-20 -89.51 -13.25 37.84 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.791 -0.64 . . . . 2.16 110.81 -179.578 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 63.1 mttm -111.36 151.37 28.52 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.244 0.545 . . . . 2.03 111.119 -176.489 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 89.0 mt -120.91 128.81 25.59 Favored Pre-proline 0 C--N 1.321 -0.635 0 CA-C-N 115.566 -0.743 . . . . 0.58 110.284 -178.832 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 8.1 Cg_exo -72.37 103.8 1.59 Allowed 'Trans proline' 0 C--O 1.239 0.572 0 C-N-CA 122.718 2.279 . . . . 0.53 112.381 177.497 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.503 HG23 HG13 ' A' ' 115' ' ' VAL . 9.3 p -107.35 137.22 39.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 CA-C-N 116.111 -0.495 . . . . 1.39 110.473 178.239 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 61.6 t -111.24 121.79 64.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-N 116.077 -0.51 . . . . 0.4 110.03 178.073 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.437 ' HA ' ' O ' ' A' ' 117' ' ' MET . 38.6 t -107.06 128.06 62.23 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 CA-C-O 121.1 0.476 . . . . 1.03 110.601 -177.094 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.604 ' O ' ' HA ' ' A' ' 118' ' ' THR . 39.2 tt0 -128.23 146.11 50.84 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.856 -0.611 . . . . 2.43 109.689 -178.592 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 31.0 ptt180 -85.81 138.79 31.81 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.995 0.426 . . . . 2.32 110.935 -178.033 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' TYR . . . . . 0.54 ' CD1' ' HD2' ' A' ' 45' ' ' PRO . 1.8 t80 -82.88 129.1 63.11 Favored Pre-proline 0 C--N 1.325 -0.465 0 CA-C-N 115.696 -0.684 . . . . 1.74 111.234 -173.733 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' PRO . . . . . 0.54 ' HD2' ' CD1' ' A' ' 44' ' ' TYR . 52.1 Cg_endo -69.19 -7.82 21.92 Favored 'Trans proline' 0 C--N 1.345 0.381 0 C-N-CA 123.238 2.625 . . . . 1.48 113.427 -178.588 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.429 ' NE ' ' HA ' ' A' ' 46' ' ' ARG . 6.8 tpm_? -60.76 -39.41 88.65 Favored 'General case' 0 C--N 1.331 -0.217 0 N-CA-C 109.643 -0.503 . . . . 4.16 109.643 175.957 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 13.4 tp10 -87.94 152.17 22.27 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 108.623 -0.88 . . . . 2.56 108.623 171.861 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 11.4 m -74.64 69.42 1.75 Allowed 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 121.371 0.605 . . . . 3.54 109.816 178.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 73.6 m-85 60.42 83.91 0.13 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 114.683 -1.144 . . . . 5.19 112.439 175.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 13.2 mt -58.37 147.67 67.1 Favored Pre-proline 0 C--O 1.237 0.413 0 N-CA-C 109.149 -0.686 . . . . 1.51 109.149 169.288 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' PRO . . . . . 0.446 ' HB3' ' HB3' ' A' ' 79' ' ' LEU . 9.6 Cg_endo -52.73 125.8 19.13 Favored 'Trans proline' 0 C--O 1.232 0.205 0 C-N-CA 123.067 2.511 . . . . 1.69 112.365 179.718 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 31.5 Cg_exo -59.97 161.72 18.19 Favored 'Trans proline' 0 C--N 1.344 0.322 0 C-N-CA 122.787 2.325 . . . . 1.17 111.855 177.288 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 40.3 mt -105.57 173.08 6.46 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 116.097 -0.502 . . . . 1.22 111.122 -176.543 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -55.14 -42.91 73.67 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.047 0.451 . . . . 2.12 110.983 177.51 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 33.4 mtmm -133.09 162.07 32.7 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.856 -0.611 . . . . 2.59 110.478 -178.549 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 9.1 m -92.04 -27.49 17.77 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.648 -0.705 . . . . 1.14 109.415 174.397 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 4.7 ptpp? -117.32 145.6 43.9 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.66 -0.7 . . . . 2.14 109.958 176.022 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 98.1 m-85 -130.97 142.85 50.38 Favored 'General case' 0 C--N 1.316 -0.889 0 CA-C-N 116.281 -0.418 . . . . 1.64 109.927 176.797 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 7.0 mp -95.91 103.84 15.75 Favored 'General case' 0 C--N 1.32 -0.704 0 N-CA-C 109.012 -0.736 . . . . 2.22 109.012 176.321 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 31.3 m -114.32 141.44 26.48 Favored Pre-proline 0 C--N 1.318 -0.8 0 CA-C-N 115.935 -0.575 . . . . 0.59 110.858 -175.191 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 57.1 Cg_endo -73.42 153.72 50.31 Favored 'Trans proline' 0 N--CA 1.461 -0.421 0 C-N-CA 122.297 1.998 . . . . 0.71 111.825 -179.278 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' GLN . . . . . 0.527 ' HB3' ' HB2' ' A' ' 102' ' ' ALA . 30.8 mt-30 -66.9 -13.21 61.46 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.839 -0.618 . . . . 1.34 110.396 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 22.9 tp10 -80.75 -18.58 47.26 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.356 -0.838 . . . . 3.07 110.496 179.363 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 16.6 tp -73.05 147.16 45.3 Favored 'General case' 0 N--CA 1.446 -0.625 0 CA-C-N 115.938 -0.574 . . . . 1.44 110.554 -175.022 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 76.6 p -107.27 164.01 12.54 Favored 'General case' 0 C--N 1.316 -0.866 0 CA-C-N 115.472 -0.786 . . . . 0.68 110.58 177.063 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 91.2 mmm -55.92 -44.14 78.03 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.935 0.398 . . . . 1.39 110.718 177.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 52.7 m -57.96 -49.73 75.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.814 -0.63 . . . . 1.33 111.711 179.647 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' GLN . . . . . 0.45 ' O ' HG13 ' A' ' 72' ' ' ILE . 78.8 mt-30 -63.94 -35.82 81.93 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 116.555 -0.293 . . . . 2.03 111.276 -177.583 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 22.1 t80 -70.3 -36.35 74.28 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.87 0.367 . . . . 1.33 110.259 -179.686 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 60.4 tp -55.75 -43.44 76.67 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.702 -0.681 . . . . 1.43 110.279 175.871 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 20.3 m -65.48 -37.12 85.9 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.862 -0.608 . . . . 1.5 110.67 176.433 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.45 HG13 ' O ' ' A' ' 68' ' ' GLN . 68.1 mt -65.66 -43.29 93.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.18 -0.464 . . . . 0.46 110.8 178.292 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 68.5 mt -56.82 -46.57 83.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-O 121.071 0.463 . . . . 1.08 110.582 176.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 37.9 ttp180 -63.63 -30.8 71.86 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.733 -0.667 . . . . 3.12 110.819 178.483 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 46.1 t -77.22 -25.38 51.59 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.165 -0.47 . . . . 1.33 111.064 179.011 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' ARG . . . . . 0.421 ' HD3' ' O ' ' A' ' 72' ' ' ILE . 9.9 mpt_? -97.17 3.76 51.41 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.501 -0.318 . . . . 3.11 111.112 -178.51 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 77' ' ' MET . . . . . 0.423 ' HB3' ' O ' ' A' ' 79' ' ' LEU . 12.4 mmt -55.73 130.99 45.52 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.777 -0.647 . . . . 1.28 111.076 176.42 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 73.5 t -71.05 -30.91 43.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 121.338 0.589 . . . . 1.66 109.584 174.051 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.446 ' HB3' ' HB3' ' A' ' 51' ' ' PRO . 43.8 tp -120.25 127.52 52.48 Favored 'General case' 0 C--N 1.319 -0.758 0 N-CA-C 108.639 -0.875 . . . . 2.29 108.639 174.338 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 38.6 ttm180 -54.29 121.05 7.42 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 121.083 0.468 . . . . 4.54 111.33 -175.645 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -95.42 112.39 24.11 Favored 'General case' 0 N--CA 1.448 -0.547 0 CA-C-N 115.511 -0.768 . . . . 2.91 110.384 -179.856 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 9.0 t -106.99 -3.77 19.75 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-O 121.6 0.714 . . . . 4.3 109.495 178.37 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 1.4 pm0 -96.63 152.43 18.66 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.052 -0.976 . . . . 3.64 109.565 175.624 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -79.45 135.98 36.81 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.373 -0.376 . . . . 1.27 110.455 179.853 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 23.2 p90 -139.0 151.02 46.49 Favored 'General case' 0 C--N 1.319 -0.755 0 N-CA-C 109.259 -0.645 . . . . 1.38 109.259 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' TYR . . . . . 0.416 ' CZ ' ' HB3' ' A' ' 120' ' ' ALA . 48.6 p90 -112.38 150.33 31.25 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 120.933 0.397 . . . . 3.3 111.158 -178.182 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.409 HD21 ' SD ' ' A' ' 117' ' ' MET . 42.6 tp -103.61 111.62 24.17 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.513 -0.767 . . . . 1.56 109.577 176.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.468 ' CD2' ' HA ' ' A' ' 91' ' ' ASN . 32.0 tp -101.94 125.65 48.67 Favored 'General case' 0 C--N 1.316 -0.853 0 CA-C-N 115.612 -0.722 . . . . 1.54 109.739 -176.897 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 21.7 t -102.37 118.9 49.93 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.742 0 CA-C-N 116.55 -0.295 . . . . 1.31 110.307 -176.278 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 65.5 t30 59.42 30.22 19.88 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-N 115.555 -0.748 . . . . 2.22 110.489 179.084 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 91' ' ' ASN . . . . . 0.468 ' HA ' ' CD2' ' A' ' 88' ' ' LEU . 88.2 m-20 51.32 32.1 7.92 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-N 115.62 -0.718 . . . . 2.53 111.657 -178.405 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 22.8 ttmm -132.87 -58.56 0.91 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.467 -0.333 . . . . 3.95 111.147 -176.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 93' ' ' SER . . . . . 0.416 ' O ' HD12 ' A' ' 88' ' ' LEU . 42.6 t -97.63 137.42 36.58 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.285 -0.416 . . . . 2.32 110.996 -175.502 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 7.4 mp -88.02 -164.57 1.13 Allowed 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 109.809 -0.441 . . . . 2.04 109.809 175.707 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 70.8 t -69.07 87.22 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-O 121.309 0.576 . . . . 4.29 110.513 177.615 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 96' ' ' SER . . . . . 0.491 ' HB2' ' HB3' ' A' ' 99' ' ' ALA . 17.7 m -69.01 97.86 0.91 Allowed 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.592 -0.731 . . . . 1.9 109.33 173.697 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.12 -24.15 66.97 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.672 -0.694 . . . . 2.85 112.324 -172.02 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 22.7 t -95.43 -17.17 21.75 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-O 120.746 0.308 . . . . 1.6 111.058 -177.27 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 99' ' ' ALA . . . . . 0.491 ' HB3' ' HB2' ' A' ' 96' ' ' SER . . . -85.08 138.63 32.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.231 0.539 . . . . 0.51 111.648 -174.573 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 100' ' ' THR . . . . . 0.435 ' O ' HG12 ' A' ' 104' ' ' ILE . 57.7 p -92.78 160.56 14.9 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.263 -0.88 . . . . 0.47 110.746 178.758 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.73 -28.95 67.8 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.529 -0.305 . . . . 1.18 110.969 175.206 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 102' ' ' ALA . . . . . 0.527 ' HB2' ' HB3' ' A' ' 62' ' ' GLN . . . -59.69 -52.27 66.24 Favored 'General case' 0 N--CA 1.451 -0.38 0 CA-C-N 116.28 -0.418 . . . . 0.39 110.222 176.823 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 28.8 mt-10 -63.0 -47.28 83.81 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.958 -0.564 . . . . 0.53 110.604 179.481 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 104' ' ' ILE . . . . . 0.435 HG12 ' O ' ' A' ' 100' ' ' THR . 48.7 mm -58.48 -46.64 89.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 115.407 -0.815 . . . . 0.45 111.332 -178.579 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 105' ' ' TYR . . . . . 0.485 ' O ' ' HB2' ' A' ' 109' ' ' LYS . 39.5 t80 -64.47 -45.61 86.64 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.705 0.288 . . . . 1.56 111.358 -178.858 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 106' ' ' ARG . . . . . 0.425 ' HG3' ' O ' ' A' ' 102' ' ' ALA . 97.3 mtt180 -62.85 -25.62 68.37 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.321 -0.399 . . . . 4.23 111.707 -176.733 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -99.24 -49.12 4.58 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.04 0.448 . . . . 1.77 111.47 -178.958 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 66.6 m-85 -97.04 18.31 15.07 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 112.405 0.52 . . . . 1.36 112.405 -171.601 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 109' ' ' LYS . . . . . 0.485 ' HB2' ' O ' ' A' ' 105' ' ' TYR . 40.0 ttpt -60.14 125.06 22.21 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 109.941 -0.392 . . . . 1.82 109.941 174.607 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -83.01 -179.36 7.42 Favored 'General case' 0 C--N 1.326 -0.427 0 C-N-CA 121.093 -0.243 . . . . 1.35 110.381 -178.481 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -64.68 -38.12 89.92 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 120.744 0.307 . . . . 2.97 111.478 -173.954 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 5.6 p30 -79.81 -12.19 59.78 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.506 -0.316 . . . . 0.77 111.574 -177.37 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 108.53 -14.86 35.5 Favored Glycine 0 N--CA 1.449 -0.44 0 C-N-CA 120.384 -0.913 . . . . 0.47 113.518 174.49 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 77.9 m-85 -85.77 155.4 21.04 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 117.081 0.441 . . . . 1.35 110.521 179.026 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 115' ' ' VAL . . . . . 0.503 HG13 HG23 ' A' ' 39' ' ' VAL . 3.1 p -103.33 117.55 48.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 N-CA-C 109.574 -0.528 . . . . 1.06 109.574 172.615 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 116' ' ' TYR . . . . . . . . . . . . . 74.6 m-85 -98.73 120.2 38.77 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 121.331 0.586 . . . . 1.31 111.359 -173.84 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 117' ' ' MET . . . . . 0.437 ' O ' ' HA ' ' A' ' 41' ' ' VAL . 62.6 mtt -119.09 130.78 55.78 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.156 -0.929 . . . . 1.19 109.426 178.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 118' ' ' THR . . . . . 0.604 ' HA ' ' O ' ' A' ' 42' ' ' GLU . 6.2 m -116.1 132.97 56.51 Favored 'General case' 0 C--N 1.312 -1.032 0 N-CA-C 109.593 -0.521 . . . . 0.92 109.593 -175.778 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 3.8 p90 -117.03 140.97 48.85 Favored 'General case' 0 C--N 1.325 -0.461 0 C-N-CA 120.132 -0.627 . . . . 1.2 111.678 -173.819 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 120' ' ' ALA . . . . . 0.472 ' HB2' ' HB3' ' A' ' 44' ' ' TYR . . . -139.48 162.96 33.78 Favored 'General case' 0 CA--C 1.518 -0.268 0 CA-C-N 115.445 -0.798 . . . . 0.86 110.609 -176.772 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 4.6 p -65.86 131.34 46.05 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.329 -0.396 . . . . 2.69 110.424 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 52.1 tt0 -95.76 142.14 28.39 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.888 0.375 . . . . 4.22 110.977 -175.309 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -144.76 152.21 40.03 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 109.152 -0.685 . . . . 6.07 109.152 177.654 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 19.0 m -148.85 82.78 1.45 Allowed 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 121.135 0.493 . . . . 6.51 110.12 179.074 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 45.9 p90 -97.64 170.19 9.18 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.787 -0.642 . . . . 8.27 110.91 -179.217 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.097 0 CA-C-O 118.71 -1.05 . . . . 10.03 111.759 -179.37 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.784 0 N-CA-C 111.959 -0.457 . . . . 29.54 111.959 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 37.0 m 60.38 60.12 2.09 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-O 121.102 0.477 . . . . 29.85 111.101 178.889 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 88.1 mtp -83.69 119.43 73.66 Favored Pre-proline 0 C--N 1.324 -0.501 0 CA-C-N 115.972 -0.558 . . . . 27.04 110.168 179.843 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 2' ' ' PRO . . . . . 0.435 ' HA ' ' HD3' ' A' ' 3' ' ' PRO . 37.9 Cg_endo -65.85 128.82 20.62 Favored 'Trans proline' 0 C--O 1.234 0.315 0 C-N-CA 122.521 2.148 . . . . 24.48 112.537 -175.635 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 3' ' ' PRO . . . . . 0.435 ' HD3' ' HA ' ' A' ' 2' ' ' PRO . 12.6 Cg_exo -70.92 149.62 59.78 Favored 'Trans proline' 0 N--CA 1.461 -0.4 0 C-N-CA 122.711 2.274 . . . . 22.87 111.053 172.792 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.8 Cg_endo -60.6 100.08 0.15 Allowed 'Trans proline' 0 C--O 1.233 0.275 0 C-N-CA 122.653 2.235 . . . . 21.43 111.669 177.419 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' GLN . . . . . 0.425 ' HG3' ' O ' ' A' ' 3' ' ' PRO . 78.1 mt-30 -109.22 147.5 32.46 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.236 -0.438 . . . . 20.6 110.865 -176.713 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 49.6 mmtm 56.36 37.72 29.08 Favored 'General case' 0 C--O 1.232 0.162 0 CA-C-N 115.785 -0.643 . . . . 18.97 110.77 179.461 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.496 ' HB ' ' HD3' ' A' ' 8' ' ' PRO . 40.6 mm -90.17 -58.48 0.25 Allowed Pre-proline 0 CA--C 1.536 0.408 0 CA-C-N 115.798 -0.637 . . . . 16.36 112.225 -177.809 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.496 ' HD3' ' HB ' ' A' ' 7' ' ' ILE . 74.2 Cg_endo -73.4 90.93 0.88 Allowed 'Trans proline' 0 C--N 1.352 0.732 0 C-N-CA 121.914 1.743 . . . . 15.48 113.087 -173.663 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 26.3 t -80.82 77.29 7.69 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 109.171 -0.678 . . . . 13.76 109.171 174.452 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 29.1 m -66.05 144.02 15.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 115.762 -0.654 . . . . 11.94 111.373 -175.722 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.413 ' HG2' ' H ' ' A' ' 13' ' ' PHE . 43.9 ttm180 -94.23 123.8 57.76 Favored Pre-proline 0 C--N 1.315 -0.903 0 CA-C-N 115.493 -0.776 . . . . 12.04 109.499 178.497 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 70.9 Cg_exo -50.06 -30.07 23.78 Favored 'Trans proline' 0 C--N 1.346 0.44 0 C-N-CA 123.343 2.695 . . . . 8.79 112.236 177.797 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.413 ' H ' ' HG2' ' A' ' 11' ' ' ARG . 30.1 t80 55.0 72.13 0.49 Allowed 'General case' 0 C--O 1.237 0.439 0 CA-C-O 121.633 0.73 . . . . 9.33 110.214 173.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 91.5 mttt -78.45 60.41 2.61 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.094 -0.957 . . . . 8.26 110.499 -176.862 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 27.4 pt20 -64.32 135.52 56.27 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.447 -0.797 . . . . 6.53 110.215 178.316 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 41.3 ttm180 -75.5 122.43 23.84 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-N 115.791 -0.64 . . . . 6.69 109.949 179.782 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 55.8 mttp -98.16 124.01 42.51 Favored 'General case' 0 C--N 1.319 -0.734 0 N-CA-C 109.174 -0.676 . . . . 3.96 109.174 -179.29 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.461 ' O ' ' HG2' ' A' ' 22' ' ' ARG . 92.0 p -87.18 178.08 6.99 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.892 -0.594 . . . . 0.97 111.461 -172.091 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 32.2 tp -59.89 -47.98 83.54 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.446 0.641 . . . . 1.11 109.55 177.171 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -61.45 -39.79 92.14 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.056 -0.974 . . . . 0.94 111.62 178.769 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.461 HD12 ' H ' ' A' ' 18' ' ' SER . 78.0 mt -66.04 -35.62 75.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 C-N-CA 120.651 -0.42 . . . . 1.64 110.567 177.769 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.461 ' HG2' ' O ' ' A' ' 18' ' ' SER . 36.3 mmt180 -66.5 -38.85 88.15 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 109.459 -0.571 . . . . 2.59 109.459 178.674 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 28.8 mt-30 -60.33 -32.33 71.14 Favored 'General case' 0 N--CA 1.451 -0.38 0 CA-C-N 115.188 -0.914 . . . . 2.16 110.466 175.374 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 13.6 tp10 -75.02 -47.17 30.4 Favored 'General case' 0 C--N 1.334 -0.107 0 CA-C-O 120.521 0.201 . . . . 2.83 110.986 178.346 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.403 ' O ' HG13 ' A' ' 29' ' ' ILE . 48.1 mt-10 -57.67 -48.29 79.91 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.85 0.357 . . . . 2.3 110.175 179.024 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -66.32 -36.93 78.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 116.068 -0.514 . . . . 1.21 110.697 179.533 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -58.69 -45.64 89.03 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.947 -0.569 . . . . 0.59 110.503 176.563 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -68.61 -45.65 65.71 Favored Glycine 0 N--CA 1.449 -0.493 0 C-N-CA 120.925 -0.655 . . . . 0.65 112.216 178.376 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.403 HG13 ' O ' ' A' ' 25' ' ' GLU . 94.2 mt -60.98 -49.98 82.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-O 120.479 0.181 . . . . 0.58 111.445 -179.7 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 29.5 mtp180 -69.24 -24.63 64.02 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.502 0.191 . . . . 3.31 111.479 -177.431 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -79.69 -43.91 21.82 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.859 0.361 . . . . 0.91 110.927 177.868 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 57.6 mtpt -78.19 -41.47 34.46 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.204 -0.453 . . . . 3.0 111.442 -177.275 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 57.4 m-85 -130.84 80.56 69.41 Favored Pre-proline 0 C--N 1.325 -0.482 0 CA-C-N 116.525 -0.307 . . . . 1.49 111.385 -175.11 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 33.8 Cg_endo -66.37 -20.92 54.65 Favored 'Trans proline' 0 C--N 1.344 0.308 0 C-N-CA 122.41 2.074 . . . . 0.74 112.034 174.425 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 15.9 m120 -82.32 -14.93 54.57 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.499 -0.773 . . . . 2.16 111.051 178.734 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 39.2 mmtm -103.89 154.36 19.71 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.23 -0.441 . . . . 2.03 110.103 178.948 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 62.9 mt -120.29 129.01 25.54 Favored Pre-proline 0 C--N 1.318 -0.797 0 CA-C-N 116.216 -0.447 . . . . 0.58 110.371 178.009 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.434 ' HB2' ' CD1' ' A' ' 114' ' ' PHE . 69.4 Cg_endo -76.91 102.19 1.59 Allowed 'Trans proline' 0 C--O 1.237 0.468 0 C-N-CA 122.611 2.208 . . . . 0.53 112.239 178.165 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 49.0 t -108.94 132.42 57.02 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 CA-C-N 115.705 -0.679 . . . . 1.39 110.044 179.705 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 45.7 t -112.68 108.17 24.84 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 N-CA-C 109.667 -0.494 . . . . 0.4 109.667 177.21 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 44.5 t -101.61 121.58 52.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-N 116.163 -0.471 . . . . 1.03 110.161 -177.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.507 ' O ' ' HA ' ' A' ' 118' ' ' THR . 42.1 mt-10 -123.04 150.07 43.57 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.983 -0.553 . . . . 2.43 110.839 -175.946 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 7.9 ptm180 -78.48 136.61 37.63 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 109.019 -0.734 . . . . 2.32 109.019 174.806 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' TYR . . . . . 0.435 ' CD2' ' HB3' ' A' ' 46' ' ' ARG . 2.7 t80 -87.89 117.58 68.64 Favored Pre-proline 0 C--N 1.319 -0.721 0 N-CA-C 110.296 -0.261 . . . . 1.74 110.296 -175.785 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 46.1 Cg_exo -58.01 -19.52 40.86 Favored 'Trans proline' 0 C--N 1.348 0.53 0 C-N-CA 123.496 2.797 . . . . 1.48 113.63 -178.298 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.435 ' HB3' ' CD2' ' A' ' 44' ' ' TYR . 27.5 tpt180 -70.91 -21.17 62.41 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.157 0.503 . . . . 4.16 110.309 176.553 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.445 ' HG2' ' CG ' ' A' ' 50' ' ' LEU . 14.7 tp10 -75.82 135.48 40.23 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.515 0.674 . . . . 2.56 110.499 178.602 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 16.0 p -67.14 -44.42 79.87 Favored 'General case' 0 N--CA 1.45 -0.473 0 CA-C-N 114.722 -1.126 . . . . 3.54 112.859 -178.116 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 48.6 t80 -161.31 68.24 0.31 Allowed 'General case' 0 CA--C 1.532 0.251 0 N-CA-C 112.491 0.552 . . . . 5.19 112.491 -175.674 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.445 ' CG ' ' HG2' ' A' ' 47' ' ' GLU . 20.1 mt -106.99 136.31 19.47 Favored Pre-proline 0 C--N 1.325 -0.488 0 N-CA-C 109.498 -0.556 . . . . 1.51 109.498 165.851 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' PRO . . . . . 0.452 ' HA ' ' HD3' ' A' ' 52' ' ' PRO . 55.5 Cg_endo -69.12 139.48 42.55 Favored 'Trans proline' 0 C--O 1.232 0.208 0 C-N-CA 123.024 2.483 . . . . 1.69 113.487 -174.184 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' PRO . . . . . 0.452 ' HD3' ' HA ' ' A' ' 51' ' ' PRO . 23.9 Cg_exo -64.62 169.89 10.67 Favored 'Trans proline' 0 C--N 1.348 0.506 0 C-N-CA 123.286 2.657 . . . . 1.17 111.744 173.668 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.444 HD23 ' HA ' ' A' ' 77' ' ' MET . 44.4 mt -107.19 155.99 19.32 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.242 0.544 . . . . 1.22 111.365 -177.611 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -68.99 -33.69 74.09 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.2 -0.909 . . . . 2.12 110.887 179.135 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 60.7 tttp -140.88 138.53 33.99 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 108.971 -0.752 . . . . 2.59 108.971 177.912 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 4.0 m -91.83 -33.79 14.82 Favored 'General case' 0 C--N 1.323 -0.567 0 O-C-N 123.179 0.299 . . . . 1.14 111.506 -174.197 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 54.4 mtpt -92.59 123.28 35.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.79 0.329 . . . . 2.14 110.609 179.658 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 89.8 m-85 -117.7 127.43 53.92 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 116.265 -0.425 . . . . 1.64 110.759 177.011 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 10.4 mp -106.13 102.56 11.97 Favored 'General case' 0 C--N 1.322 -0.587 0 N-CA-C 108.859 -0.793 . . . . 2.22 108.859 173.322 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 18.6 m -119.77 154.75 55.15 Favored Pre-proline 0 C--N 1.322 -0.607 0 CA-C-N 116.016 -0.538 . . . . 0.59 111.192 -173.48 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 38.5 Cg_exo -60.91 141.58 95.04 Favored 'Trans proline' 0 C--N 1.344 0.294 0 C-N-CA 122.879 2.386 . . . . 0.71 112.047 178.813 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 28.7 pt20 -70.06 -13.78 62.37 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.208 -0.451 . . . . 1.34 111.292 -178.572 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 30.1 mm-40 -87.58 -5.97 58.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.107 -0.497 . . . . 3.07 110.94 177.154 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 14.8 tp -73.41 131.86 42.33 Favored 'General case' 0 N--CA 1.449 -0.493 0 CA-C-O 121.093 0.473 . . . . 1.44 110.023 -177.264 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 70.3 p -82.43 155.6 24.57 Favored 'General case' 0 C--N 1.316 -0.891 0 CA-C-N 115.719 -0.673 . . . . 0.68 109.825 176.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' MET . . . . . 0.479 ' CE ' ' HG ' ' A' ' 87' ' ' LEU . 14.5 tpt -64.28 -25.27 67.98 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.368 -0.378 . . . . 1.39 110.51 176.811 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 94.1 m -57.91 -50.27 73.9 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-O 121.363 0.602 . . . . 1.33 110.153 173.949 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' GLN . . . . . 0.427 ' O ' HG13 ' A' ' 72' ' ' ILE . 48.6 mt-30 -68.49 -37.39 80.06 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.664 -0.698 . . . . 2.03 110.791 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 69' ' ' PHE . . . . . 0.439 ' O ' HG13 ' A' ' 73' ' ' ILE . 34.1 t80 -69.85 -40.74 75.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.904 -0.589 . . . . 1.33 110.464 -176.28 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 8.2 tt -56.42 -44.42 80.34 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.898 -0.592 . . . . 1.43 110.088 175.874 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 29.6 t -58.23 -41.86 85.07 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.621 -0.718 . . . . 1.5 110.27 175.859 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.475 ' O ' ' HG2' ' A' ' 76' ' ' ARG . 75.3 mt -64.26 -49.28 81.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.193 -0.458 . . . . 0.46 110.612 178.593 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.439 HG13 ' O ' ' A' ' 69' ' ' PHE . 75.0 mt -54.77 -46.62 74.57 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-O 120.894 0.378 . . . . 1.08 110.611 -179.837 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 74' ' ' ARG . . . . . 0.429 HH11 ' HD3' ' A' ' 74' ' ' ARG . 28.4 ttt180 -64.89 -34.06 77.51 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.837 -0.62 . . . . 3.12 110.389 -178.912 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 29.7 t -78.49 -22.58 47.24 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.293 -0.412 . . . . 1.33 110.961 -179.063 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' ARG . . . . . 0.475 ' HG2' ' O ' ' A' ' 72' ' ' ILE . 15.1 mmm180 -91.03 2.95 55.92 Favored 'General case' 0 C--O 1.235 0.335 0 CA-C-O 120.9 0.381 . . . . 3.11 110.617 -179.46 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 77' ' ' MET . . . . . 0.444 ' HA ' HD23 ' A' ' 53' ' ' LEU . 56.9 mtt -68.9 134.64 49.88 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.622 -0.717 . . . . 1.28 110.153 175.245 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 63.8 t -61.0 -31.14 49.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 115.355 -0.839 . . . . 1.66 110.873 178.943 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 13.7 tp -108.58 119.99 41.12 Favored 'General case' 0 C--N 1.32 -0.678 0 N-CA-C 108.747 -0.835 . . . . 2.29 108.747 175.218 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 90.3 mtt180 -85.66 143.56 28.33 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 111.989 0.366 . . . . 4.54 111.989 -168.706 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . 54.29 63.76 2.05 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-N 115.539 -0.755 . . . . 2.91 112.0 176.931 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 4.7 p -103.95 51.48 0.78 Allowed 'General case' 0 C--N 1.315 -0.893 0 CA-C-N 115.403 -0.817 . . . . 4.3 111.184 -179.869 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 60.65 -164.28 0.23 Allowed 'General case' 0 C--O 1.235 0.335 0 CA-C-N 115.654 -0.703 . . . . 3.64 111.204 -178.301 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' ALA . . . . . 0.439 ' HB3' ' HB3' ' A' ' 123' ' ' GLU . . . -95.12 148.81 21.97 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.774 0.321 . . . . 1.27 110.8 179.297 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 85' ' ' PHE . . . . . 0.402 ' HD2' ' HB2' ' A' ' 119' ' ' TYR . 6.0 p90 -128.22 152.05 48.53 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.84 -0.618 . . . . 1.38 110.145 -176.003 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 76.2 m-85 -105.41 148.9 26.63 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.959 0.409 . . . . 3.3 110.37 -178.638 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.479 ' HG ' ' CE ' ' A' ' 66' ' ' MET . 4.1 mm? -100.07 140.37 34.39 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.094 -0.503 . . . . 1.56 110.931 -175.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 91.9 mt -127.84 105.39 8.4 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.848 -0.615 . . . . 1.54 109.697 175.158 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.469 ' HB ' ' HB3' ' A' ' 93' ' ' SER . 11.4 t -103.74 123.93 57.72 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.72 0 N-CA-C 109.581 -0.526 . . . . 1.31 109.581 178.005 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 11.5 m120 57.22 29.93 17.53 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-N 115.86 -0.609 . . . . 2.22 110.694 -174.945 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 82.4 m-20 59.7 18.91 7.62 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-N 115.394 -0.821 . . . . 2.53 112.344 178.662 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 64.4 tttp -135.51 -59.29 0.77 Allowed 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 120.68 -0.408 . . . . 3.95 111.83 -176.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 93' ' ' SER . . . . . 0.469 ' HB3' ' HB ' ' A' ' 89' ' ' VAL . 9.6 t -69.06 131.52 45.16 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.887 0.375 . . . . 2.32 110.43 -175.286 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -86.6 -168.15 2.14 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.695 -0.684 . . . . 2.04 110.352 179.734 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 2.9 p -72.75 98.72 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-O 121.683 0.754 . . . . 4.29 111.394 -179.395 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 22.6 t -94.99 89.03 5.44 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 109.307 -0.627 . . . . 1.9 109.307 174.45 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 25.3 ptt? -70.87 -20.93 62.47 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.931 -0.577 . . . . 2.85 111.779 -174.904 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 13.4 m -85.02 -11.57 55.1 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.986 0.422 . . . . 1.6 110.719 -176.943 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -84.95 144.28 28.43 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.083 -0.508 . . . . 0.51 110.504 -178.608 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 100' ' ' THR . . . . . 0.414 ' OG1' ' HG3' ' A' ' 103' ' ' GLU . 48.6 p -85.47 160.96 19.59 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 116.305 -0.407 . . . . 0.47 110.432 177.049 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 32.0 mmt -56.48 -36.76 69.47 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.843 0.354 . . . . 1.18 110.418 176.524 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -57.92 -51.18 70.71 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.786 -0.643 . . . . 0.39 111.19 179.158 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 103' ' ' GLU . . . . . 0.414 ' HG3' ' OG1' ' A' ' 100' ' ' THR . 32.5 mt-10 -60.96 -48.37 82.13 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.3 -0.409 . . . . 0.53 111.164 179.75 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 43.1 mm -58.57 -48.03 86.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 115.652 -0.704 . . . . 0.45 110.855 -179.65 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 59.4 t80 -62.17 -43.42 98.86 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.96 0.409 . . . . 1.56 110.678 178.865 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 52.0 ttp180 -56.32 -43.93 79.44 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.664 -0.698 . . . . 4.23 111.571 -178.044 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -90.17 -36.73 14.63 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 112.656 0.613 . . . . 1.77 112.656 -174.08 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 79.1 m-85 -112.9 16.35 19.47 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 113.066 0.765 . . . . 1.36 113.066 -168.574 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 14.2 ptmm? -64.26 141.99 58.57 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.035 0.445 . . . . 1.82 110.74 175.894 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -82.7 177.36 8.72 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.947 -0.57 . . . . 1.35 109.624 178.551 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 7.7 tp10 -68.59 -32.04 71.66 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 121.024 0.44 . . . . 2.97 110.432 -178.004 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 21.3 p30 -75.57 -12.25 60.18 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.216 -0.447 . . . . 0.77 111.453 -178.347 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 106.3 -6.42 39.34 Favored Glycine 0 N--CA 1.447 -0.587 0 C-N-CA 120.464 -0.875 . . . . 0.47 113.236 175.312 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 114' ' ' PHE . . . . . 0.434 ' CD1' ' HB2' ' A' ' 38' ' ' PRO . 80.1 m-85 -94.42 157.84 15.83 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 117.011 0.406 . . . . 1.35 110.352 177.653 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 5.9 p -109.13 112.88 42.44 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.699 0 CA-C-O 121.38 0.61 . . . . 1.06 109.69 172.437 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 116' ' ' TYR . . . . . . . . . . . . . 94.5 m-85 -94.69 114.49 26.43 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.742 -0.663 . . . . 1.31 110.837 -175.705 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 117' ' ' MET . . . . . . . . . . . . . 82.9 mtp -118.68 119.76 35.4 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 115.602 -0.726 . . . . 1.19 110.11 -178.315 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 118' ' ' THR . . . . . 0.507 ' HA ' ' O ' ' A' ' 42' ' ' GLU . 3.9 p -102.19 150.7 23.02 Favored 'General case' 0 C--N 1.315 -0.932 0 CA-C-N 115.905 -0.588 . . . . 0.92 110.149 178.189 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 119' ' ' TYR . . . . . 0.402 ' HB2' ' HD2' ' A' ' 85' ' ' PHE . 8.4 p90 -117.71 143.68 45.98 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-O 121.142 0.496 . . . . 1.2 110.56 174.839 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -154.68 157.0 37.45 Favored 'General case' 0 N--CA 1.447 -0.624 0 CA-C-N 115.394 -0.821 . . . . 0.86 110.093 -178.339 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 49.9 m 70.48 139.09 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.063 0.852 . . . . 2.69 111.479 178.279 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 6.4 pt20 -124.56 142.52 51.28 Favored 'General case' 0 C--N 1.316 -0.876 0 CA-C-N 115.134 -0.939 . . . . 4.22 110.049 -178.666 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 123' ' ' GLU . . . . . 0.439 ' HB3' ' HB3' ' A' ' 84' ' ' ALA . 26.6 tt0 -83.95 76.25 10.06 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 116.085 -0.507 . . . . 6.07 110.35 -176.574 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 7.8 p -76.62 66.43 2.59 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.502 -0.772 . . . . 6.51 110.698 178.262 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 53.3 t80 -130.36 -56.85 1.08 Allowed 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.638 -0.71 . . . . 8.27 109.67 -179.059 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.183 0 CA-C-O 118.432 -1.205 . . . . 10.03 111.327 179.15 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.642 0 N-CA-C 111.68 -0.568 . . . . 29.54 111.68 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 16.7 t -156.92 122.97 4.85 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 109.904 -0.406 . . . . 29.85 109.904 -179.872 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.4 ptt? -75.14 144.79 79.51 Favored Pre-proline 0 C--N 1.327 -0.403 0 CA-C-N 116.154 -0.475 . . . . 27.04 110.076 178.335 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 2' ' ' PRO . . . . . 0.457 ' HA ' ' HD3' ' A' ' 3' ' ' PRO . 18.9 Cg_endo -59.27 128.56 27.95 Favored 'Trans proline' 0 C--N 1.345 0.352 0 C-N-CA 122.546 2.164 . . . . 24.48 111.513 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 3' ' ' PRO . . . . . 0.457 ' HD3' ' HA ' ' A' ' 2' ' ' PRO . 15.3 Cg_exo -68.13 123.53 10.73 Favored 'Trans proline' 0 C--O 1.235 0.334 0 C-N-CA 122.669 2.246 . . . . 22.87 112.492 -179.107 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 15.0 Cg_exo -68.67 100.38 0.69 Allowed 'Trans proline' 0 N--CA 1.461 -0.423 0 C-N-CA 122.651 2.234 . . . . 21.43 110.94 173.44 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 25.4 pt20 -68.48 120.12 14.04 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.333 0.587 . . . . 20.6 111.505 -176.052 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -140.04 71.75 1.38 Allowed 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.418 -0.81 . . . . 18.97 109.566 176.476 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.472 ' N ' ' HD2' ' A' ' 8' ' ' PRO . 37.4 mm -54.67 -52.99 65.36 Favored Pre-proline 0 CA--C 1.537 0.465 0 CA-C-N 114.945 -1.025 . . . . 16.36 112.819 -171.039 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.472 ' HD2' ' N ' ' A' ' 7' ' ' ILE . 12.3 Cg_endo -56.17 -57.89 1.28 Allowed 'Trans proline' 0 C--N 1.354 0.825 0 C-N-CA 121.993 1.796 . . . . 15.48 112.215 178.323 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 25.3 t -175.24 -58.23 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 109.11 -0.7 . . . . 13.76 109.11 177.648 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 30.5 m -140.46 167.37 18.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 115.621 -0.718 . . . . 11.94 109.76 177.382 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.412 ' HD3' ' CZ ' ' A' ' 13' ' ' PHE . 57.1 ttt180 -138.77 129.16 14.94 Favored Pre-proline 0 C--N 1.321 -0.635 0 N-CA-C 110.03 -0.359 . . . . 12.04 110.03 177.379 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 8.1 Cg_exo -71.56 107.89 2.27 Favored 'Trans proline' 0 C--O 1.235 0.364 0 C-N-CA 122.68 2.254 . . . . 8.79 112.26 179.446 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.412 ' CZ ' ' HD3' ' A' ' 11' ' ' ARG . 86.5 m-85 -105.55 -83.74 0.51 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.928 0.394 . . . . 9.33 110.686 177.2 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 10.1 mtmp? -139.78 44.79 1.93 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.717 -0.674 . . . . 8.26 109.656 179.822 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 75.8 mt-30 -85.55 44.91 1.14 Allowed 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.32 -0.4 . . . . 6.53 111.35 -174.694 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 81.0 mtt180 71.32 -61.21 0.49 Allowed 'General case' 0 N--CA 1.464 0.275 0 O-C-N 123.835 0.709 . . . . 6.69 111.671 176.907 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.547 ' O ' ' HD2' ' A' ' 17' ' ' LYS . 0.0 OUTLIER -141.58 124.38 16.09 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.191 0.52 . . . . 3.96 110.967 -179.796 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.695 ' O ' ' HG3' ' A' ' 22' ' ' ARG . 93.2 p -75.84 169.48 18.06 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.971 -0.559 . . . . 0.97 110.121 179.291 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 38.5 tp -57.44 -47.53 81.55 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.527 0.679 . . . . 1.11 109.89 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -57.06 -45.36 83.31 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 114.738 -1.119 . . . . 0.94 111.81 178.226 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.437 HG12 ' OG ' ' A' ' 18' ' ' SER . 48.4 mm -65.29 -33.92 66.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 C-N-CA 120.358 -0.537 . . . . 1.64 110.554 178.694 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.695 ' HG3' ' O ' ' A' ' 18' ' ' SER . 90.9 mtt180 -62.38 -41.45 98.65 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 109.709 -0.478 . . . . 2.59 109.709 -179.203 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 37.3 tp60 -60.09 -44.16 95.02 Favored 'General case' 0 N--CA 1.448 -0.567 0 CA-C-N 115.334 -0.848 . . . . 2.16 110.065 -179.227 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.432 ' HG2' ' HA ' ' A' ' 21' ' ' ILE . 11.5 pt-20 -76.85 -28.78 55.59 Favored 'General case' 0 C--O 1.233 0.205 0 C-N-CA 120.705 -0.398 . . . . 2.83 110.915 -178.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.418 ' O ' HG13 ' A' ' 29' ' ' ILE . 29.3 tt0 -66.61 -47.68 71.89 Favored 'General case' 0 N--CA 1.451 -0.385 0 N-CA-C 109.858 -0.423 . . . . 2.3 109.858 179.824 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.629 HG23 ' O ' ' A' ' 22' ' ' ARG . 22.3 t -61.87 -40.52 87.38 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.209 -0.451 . . . . 1.21 110.109 177.369 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -57.34 -46.41 83.32 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.148 -0.478 . . . . 0.59 110.812 178.868 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -67.31 -48.18 59.76 Favored Glycine 0 N--CA 1.453 -0.199 0 CA-C-N 115.856 -0.611 . . . . 0.65 112.45 178.508 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.418 HG13 ' O ' ' A' ' 25' ' ' GLU . 87.1 mt -58.25 -44.67 88.51 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-O 120.881 0.372 . . . . 0.58 110.663 179.822 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 72.5 ttt180 -67.43 -30.65 70.44 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.996 -0.547 . . . . 3.31 110.92 -177.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -76.47 -36.59 57.78 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.2 -0.454 . . . . 0.91 110.832 179.296 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 27.8 tptp -80.31 -35.06 36.27 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.217 -0.447 . . . . 3.0 110.86 179.806 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.466 ' HB3' ' HB2' ' A' ' 36' ' ' LYS . 43.9 m-85 -125.61 86.15 57.79 Favored Pre-proline 0 C--N 1.323 -0.545 0 CA-C-N 116.292 -0.413 . . . . 1.49 110.702 -178.496 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 44.8 Cg_endo -69.64 -24.54 30.09 Favored 'Trans proline' 0 CA--C 1.529 0.245 0 C-N-CA 122.594 2.196 . . . . 0.74 112.901 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 16.6 m120 -99.93 -5.1 28.84 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.176 -0.466 . . . . 2.16 111.475 -177.791 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.466 ' HB2' ' HB3' ' A' ' 33' ' ' PHE . 45.9 mmtm -108.44 153.43 23.31 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-O 121.003 0.43 . . . . 2.03 110.756 -178.737 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 93.9 mt -123.21 128.02 25.43 Favored Pre-proline 0 C--N 1.322 -0.612 0 CA-C-N 115.72 -0.673 . . . . 0.58 110.525 -179.719 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo -80.05 105.11 1.74 Allowed 'Trans proline' 0 C--O 1.238 0.513 0 C-N-CA 122.736 2.291 . . . . 0.53 112.667 178.424 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 34.3 m -107.7 142.69 19.77 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 CA-C-N 115.966 -0.561 . . . . 1.39 110.422 178.188 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 45.8 t -118.03 122.74 70.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-N 116.049 -0.523 . . . . 0.4 109.833 179.709 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 61.3 t -108.82 125.12 65.83 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-O 121.204 0.526 . . . . 1.03 111.06 -177.069 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.47 ' O ' ' HA ' ' A' ' 118' ' ' THR . 8.6 tp10 -112.03 139.39 47.58 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.514 -0.766 . . . . 2.43 109.681 178.769 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.446 ' HD2' ' O ' ' A' ' 50' ' ' LEU . 16.5 ptt180 -82.29 140.66 33.47 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 109.233 -0.654 . . . . 2.32 109.233 176.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 1.8 t80 -60.81 115.51 14.21 Favored Pre-proline 0 C--N 1.325 -0.457 0 CA-C-N 116.338 -0.392 . . . . 1.74 110.341 -177.316 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 35.6 Cg_endo -65.19 -20.17 62.7 Favored 'Trans proline' 0 C--N 1.344 0.322 0 C-N-CA 122.931 2.421 . . . . 1.48 112.796 -173.618 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 21.4 mmt180 -83.57 -18.63 37.65 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.044 0.45 . . . . 4.16 110.087 -179.793 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 36.2 mm-40 -89.04 153.07 21.3 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.92 -0.582 . . . . 2.56 111.256 -179.811 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 11.6 m -120.06 -15.11 8.79 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 115.506 -0.77 . . . . 3.54 110.293 177.641 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 30.2 t80 -65.8 -37.35 86.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.804 -0.634 . . . . 5.19 111.635 -179.112 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.446 ' O ' ' HD2' ' A' ' 43' ' ' ARG . 93.0 mt -102.62 110.84 64.0 Favored Pre-proline 0 C--N 1.325 -0.468 0 CA-C-O 121.13 0.49 . . . . 1.51 111.765 -174.68 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -78.26 164.57 26.6 Favored 'Trans proline' 0 C--O 1.234 0.277 0 C-N-CA 123.537 2.825 . . . . 1.69 111.368 171.892 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 17.7 Cg_endo -59.66 139.9 91.03 Favored 'Trans proline' 0 C--N 1.344 0.293 0 C-N-CA 122.444 2.096 . . . . 1.17 112.097 177.448 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 55.2 mt -81.68 171.72 14.26 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.905 -0.588 . . . . 1.22 110.788 -178.654 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -70.48 -11.23 60.79 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.044 -0.525 . . . . 2.12 111.049 177.481 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 67.9 mttm -140.5 137.19 33.65 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.112 -0.495 . . . . 2.59 110.489 178.322 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 24.2 m -98.62 -28.42 13.56 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 121.555 0.693 . . . . 1.14 109.228 172.861 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 55.6 mtpt -115.5 132.05 56.74 Favored 'General case' 0 N--CA 1.45 -0.446 0 CA-C-N 115.119 -0.946 . . . . 2.14 110.025 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 47.6 m-85 -119.26 145.01 46.45 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 116.182 -0.463 . . . . 1.64 110.007 -179.419 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 24.3 tp -106.98 104.26 13.89 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 109.316 -0.624 . . . . 2.22 109.316 176.124 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.433 ' HA ' ' HD3' ' A' ' 61' ' ' PRO . 18.4 m -117.08 137.45 23.9 Favored Pre-proline 0 C--N 1.321 -0.641 0 CA-C-N 116.358 -0.383 . . . . 0.59 111.472 -174.798 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' PRO . . . . . 0.433 ' HD3' ' HA ' ' A' ' 60' ' ' VAL . 23.8 Cg_exo -65.25 164.96 23.6 Favored 'Trans proline' 0 C--N 1.343 0.275 0 C-N-CA 122.684 2.256 . . . . 0.71 112.134 174.216 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 95.3 mt-30 -66.77 -25.76 66.64 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.934 -0.576 . . . . 1.34 110.927 -179.753 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 14.1 mm-40 -82.85 -3.33 56.69 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.879 -0.601 . . . . 3.07 111.076 -179.196 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.436 HD22 ' HA ' ' A' ' 64' ' ' LEU . 0.7 OUTLIER -80.72 117.06 21.07 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 109.529 -0.545 . . . . 1.44 109.529 -176.139 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.498 ' HA ' ' HA ' ' A' ' 100' ' ' THR . 48.7 p -89.67 171.22 9.82 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.437 -0.347 . . . . 0.68 111.83 -177.69 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' MET . . . . . 0.728 ' SD ' ' HB ' ' A' ' 95' ' ' VAL . 89.2 mtp -62.07 -41.07 97.78 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.676 -0.238 . . . . 1.39 111.005 177.918 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 7.6 t -66.86 -37.55 84.64 Favored 'General case' 0 CA--C 1.533 0.315 0 CA-C-O 120.733 0.301 . . . . 1.33 110.878 179.654 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 22.7 mm-40 -65.88 -38.79 89.72 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.959 0.409 . . . . 2.03 110.074 175.015 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 38.3 t80 -69.61 -33.52 72.78 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.799 -0.637 . . . . 1.33 110.211 179.762 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 13.2 tp -56.1 -44.09 78.72 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.489 -0.778 . . . . 1.43 109.674 176.599 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 23.3 t -67.23 -36.75 82.33 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.357 -0.838 . . . . 1.5 110.462 177.219 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 64.7 mt -63.12 -45.12 99.45 Favored 'Isoleucine or valine' 0 C--O 1.233 0.199 0 CA-C-N 116.462 -0.335 . . . . 0.46 110.707 178.279 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.453 ' O ' ' HG3' ' A' ' 77' ' ' MET . 65.9 mt -59.9 -43.12 91.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.309 -0.405 . . . . 1.08 110.082 176.84 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 63.8 mtt180 -59.52 -35.73 74.74 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.186 -0.461 . . . . 3.12 111.108 176.177 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 16.5 t -69.63 -36.39 76.08 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.197 -0.456 . . . . 1.33 110.387 -179.672 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 28.0 mmt180 -91.72 3.85 54.13 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.401 -0.363 . . . . 3.11 111.349 -178.943 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' MET . . . . . 0.453 ' HG3' ' O ' ' A' ' 73' ' ' ILE . 32.8 mtt -72.34 145.33 47.85 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.236 -0.438 . . . . 1.28 110.587 175.362 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 33.7 m -87.6 -8.32 10.98 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 CA-C-N 115.734 -0.667 . . . . 1.66 110.004 174.132 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 91.0 mt -102.89 162.28 13.06 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.532 -0.758 . . . . 2.29 110.404 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 9.9 ptp180 -67.42 135.13 52.67 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.015 -0.539 . . . . 4.54 109.961 175.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -84.34 44.87 1.06 Allowed 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.215 0.531 . . . . 2.91 111.608 -177.122 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 1.2 m -92.08 -2.82 56.43 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.791 -0.64 . . . . 4.3 110.379 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -124.95 174.01 8.27 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.592 -0.731 . . . . 3.64 110.51 -176.308 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -118.03 163.25 16.87 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.202 -0.454 . . . . 1.27 111.217 -177.108 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' PHE . . . . . 0.437 ' HA ' ' O ' ' A' ' 121' ' ' SER . 19.9 p90 -154.52 151.66 29.16 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.375 -0.83 . . . . 1.38 109.141 -176.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 86' ' ' TYR . . . . . 0.419 ' CD1' ' HA ' ' A' ' 122' ' ' GLN . 62.4 m-85 -106.81 136.98 45.71 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 120.83 0.348 . . . . 3.3 110.956 -177.101 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 40.2 tp -100.01 111.74 24.03 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.824 -0.625 . . . . 1.56 110.054 179.527 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -100.42 145.89 27.68 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.79 -0.641 . . . . 1.54 110.792 -177.077 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.432 HG11 ' CD1' ' A' ' 108' ' ' TYR . 57.4 t -103.03 117.62 48.72 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 N-CA-C 109.11 -0.7 . . . . 1.31 109.11 172.69 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 90' ' ' ASN . . . . . 0.453 ' O ' ' HG3' ' A' ' 92' ' ' LYS . 95.6 m-20 55.58 32.36 19.0 Favored 'General case' 0 N--CA 1.466 0.327 0 O-C-N 123.629 0.581 . . . . 2.22 110.786 -174.866 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 81.8 m-20 66.13 10.38 7.03 Favored 'General case' 0 N--CA 1.468 0.425 0 CA-C-N 115.045 -0.979 . . . . 2.53 112.274 177.401 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 92' ' ' LYS . . . . . 0.453 ' HG3' ' O ' ' A' ' 90' ' ' ASN . 54.2 mttp -125.8 -70.3 0.74 Allowed 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 112.261 0.467 . . . . 3.95 112.261 -174.119 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 23.0 t -73.59 136.82 43.99 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.05 -0.523 . . . . 2.32 112.278 -168.772 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 46.1 mt -109.7 117.18 33.23 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.277 -0.874 . . . . 2.04 109.478 172.529 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.728 ' HB ' ' SD ' ' A' ' 66' ' ' MET . 5.1 t -95.58 155.01 3.39 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.71 0 CA-C-O 120.845 0.355 . . . . 4.29 110.421 -176.498 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 14.6 m -58.82 130.54 47.44 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.754 -0.657 . . . . 1.9 110.882 179.165 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 97' ' ' MET . . . . . 0.4 ' HA ' ' HB2' ' A' ' 66' ' ' MET . 2.3 ppp? -64.86 -14.63 60.17 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.088 -0.505 . . . . 2.85 111.941 -176.45 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 2.7 p -90.8 -3.22 57.57 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.857 -0.611 . . . . 1.6 111.228 -178.857 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -78.35 141.5 38.37 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.033 -0.53 . . . . 0.51 110.758 -179.536 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 100' ' ' THR . . . . . 0.498 ' HA ' ' HA ' ' A' ' 65' ' ' THR . 73.4 p -84.07 152.39 24.39 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.678 -0.692 . . . . 0.47 110.284 179.529 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 20.5 mmt -61.79 -23.75 66.41 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.103 -0.499 . . . . 1.18 110.875 176.854 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 102' ' ' ALA . . . . . 0.444 ' O ' ' HG2' ' A' ' 106' ' ' ARG . . . -57.64 -51.67 68.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.029 0.443 . . . . 0.39 109.962 172.212 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 26.6 mt-10 -63.01 -43.3 99.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.783 -0.644 . . . . 0.53 110.309 176.434 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 104' ' ' ILE . . . . . 0.491 HG12 ' O ' ' A' ' 100' ' ' THR . 51.2 mm -57.44 -48.18 83.35 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 115.507 -0.77 . . . . 0.45 110.96 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 84.8 t80 -59.47 -49.63 77.05 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.423 -0.353 . . . . 1.56 111.064 179.477 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 106' ' ' ARG . . . . . 0.444 ' HG2' ' O ' ' A' ' 102' ' ' ALA . 27.3 mmm180 -58.38 -30.81 67.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 4.23 111.815 -176.402 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -98.11 -47.55 5.45 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 112.61 0.596 . . . . 1.77 112.61 -176.784 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 108' ' ' TYR . . . . . 0.432 ' CD1' HG11 ' A' ' 89' ' ' VAL . 52.8 m-85 -108.89 17.7 21.51 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 113.226 0.824 . . . . 1.36 113.226 -166.314 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 22.1 pttp -65.86 141.06 58.39 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 109.454 -0.573 . . . . 1.82 109.454 172.105 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -90.41 -172.04 3.3 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.565 -0.289 . . . . 1.35 110.618 -175.36 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -58.76 -42.21 88.34 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.03 0.443 . . . . 2.97 111.355 -176.017 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 4.0 p30 -80.64 -12.04 59.55 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.961 -0.563 . . . . 0.77 111.756 -176.282 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 108.64 -20.57 29.46 Favored Glycine 0 N--CA 1.449 -0.439 0 C-N-CA 120.528 -0.844 . . . . 0.47 113.113 176.872 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 56.5 m-85 -75.35 152.93 38.05 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.887 0.375 . . . . 1.35 110.462 179.616 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 43.5 t -95.89 108.62 21.38 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 N-CA-C 109.464 -0.569 . . . . 1.06 109.464 174.351 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 116' ' ' TYR . . . . . . . . . . . . . 96.2 m-85 -96.79 114.99 26.67 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.11 0.481 . . . . 1.31 111.038 -177.819 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 117' ' ' MET . . . . . . . . . . . . . 67.9 mtm -122.84 146.57 47.43 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.629 -0.714 . . . . 1.19 109.948 178.56 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 118' ' ' THR . . . . . 0.47 ' HA ' ' O ' ' A' ' 42' ' ' GLU . 53.3 m -123.0 134.36 54.32 Favored 'General case' 0 C--N 1.316 -0.865 0 N-CA-C 109.594 -0.521 . . . . 0.92 109.594 -178.109 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -117.73 141.47 48.37 Favored 'General case' 0 C--N 1.321 -0.641 0 C-N-CA 120.095 -0.642 . . . . 1.2 110.861 -176.718 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -135.42 169.33 17.66 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.35 -0.841 . . . . 0.86 110.273 -177.21 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 121' ' ' SER . . . . . 0.437 ' O ' ' HA ' ' A' ' 85' ' ' PHE . 2.6 m -62.19 -76.07 0.06 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 123.205 0.316 . . . . 2.69 111.347 -176.843 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 122' ' ' GLN . . . . . 0.419 ' HA ' ' CD1' ' A' ' 86' ' ' TYR . 0.2 OUTLIER -157.36 147.62 20.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.595 -0.275 . . . . 4.22 110.309 178.931 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -114.33 151.96 32.18 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 110.169 -0.308 . . . . 6.07 110.169 179.275 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 7.1 m 55.92 51.67 11.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.62 0.724 . . . . 6.51 110.737 177.897 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 63.3 t80 -120.5 -62.56 1.45 Allowed 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.681 -0.69 . . . . 8.27 109.974 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.983 0 CA-C-O 118.082 -1.399 . . . . 10.03 111.33 -179.702 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.672 0 N-CA-C 111.73 -0.548 . . . . 29.54 111.73 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 19.8 m 58.47 64.13 1.54 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.213 0.53 . . . . 29.85 110.487 -179.684 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 12.9 tmm? -77.96 118.45 72.23 Favored Pre-proline 0 C--N 1.325 -0.485 0 CA-C-N 115.674 -0.694 . . . . 27.04 109.541 -178.707 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 60.5 Cg_endo -76.79 128.14 9.92 Favored 'Trans proline' 0 N--CA 1.459 -0.515 0 C-N-CA 122.172 1.915 . . . . 24.48 112.315 -179.692 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 30.6 Cg_endo -65.08 126.32 16.24 Favored 'Trans proline' 0 N--CA 1.462 -0.374 0 C-N-CA 122.37 2.047 . . . . 22.87 111.555 178.85 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_exo -55.53 99.22 0.07 OUTLIER 'Trans proline' 0 C--N 1.346 0.404 0 C-N-CA 123.063 2.509 . . . . 21.43 112.733 -178.676 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 30.4 mm-40 54.86 63.02 2.27 Favored 'General case' 0 C--O 1.231 0.113 0 CA-C-N 115.392 -0.822 . . . . 20.6 111.743 178.164 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -72.26 126.21 29.24 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.285 -0.416 . . . . 18.97 109.95 177.76 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 36.2 pt -72.56 144.57 86.43 Favored Pre-proline 0 C--N 1.323 -0.562 0 CA-C-N 116.207 -0.451 . . . . 16.36 110.944 -179.733 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo -74.34 65.08 5.44 Favored 'Trans proline' 0 N--CA 1.464 -0.245 0 C-N-CA 122.727 2.285 . . . . 15.48 111.767 177.492 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 47.4 t -124.42 136.05 53.75 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.728 -0.669 . . . . 13.76 110.036 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 27.6 m -91.41 15.46 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-N 116.243 -0.435 . . . . 11.94 110.715 178.579 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 34.1 ttm180 -128.66 80.61 72.29 Favored Pre-proline 0 C--N 1.326 -0.413 0 CA-C-N 115.903 -0.59 . . . . 12.04 110.212 178.253 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 33.1 Cg_exo -60.78 -33.13 93.36 Favored 'Trans proline' 0 C--O 1.235 0.354 0 C-N-CA 122.686 2.257 . . . . 8.79 111.785 177.153 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 50.2 t80 53.59 66.79 1.13 Allowed 'General case' 0 C--O 1.233 0.217 0 CA-C-O 121.503 0.668 . . . . 9.33 110.85 179.475 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -128.32 42.54 3.3 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.636 -0.711 . . . . 8.26 109.542 178.187 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 64.8 tt0 -68.67 -38.24 80.22 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.321 -0.854 . . . . 6.53 110.029 178.647 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 15.7 ptm180 -81.74 148.61 28.85 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.939 -0.573 . . . . 6.69 110.324 177.907 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 66.8 mttm -121.21 156.77 31.71 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.014 -0.539 . . . . 3.96 110.134 179.792 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.618 ' O ' ' HG3' ' A' ' 22' ' ' ARG . 96.4 p -69.33 164.93 21.75 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.505 -0.316 . . . . 0.97 110.219 179.72 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 43.5 tp -57.19 -46.93 82.41 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.498 0.666 . . . . 1.11 110.093 -178.4 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -56.88 -48.28 78.52 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 114.895 -1.048 . . . . 0.94 112.11 176.811 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 71.2 mt -67.17 -29.58 46.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 C-N-CA 120.334 -0.546 . . . . 1.64 110.767 -179.719 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.618 ' HG3' ' O ' ' A' ' 18' ' ' SER . 75.7 mtt180 -65.51 -39.25 91.62 Favored 'General case' 0 CA--C 1.515 -0.396 0 N-CA-C 109.442 -0.577 . . . . 2.59 109.442 177.949 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' GLN . . . . . 0.411 ' OE1' ' HA ' ' A' ' 112' ' ' ASP . 46.0 tp60 -59.66 -38.61 81.92 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.497 -0.774 . . . . 2.16 109.623 176.408 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -74.9 -31.73 61.65 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.867 -0.606 . . . . 2.83 110.55 -179.834 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 30.8 tt0 -67.77 -48.31 66.72 Favored 'General case' 0 CA--C 1.514 -0.412 0 N-CA-C 109.588 -0.523 . . . . 2.3 109.588 179.573 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.596 HG23 ' O ' ' A' ' 22' ' ' ARG . 20.6 t -59.14 -38.77 76.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.004 -0.544 . . . . 1.21 109.77 174.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -58.4 -47.04 85.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.465 -0.789 . . . . 0.59 110.704 177.116 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -69.46 -46.0 57.67 Favored Glycine 0 N--CA 1.447 -0.578 0 C-N-CA 120.943 -0.646 . . . . 0.65 112.491 179.426 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 96.6 mt -61.5 -51.46 72.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 C-N-CA 122.216 0.206 . . . . 0.58 111.325 -178.075 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 80.4 ttt180 -67.56 -30.13 69.68 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.891 0.377 . . . . 3.31 111.18 -175.924 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -74.9 -25.6 59.05 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.9 0.381 . . . . 0.91 111.003 177.452 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 64.2 tttm -91.16 -36.24 14.08 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.173 -0.467 . . . . 3.0 110.563 -178.467 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 91.3 m-85 -129.56 83.12 65.72 Favored Pre-proline 0 C--N 1.325 -0.497 0 CA-C-N 116.052 -0.522 . . . . 1.49 110.496 178.608 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 31.9 Cg_endo -64.68 -25.94 61.27 Favored 'Trans proline' 0 C--O 1.234 0.32 0 C-N-CA 122.418 2.079 . . . . 0.74 112.512 -179.167 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 95.4 m-20 -86.01 -7.31 58.73 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.207 -0.451 . . . . 2.16 111.411 -177.957 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 61.7 mttp -119.83 146.47 45.69 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.279 0.562 . . . . 2.03 111.425 179.824 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 63.6 mt -116.68 129.18 25.47 Favored Pre-proline 0 C--N 1.32 -0.691 0 CA-C-N 115.319 -0.855 . . . . 0.58 109.787 -179.869 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 59.6 Cg_endo -74.28 110.66 3.14 Favored 'Trans proline' 0 N--CA 1.462 -0.343 0 C-N-CA 122.448 2.099 . . . . 0.53 112.523 179.192 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 7.1 p -108.37 137.15 41.46 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 CA-C-N 115.837 -0.619 . . . . 1.39 110.526 179.635 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.45 HG22 ' HG2' ' A' ' 57' ' ' LYS . 16.2 t -109.91 119.8 59.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 116.053 -0.521 . . . . 0.4 109.666 179.002 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 24.6 t -97.99 121.4 48.49 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.694 0 CA-C-O 121.073 0.464 . . . . 1.03 110.741 -178.137 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.426 ' O ' ' HA ' ' A' ' 118' ' ' THR . 9.5 tp10 -112.02 140.55 46.6 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.782 -0.645 . . . . 2.43 110.057 -178.547 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 53.4 mtp180 -76.81 127.9 33.61 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 109.355 -0.609 . . . . 2.32 109.355 178.954 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' TYR . . . . . 0.545 ' CB ' ' HB2' ' A' ' 120' ' ' ALA . 11.0 t80 -58.21 133.87 84.51 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-N 116.421 -0.354 . . . . 1.74 110.611 -176.035 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' PRO . . . . . 0.457 ' HD3' ' HA ' ' A' ' 44' ' ' TYR . 52.3 Cg_exo -56.89 -21.77 42.46 Favored 'Trans proline' 0 C--N 1.347 0.479 0 C-N-CA 123.493 2.795 . . . . 1.48 113.898 -177.374 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 30.1 mmm180 -95.12 -6.77 41.14 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.096 0.474 . . . . 4.16 110.803 179.415 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.478 ' CD ' ' HB2' ' A' ' 50' ' ' LEU . 11.6 tp10 -88.36 138.25 31.6 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.932 -0.576 . . . . 2.56 110.426 -179.345 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -141.04 -13.87 0.92 Allowed 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 112.972 0.73 . . . . 3.54 112.972 -177.211 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 85.7 m-85 -123.48 9.58 9.07 Favored 'General case' 0 C--N 1.329 -0.326 0 O-C-N 122.008 -0.433 . . . . 5.19 111.971 -174.906 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.478 ' HB2' ' CD ' ' A' ' 47' ' ' GLU . 2.1 tt -94.15 114.34 62.99 Favored Pre-proline 0 C--N 1.323 -0.573 0 N-CA-C 109.142 -0.688 . . . . 1.51 109.142 176.227 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' PRO . . . . . 0.444 ' HA ' ' HD3' ' A' ' 52' ' ' PRO . 84.7 Cg_exo -48.55 129.42 19.97 Favored 'Trans proline' 0 CA--C 1.531 0.361 0 C-N-CA 123.548 2.832 . . . . 1.69 113.322 -179.737 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' PRO . . . . . 0.444 ' HD3' ' HA ' ' A' ' 51' ' ' PRO . 32.5 Cg_exo -58.75 166.98 5.8 Favored 'Trans proline' 0 C--N 1.348 0.533 0 C-N-CA 123.188 2.592 . . . . 1.17 112.199 177.184 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 49.2 mt -97.74 158.57 15.44 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 116.39 -0.368 . . . . 1.22 111.1 -177.81 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -64.55 -37.4 87.42 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.216 -0.447 . . . . 2.12 110.475 179.585 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.501 ' HB2' ' CE1' ' A' ' 58' ' ' PHE . 75.4 mmtt -124.02 160.21 28.15 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.017 -0.538 . . . . 2.59 109.688 179.164 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 16.9 m -109.09 -31.29 7.67 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.159 0.505 . . . . 1.14 110.272 -179.541 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.45 ' HG2' HG22 ' A' ' 40' ' ' VAL . 94.4 mttt -117.91 112.05 19.82 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.739 -0.664 . . . . 2.14 110.073 179.528 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.501 ' CE1' ' HB2' ' A' ' 55' ' ' LYS . 97.8 m-85 -105.17 140.54 38.17 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-N 116.01 -0.541 . . . . 1.64 110.421 -178.329 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 6.7 mp -96.54 103.45 15.37 Favored 'General case' 0 C--N 1.319 -0.75 0 N-CA-C 108.421 -0.955 . . . . 2.22 108.421 173.078 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 21.4 m -111.15 138.31 21.21 Favored Pre-proline 0 C--N 1.321 -0.673 0 CA-C-N 115.999 -0.546 . . . . 0.59 111.384 -173.442 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 43.1 Cg_exo -57.49 141.73 95.15 Favored 'Trans proline' 0 N--CA 1.466 -0.147 0 C-N-CA 122.804 2.336 . . . . 0.71 111.998 177.193 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 4.5 pt20 -65.41 -19.71 66.06 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.142 -0.481 . . . . 1.34 110.505 177.928 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 43.9 tt0 -78.08 -15.68 58.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.375 -0.83 . . . . 3.07 110.827 177.601 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.434 HD21 HD12 ' A' ' 72' ' ' ILE . 17.1 tp -70.84 133.6 46.63 Favored 'General case' 0 N--CA 1.448 -0.542 0 CA-C-O 121.213 0.53 . . . . 1.44 110.353 -176.478 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.427 ' HA ' ' HA ' ' A' ' 100' ' ' THR . 76.0 p -90.2 162.4 15.26 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 115.554 -0.748 . . . . 0.68 110.958 177.758 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 57.7 mmm -56.25 -44.05 79.31 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.427 -0.352 . . . . 1.39 111.672 176.523 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 9.8 t -65.05 -37.09 86.46 Favored 'General case' 0 C--O 1.235 0.34 0 CA-C-N 116.444 -0.344 . . . . 1.33 111.32 -177.958 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' GLN . . . . . 0.422 ' O ' HG13 ' A' ' 72' ' ' ILE . 27.5 mm-40 -70.75 -34.86 72.3 Favored 'General case' 0 C--O 1.231 0.1 0 CA-C-O 120.894 0.378 . . . . 2.03 110.674 176.277 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 69' ' ' PHE . . . . . 0.407 ' CZ ' HD11 ' A' ' 73' ' ' ILE . 53.5 t80 -69.53 -36.93 76.86 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.204 0.526 . . . . 1.33 109.864 178.399 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 65.1 tp -55.84 -46.46 78.17 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.308 -0.86 . . . . 1.43 110.832 176.647 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 2.9 p -66.41 -32.34 73.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.469 -0.332 . . . . 1.5 111.146 177.06 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.442 ' O ' ' HD3' ' A' ' 76' ' ' ARG . 47.5 mt -63.26 -40.61 89.68 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-O 120.95 0.405 . . . . 0.46 110.385 175.906 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.407 HD11 ' CZ ' ' A' ' 69' ' ' PHE . 48.1 mm -58.53 -42.38 84.41 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 116.315 -0.402 . . . . 1.08 110.374 176.791 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 74' ' ' ARG . . . . . 0.482 ' HA ' ' HE3' ' A' ' 77' ' ' MET . 41.7 ttm180 -69.21 -35.49 76.26 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.895 -0.593 . . . . 3.12 111.559 -179.602 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 3.1 p -79.0 -32.13 45.03 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 111.857 0.317 . . . . 1.33 111.857 -177.942 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' ARG . . . . . 0.442 ' HD3' ' O ' ' A' ' 72' ' ' ILE . 11.5 mpt_? -91.19 3.64 54.3 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.051 0.453 . . . . 3.11 110.585 179.872 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 77' ' ' MET . . . . . 0.482 ' HE3' ' HA ' ' A' ' 74' ' ' ARG . 48.6 ttm -70.55 144.97 51.11 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.714 -0.676 . . . . 1.28 109.584 175.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 9.5 p -64.46 -17.31 20.96 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.375 0 CA-C-O 120.914 0.388 . . . . 1.66 111.267 -177.334 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.433 ' H ' ' HG2' ' A' ' 77' ' ' MET . 44.8 tp -122.98 133.91 54.35 Favored 'General case' 0 C--N 1.322 -0.587 0 N-CA-C 109.451 -0.574 . . . . 2.29 109.451 175.287 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 79.3 ttt180 -90.44 119.06 30.4 Favored 'General case' 0 C--N 1.32 -0.704 0 N-CA-C 109.625 -0.509 . . . . 4.54 109.625 178.002 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -170.54 143.91 2.31 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.349 -0.387 . . . . 2.91 110.599 -178.552 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 5.2 m -80.88 57.62 3.11 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.666 0.745 . . . . 4.3 109.84 176.664 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -77.1 142.32 39.82 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.354 -0.839 . . . . 3.64 110.28 -178.554 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -84.46 118.88 24.56 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 116.006 -0.543 . . . . 1.27 109.753 177.704 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' PHE . . . . . 0.442 ' CB ' ' HA ' ' A' ' 121' ' ' SER . 24.4 p90 -151.52 148.47 28.06 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.385 -0.37 . . . . 1.38 110.317 -179.345 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 96.9 m-85 -100.28 155.62 17.68 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 116.086 -0.506 . . . . 3.3 110.172 -178.546 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 25.2 tp -121.6 111.26 17.0 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 115.813 -0.631 . . . . 1.56 110.195 -177.738 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -88.85 138.4 31.45 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.311 -0.859 . . . . 1.54 110.116 -179.473 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.402 HG22 ' HE3' ' A' ' 117' ' ' MET . 24.2 t -102.95 121.26 53.9 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.904 0 N-CA-C 109.334 -0.617 . . . . 1.31 109.334 175.867 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 64.7 t30 57.72 30.24 18.62 Favored 'General case' 0 N--CA 1.466 0.343 0 O-C-N 123.909 0.755 . . . . 2.22 110.278 -175.486 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 5.5 t30 57.15 26.04 11.66 Favored 'General case' 0 N--CA 1.467 0.392 0 CA-C-N 115.317 -0.856 . . . . 2.53 110.378 -178.054 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 62.4 tttp -118.5 -70.13 0.81 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.177 -0.465 . . . . 3.95 111.99 -174.122 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 4.8 p -106.25 149.26 27.04 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 112.192 0.442 . . . . 2.32 112.192 -171.095 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 1.8 pp -135.04 23.79 3.55 Favored 'General case' 0 C--O 1.232 0.143 0 CA-C-O 121.172 0.511 . . . . 2.04 111.161 176.122 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 2.9 t -114.21 24.15 4.8 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.68 0 CA-C-O 121.808 0.814 . . . . 4.29 110.089 -177.148 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 9.6 m -105.49 88.8 2.93 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.803 -0.635 . . . . 1.9 109.594 176.925 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 4.6 mpp? -93.17 -33.2 14.11 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.884 0.373 . . . . 2.85 111.246 179.183 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 12.6 t -102.98 -8.37 20.69 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.982 -0.554 . . . . 1.6 111.056 -174.27 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -62.84 137.36 58.25 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.133 -0.485 . . . . 0.51 110.558 178.422 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 100' ' ' THR . . . . . 0.427 ' HA ' ' HA ' ' A' ' 65' ' ' THR . 55.9 p -90.09 161.72 15.66 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 116.446 -0.343 . . . . 0.47 110.736 178.611 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 31.8 mmt -55.97 -35.97 67.32 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.825 0.345 . . . . 1.18 110.276 177.121 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 102' ' ' ALA . . . . . 0.535 ' O ' ' HG2' ' A' ' 106' ' ' ARG . . . -60.16 -52.22 66.27 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.99 -0.55 . . . . 0.39 111.046 179.403 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 33.0 mt-10 -63.76 -41.14 98.05 Favored 'General case' 0 C--O 1.237 0.404 0 CA-C-O 121.205 0.526 . . . . 0.53 110.537 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 104' ' ' ILE . . . . . 0.414 HG12 ' O ' ' A' ' 100' ' ' THR . 32.5 mm -58.1 -47.9 85.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-N 115.244 -0.889 . . . . 0.45 110.638 177.534 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 65.5 t80 -59.04 -46.47 88.13 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.293 -0.412 . . . . 1.56 111.29 178.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 106' ' ' ARG . . . . . 0.535 ' HG2' ' O ' ' A' ' 102' ' ' ALA . 33.2 mmt180 -59.45 -32.78 70.53 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.284 -0.416 . . . . 4.23 111.859 -175.536 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -97.3 -47.42 5.72 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.047 0.451 . . . . 1.77 111.769 -177.403 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 76.0 m-85 -101.96 19.64 18.02 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 113.379 0.881 . . . . 1.36 113.379 -169.334 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 60.2 pttt -63.63 136.58 57.61 Favored 'General case' 0 C--N 1.326 -0.441 0 C-N-CA 120.501 -0.48 . . . . 1.82 110.361 174.873 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -85.98 -175.16 5.45 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.194 -0.457 . . . . 1.35 110.045 -178.499 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 11.4 tp10 -58.87 -42.6 89.84 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.095 0.474 . . . . 2.97 111.044 -177.528 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 112' ' ' ASP . . . . . 0.411 ' HA ' ' OE1' ' A' ' 23' ' ' GLN . 5.2 p30 -82.41 -13.27 57.09 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.924 -0.58 . . . . 0.77 111.645 -175.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 104.83 -7.16 44.8 Favored Glycine 0 N--CA 1.446 -0.675 0 C-N-CA 120.472 -0.871 . . . . 0.47 112.888 179.608 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 114' ' ' PHE . . . . . 0.433 ' HB2' ' CE1' ' A' ' 116' ' ' TYR . 34.0 m-85 -76.76 154.6 33.88 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 117.101 0.45 . . . . 1.35 110.404 176.48 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 48.4 t -101.75 109.23 25.46 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.664 0 N-CA-C 109.151 -0.685 . . . . 1.06 109.151 172.405 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 116' ' ' TYR . . . . . 0.433 ' CE1' ' HB2' ' A' ' 114' ' ' PHE . 79.5 m-85 -94.26 122.7 37.07 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 121.062 0.458 . . . . 1.31 110.393 -178.676 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 117' ' ' MET . . . . . 0.402 ' HE3' HG22 ' A' ' 89' ' ' VAL . 92.1 mtp -126.37 143.31 51.22 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.723 -0.672 . . . . 1.19 110.118 -178.578 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 118' ' ' THR . . . . . 0.426 ' HA ' ' O ' ' A' ' 42' ' ' GLU . 0.8 OUTLIER -118.95 134.67 55.03 Favored 'General case' 0 C--N 1.317 -0.83 0 CA-C-N 116.135 -0.484 . . . . 0.92 110.095 -171.677 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -124.82 143.84 50.6 Favored 'General case' 0 C--N 1.323 -0.555 0 C-N-CA 120.096 -0.642 . . . . 1.2 111.58 -177.409 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 120' ' ' ALA . . . . . 0.545 ' HB2' ' CB ' ' A' ' 44' ' ' TYR . . . -150.64 141.84 23.18 Favored 'General case' 0 N--CA 1.463 0.192 0 CA-C-N 115.63 -0.713 . . . . 0.86 110.512 -177.917 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 121' ' ' SER . . . . . 0.448 ' N ' HD12 ' A' ' 50' ' ' LEU . 16.2 t -77.15 -22.31 52.76 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.023 0.44 . . . . 2.69 110.042 -178.49 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 34.0 tt0 -140.99 131.56 25.45 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.062 -0.517 . . . . 4.22 109.858 176.367 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 4.1 tm-20 -150.79 -72.4 0.17 Allowed 'General case' 0 C--N 1.319 -0.737 0 N-CA-C 107.795 -1.187 . . . . 6.07 107.795 177.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 39.4 m -109.06 86.23 2.25 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 108.27 -1.011 . . . . 6.51 108.27 167.464 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 79.6 m-85 64.36 -163.63 0.26 Allowed 'General case' 0 N--CA 1.465 0.288 0 CA-C-N 115.206 -0.907 . . . . 8.27 110.153 -172.426 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.184 0 CA-C-O 118.691 -1.06 . . . . 10.03 111.947 178.374 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.596 0 N-CA-C 111.824 -0.51 . . . . 29.54 111.824 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 11.6 m -71.73 -48.54 46.36 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 120.948 0.404 . . . . 29.85 110.556 -178.709 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.4 ptp -96.93 133.26 24.51 Favored Pre-proline 0 C--N 1.324 -0.524 0 CA-C-N 116.29 -0.414 . . . . 27.04 110.257 178.284 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 29.8 Cg_exo -62.4 129.49 26.92 Favored 'Trans proline' 0 C--N 1.344 0.314 0 C-N-CA 122.442 2.095 . . . . 24.48 111.175 176.294 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 23.0 Cg_endo -62.41 119.07 6.0 Favored 'Trans proline' 0 CA--C 1.53 0.304 0 C-N-CA 122.504 2.136 . . . . 22.87 112.467 -175.486 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_endo -77.33 -14.95 16.17 Favored 'Trans proline' 0 C--N 1.344 0.338 0 C-N-CA 122.821 2.347 . . . . 21.43 112.814 -178.961 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 23.6 tt0 -85.45 -9.03 58.04 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.467 0.651 . . . . 20.6 109.799 178.222 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 58.0 tttm -100.98 73.95 1.57 Allowed 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.595 -0.73 . . . . 18.97 109.386 178.243 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.479 HD12 ' H ' ' A' ' 7' ' ' ILE . 4.6 mp -73.03 -47.62 8.08 Favored Pre-proline 0 CA--C 1.537 0.447 0 CA-C-N 115.527 -0.76 . . . . 16.36 111.86 -177.942 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.438 ' HD3' ' HB ' ' A' ' 7' ' ' ILE . 7.9 Cg_exo -73.55 64.76 4.67 Favored 'Trans proline' 0 C--N 1.358 1.055 0 C-N-CA 122.388 2.058 . . . . 15.48 112.459 -179.324 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 68.5 m -99.42 74.01 1.89 Allowed 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.102 -0.499 . . . . 13.76 110.286 177.826 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 40.0 t -86.22 104.61 13.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-N 115.798 -0.637 . . . . 11.94 110.609 -177.702 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.463 ' HB2' ' HD3' ' A' ' 12' ' ' PRO . 57.4 mtt180 -76.9 -45.98 2.93 Favored Pre-proline 0 C--N 1.326 -0.428 0 CA-C-N 116.073 -0.512 . . . . 12.04 111.734 176.707 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.463 ' HD3' ' HB2' ' A' ' 11' ' ' ARG . 11.6 Cg_exo -72.85 101.82 1.36 Allowed 'Trans proline' 0 C--N 1.357 0.999 0 C-N-CA 121.972 1.781 . . . . 8.79 112.119 177.455 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 41.3 m-85 -74.23 139.45 44.35 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.776 -0.647 . . . . 9.33 110.535 -178.821 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 13.4 mptt 58.66 39.5 24.43 Favored 'General case' 0 N--CA 1.464 0.24 0 O-C-N 123.656 0.598 . . . . 8.26 111.353 177.733 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 23.2 tt0 -136.15 136.59 40.16 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.418 -0.356 . . . . 6.53 110.384 -179.532 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.615 ' NE ' ' HA ' ' A' ' 16' ' ' ARG . 4.7 mmp_? -120.96 52.01 1.22 Allowed 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.348 0.594 . . . . 6.69 110.36 175.805 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 65.8 mttm -125.66 123.37 38.81 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.589 -0.732 . . . . 3.96 109.648 179.274 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.566 ' OG ' HG12 ' A' ' 21' ' ' ILE . 83.7 p -78.76 -174.57 4.0 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.454 -0.339 . . . . 0.97 110.419 -178.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 35.6 tp -60.3 -47.91 84.0 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 121.501 0.667 . . . . 1.11 109.446 177.332 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -66.06 -40.97 91.35 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 114.933 -1.031 . . . . 0.94 111.582 178.821 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.566 HG12 ' OG ' ' A' ' 18' ' ' SER . 46.9 mm -68.81 -30.05 45.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 C-N-CA 120.329 -0.548 . . . . 1.64 110.439 179.724 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.708 ' O ' HG23 ' A' ' 26' ' ' VAL . 10.4 mmt85 -63.66 -44.0 95.09 Favored 'General case' 0 CA--C 1.512 -0.519 0 N-CA-C 109.449 -0.574 . . . . 2.59 109.449 175.169 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 56.4 tp60 -60.46 -34.66 74.34 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.75 -0.659 . . . . 2.16 109.997 177.664 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -73.82 -35.19 64.83 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-O 121.111 0.481 . . . . 2.83 110.024 179.551 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.427 ' O ' HG13 ' A' ' 29' ' ' ILE . 22.8 tp10 -64.62 -48.5 74.66 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 109.245 -0.65 . . . . 2.3 109.245 177.466 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.708 HG23 ' O ' ' A' ' 22' ' ' ARG . 10.3 t -61.63 -40.37 86.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 115.652 -0.704 . . . . 1.21 109.892 175.708 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -55.33 -47.19 76.05 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 115.684 -0.689 . . . . 0.59 110.664 177.87 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -68.09 -48.44 53.5 Favored Glycine 0 N--CA 1.448 -0.506 0 CA-C-N 115.818 -0.628 . . . . 0.65 112.436 179.143 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.427 HG13 ' O ' ' A' ' 25' ' ' GLU . 78.6 mt -58.86 -51.15 75.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-O 120.74 0.305 . . . . 0.58 111.168 -178.593 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 20.4 tpt180 -70.53 -25.86 63.31 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.158 -0.474 . . . . 3.31 111.309 -173.805 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -80.3 -37.28 33.0 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.687 0.28 . . . . 0.91 111.075 178.439 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 56.9 mtmt -85.21 -27.18 26.28 Favored 'General case' 0 C--N 1.327 -0.373 0 C-N-CA 120.997 -0.281 . . . . 3.0 110.954 -177.295 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 61.5 m-85 -137.04 86.81 19.68 Favored Pre-proline 0 C--N 1.325 -0.461 0 CA-C-N 116.059 -0.519 . . . . 1.49 110.218 -177.953 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 30.3 Cg_endo -62.74 -29.65 77.39 Favored 'Trans proline' 0 C--N 1.343 0.258 0 C-N-CA 122.796 2.331 . . . . 0.74 112.96 -176.19 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' ASN . . . . . 0.552 ' O ' ' HA ' ' A' ' 61' ' ' PRO . 10.9 m120 -86.1 -11.14 53.5 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.516 -0.311 . . . . 2.16 111.085 -178.405 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 39.1 ttmt -92.7 142.34 27.46 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.35 0.595 . . . . 2.03 111.05 -176.268 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 86.8 mt -129.34 123.54 21.57 Favored Pre-proline 0 C--N 1.319 -0.719 0 CA-C-N 115.255 -0.884 . . . . 0.58 110.029 179.753 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.665 ' HB2' ' CE2' ' A' ' 114' ' ' PHE . 72.1 Cg_endo -82.31 115.13 2.55 Favored 'Trans proline' 0 N--CA 1.46 -0.453 0 C-N-CA 122.56 2.173 . . . . 0.53 112.276 177.15 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 8.8 p -117.95 140.14 42.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-O 121.101 0.477 . . . . 1.39 111.193 -179.11 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 94.4 t -106.74 121.14 59.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-N 115.633 -0.712 . . . . 0.4 109.959 176.722 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.412 HG22 ' HB2' ' A' ' 117' ' ' MET . 18.3 t -121.45 110.5 27.96 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 N-CA-C 109.955 -0.387 . . . . 1.03 109.955 178.541 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -134.53 162.64 31.69 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.057 0.456 . . . . 2.43 110.645 179.602 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 70.8 mtm180 -74.78 150.97 39.15 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.68 -0.691 . . . . 2.32 111.117 -174.489 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 16.4 t80 -57.23 135.1 81.06 Favored Pre-proline 0 C--N 1.323 -0.568 0 CA-C-N 115.013 -0.994 . . . . 1.74 109.095 174.17 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 11.2 Cg_endo -54.54 -28.01 53.15 Favored 'Trans proline' 0 C--N 1.346 0.438 0 C-N-CA 123.613 2.876 . . . . 1.48 113.73 -174.173 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 18.3 mtp180 -94.54 -4.07 48.65 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.943 0.402 . . . . 4.16 111.058 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 11.2 tp10 -89.14 122.25 32.26 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.104 -0.498 . . . . 2.56 110.335 -179.752 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 7.5 p -131.03 -1.79 4.07 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.066 -0.515 . . . . 3.54 111.05 178.908 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 56.8 t80 -91.66 -48.25 6.93 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.204 -0.453 . . . . 5.19 110.241 -179.731 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.44 HD22 ' C ' ' A' ' 120' ' ' ALA . 14.7 tp -66.76 134.1 94.14 Favored Pre-proline 0 C--N 1.324 -0.535 0 CA-C-N 116.033 -0.531 . . . . 1.51 110.085 -179.527 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' PRO . . . . . 0.502 ' HA ' ' HD3' ' A' ' 52' ' ' PRO . 60.6 Cg_endo -71.98 147.51 49.37 Favored 'Trans proline' 0 CA--C 1.531 0.331 0 C-N-CA 122.85 2.367 . . . . 1.69 113.082 -177.599 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' PRO . . . . . 0.502 ' HD3' ' HA ' ' A' ' 51' ' ' PRO . 13.5 Cg_exo -70.05 169.97 18.04 Favored 'Trans proline' 0 C--N 1.347 0.452 0 C-N-CA 123.205 2.603 . . . . 1.17 111.589 173.497 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.478 HD11 HG23 ' A' ' 73' ' ' ILE . 51.5 mt -100.8 166.96 10.6 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.62 -0.264 . . . . 1.22 111.184 -179.853 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.44 ' OD2' ' HG3' ' A' ' 55' ' ' LYS . 25.1 t70 -52.9 -42.06 64.99 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.087 -0.506 . . . . 2.12 111.253 178.44 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.44 ' HG3' ' OD2' ' A' ' 54' ' ' ASP . 61.8 mttp -129.69 154.65 46.94 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.283 -0.417 . . . . 2.59 110.425 -179.475 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 2.2 m -91.79 -21.62 20.58 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.938 -0.574 . . . . 1.14 109.72 174.861 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 53.8 mttp -119.88 134.98 55.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.646 -0.706 . . . . 2.14 109.999 177.381 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 94.3 m-85 -126.72 144.99 50.77 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 116.256 -0.429 . . . . 1.64 109.864 176.169 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.554 HD12 ' O ' ' A' ' 59' ' ' LEU . 3.1 pp -99.08 112.11 24.33 Favored 'General case' 0 N--CA 1.445 -0.679 0 CA-C-O 121.465 0.65 . . . . 2.22 109.506 175.256 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 23.1 m -119.73 136.47 24.82 Favored Pre-proline 0 C--N 1.319 -0.742 0 CA-C-N 115.894 -0.594 . . . . 0.59 110.552 -176.763 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' PRO . . . . . 0.552 ' HA ' ' O ' ' A' ' 35' ' ' ASN . 91.2 Cg_endo -80.15 159.4 23.54 Favored 'Trans proline' 0 N--CA 1.46 -0.468 0 C-N-CA 122.416 2.077 . . . . 0.71 112.441 -178.829 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' GLN . . . . . 0.489 ' HB3' ' HB2' ' A' ' 102' ' ' ALA . 68.7 mt-30 -61.84 -21.05 64.32 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.596 -0.729 . . . . 1.34 110.683 177.648 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 5.1 mp0 -81.39 -7.72 59.62 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.461 -0.79 . . . . 3.07 111.289 -176.046 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 22.7 tp -85.0 139.49 31.74 Favored 'General case' 0 N--CA 1.451 -0.412 0 CA-C-O 121.134 0.492 . . . . 1.44 110.57 -177.324 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 68.5 p -96.43 157.0 16.1 Favored 'General case' 0 C--N 1.316 -0.865 0 CA-C-N 115.653 -0.703 . . . . 0.68 110.584 177.372 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' MET . . . . . 0.465 ' HG2' ' O ' ' A' ' 96' ' ' SER . 14.7 tpt -58.01 -37.4 74.21 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.024 0.44 . . . . 1.39 110.348 176.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 16.7 m -54.26 -50.3 67.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.454 -0.793 . . . . 1.33 110.891 177.224 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' GLN . . . . . 0.421 ' O ' HG13 ' A' ' 72' ' ' ILE . 95.8 mt-30 -74.5 -30.28 61.75 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.972 -0.558 . . . . 2.03 111.402 -178.239 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 69' ' ' PHE . . . . . 0.403 ' O ' HG13 ' A' ' 73' ' ' ILE . 24.2 t80 -68.73 -41.55 78.86 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.226 0.536 . . . . 1.33 109.698 179.682 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 65.8 tp -60.76 -36.25 78.45 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.389 -0.823 . . . . 1.43 110.188 175.697 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 16.2 m -65.3 -46.97 78.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.076 -0.511 . . . . 1.5 110.212 174.858 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.421 HG13 ' O ' ' A' ' 68' ' ' GLN . 72.6 mt -58.54 -46.18 90.0 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.111 0 CA-C-N 116.054 -0.521 . . . . 0.46 111.259 179.127 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.478 HG23 HD11 ' A' ' 53' ' ' LEU . 70.0 mt -55.46 -46.13 78.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.974 0.416 . . . . 1.08 110.817 178.568 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 47.5 ttt180 -66.94 -31.67 72.4 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.121 0.486 . . . . 3.12 110.804 179.123 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 28.1 t -75.09 -16.36 60.57 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.017 -0.538 . . . . 1.33 110.57 179.482 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 32.0 mmt180 -99.19 4.0 46.61 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.253 -0.431 . . . . 3.11 111.419 -178.608 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 16.4 mmt -58.27 126.02 25.74 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-N 116.183 -0.462 . . . . 1.28 110.649 175.316 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 53.1 t -64.58 -34.83 72.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-O 121.161 0.505 . . . . 1.66 110.086 175.681 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 95.4 mt -125.78 126.29 44.32 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 116.018 -0.537 . . . . 2.29 110.491 177.83 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 36.6 ttm180 -90.75 164.0 14.27 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 109.352 -0.61 . . . . 4.54 109.352 177.522 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . 65.09 77.92 0.29 Allowed 'General case' 0 C--O 1.233 0.216 0 CA-C-O 121.629 0.728 . . . . 2.91 110.689 -178.12 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 6.2 t -144.64 35.57 1.16 Allowed 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 114.781 -1.099 . . . . 4.3 109.665 -179.441 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER 61.25 -161.78 0.28 Allowed 'General case' 0 C--O 1.235 0.326 0 CA-C-N 115.161 -0.927 . . . . 3.64 110.814 -174.863 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -84.13 172.07 12.28 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 110.034 -0.358 . . . . 1.27 110.034 177.496 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' PHE . . . . . 0.432 ' HB2' ' O ' ' A' ' 120' ' ' ALA . 13.1 p90 -153.96 151.27 29.21 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 110.021 -0.363 . . . . 1.38 110.021 179.212 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 51.2 m-85 -106.79 139.38 41.31 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.069 0.461 . . . . 3.3 111.321 -178.732 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.484 HD11 ' CG ' ' A' ' 117' ' ' MET . 2.5 tm? -114.19 113.89 25.27 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.353 -0.84 . . . . 1.56 109.37 -178.689 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.417 ' HA ' ' HB3' ' A' ' 94' ' ' LEU . 6.6 mp -104.05 144.97 30.85 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.312 -0.403 . . . . 1.54 110.11 179.34 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 40.6 t -102.87 118.65 50.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-O 120.763 0.316 . . . . 1.31 110.229 -179.79 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 6.6 t-20 54.51 31.81 15.57 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-N 115.053 -0.976 . . . . 2.22 111.032 -179.779 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 55.7 m-80 54.4 23.5 4.5 Favored 'General case' 0 N--CA 1.468 0.435 0 CA-C-N 115.676 -0.693 . . . . 2.53 111.801 -179.103 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 64.2 tttp -114.62 -64.27 1.34 Allowed 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 120.8 0.333 . . . . 3.95 111.083 -177.19 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 44.7 m -129.7 149.5 51.43 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.843 0.354 . . . . 2.32 111.688 -173.429 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.417 ' HB3' ' HA ' ' A' ' 88' ' ' LEU . 1.6 pt? -135.33 33.32 3.06 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.466 0.651 . . . . 2.04 109.843 176.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 32.3 m -107.58 -16.39 8.53 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 CA-C-N 115.43 -0.805 . . . . 4.29 112.112 -174.653 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 96' ' ' SER . . . . . 0.465 ' O ' ' HG2' ' A' ' 66' ' ' MET . 15.1 m -76.42 87.26 3.17 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.149 0.499 . . . . 1.9 110.171 -179.209 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 23.6 ptm -92.71 -29.87 15.84 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.675 -0.693 . . . . 2.85 111.357 -177.26 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 13.2 p -102.99 7.59 39.09 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 121.214 0.53 . . . . 1.6 110.982 -176.496 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -81.64 149.92 28.32 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.869 -0.605 . . . . 0.51 110.518 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 100' ' ' THR . . . . . 0.471 ' O ' HG12 ' A' ' 104' ' ' ILE . 56.6 p -93.68 158.26 15.77 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 116.295 -0.411 . . . . 0.47 110.37 176.888 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 101' ' ' MET . . . . . 0.438 ' HE2' ' HA ' ' A' ' 101' ' ' MET . 0.0 OUTLIER -58.08 -30.35 66.15 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.873 0.368 . . . . 1.18 110.517 176.145 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 102' ' ' ALA . . . . . 0.489 ' HB2' ' HB3' ' A' ' 62' ' ' GLN . . . -58.39 -52.02 67.39 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.99 -0.55 . . . . 0.39 110.764 176.679 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 26.1 mt-10 -67.0 -41.19 87.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.801 -0.636 . . . . 0.53 110.596 179.349 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 104' ' ' ILE . . . . . 0.471 HG12 ' O ' ' A' ' 100' ' ' THR . 44.2 mm -59.91 -46.77 93.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 115.506 -0.77 . . . . 0.45 111.191 -179.869 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 45.3 t80 -60.86 -46.65 89.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.841 0.353 . . . . 1.56 110.842 178.231 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 74.6 mtp180 -59.71 -26.9 65.99 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.837 -0.619 . . . . 4.23 111.973 -176.404 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -102.98 -50.78 3.42 Favored 'General case' 0 C--N 1.325 -0.481 0 C-N-CA 120.684 -0.406 . . . . 1.77 111.787 -179.044 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 73.1 m-85 -97.78 18.5 15.58 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 113.238 0.829 . . . . 1.36 113.238 -168.139 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 62.1 pttt -64.11 125.85 25.83 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 109.042 -0.725 . . . . 1.82 109.042 170.755 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 110' ' ' ASP . . . . . 0.415 ' OD1' ' HG2' ' A' ' 111' ' ' GLU . 4.4 t70 -82.65 -172.03 3.83 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.61 -0.268 . . . . 1.35 111.057 -173.031 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 111' ' ' GLU . . . . . 0.415 ' HG2' ' OD1' ' A' ' 110' ' ' ASP . 15.5 pt-20 -63.46 -33.8 76.37 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.767 0.317 . . . . 2.97 111.605 -173.723 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 112' ' ' ASP . . . . . 0.434 ' HB2' ' HB3' ' A' ' 22' ' ' ARG . 4.5 p30 -85.56 -10.43 55.95 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.566 -0.288 . . . . 0.77 111.112 -177.856 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 108.93 -22.66 25.21 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.906 -0.664 . . . . 0.47 113.313 173.93 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 114' ' ' PHE . . . . . 0.665 ' CE2' ' HB2' ' A' ' 38' ' ' PRO . 15.7 m-85 -78.57 156.85 28.96 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 120.908 0.385 . . . . 1.35 110.751 178.013 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 22.8 t -94.4 138.73 19.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 N-CA-C 108.469 -0.937 . . . . 1.06 108.469 174.175 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 116' ' ' TYR . . . . . . . . . . . . . 47.0 m-85 -116.01 129.58 56.43 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 121.138 0.495 . . . . 1.31 112.244 -174.019 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 117' ' ' MET . . . . . 0.484 ' CG ' HD11 ' A' ' 87' ' ' LEU . 1.3 mpt? -120.69 125.7 48.33 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-N 115.267 -0.878 . . . . 1.19 109.716 172.607 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 9.4 m -108.66 132.48 53.87 Favored 'General case' 0 C--N 1.308 -1.208 0 CA-C-N 115.243 -0.89 . . . . 0.92 108.762 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 119' ' ' TYR . . . . . 0.452 ' HB3' ' CD2' ' A' ' 87' ' ' LEU . 2.4 p90 -133.37 141.93 48.14 Favored 'General case' 0 C--N 1.32 -0.682 0 C-N-CA 119.416 -0.914 . . . . 1.2 111.907 -178.929 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 120' ' ' ALA . . . . . 0.44 ' C ' HD22 ' A' ' 50' ' ' LEU . . . -132.05 174.47 10.16 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 114.719 -1.128 . . . . 0.86 108.704 177.772 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 42.3 p -72.68 -147.94 0.02 OUTLIER 'General case' 0 CA--C 1.539 0.541 0 CA-C-O 121.091 0.472 . . . . 2.69 111.965 -175.238 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 53.3 tt0 -90.22 132.36 35.54 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.168 0.508 . . . . 4.22 110.613 -175.626 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -126.25 89.27 2.98 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.449 -0.796 . . . . 6.07 109.689 179.011 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 14.0 m -107.95 -59.22 1.88 Allowed 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 115.507 -0.77 . . . . 6.51 109.829 178.071 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 68.1 t80 -162.14 -52.6 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.614 -0.721 . . . . 8.27 109.585 179.626 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.05 0 CA-C-O 118.629 -1.095 . . . . 10.03 111.583 178.813 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.693 0 N-CA-C 111.987 -0.445 . . . . 29.54 111.987 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 50.8 m -136.4 64.32 1.56 Allowed 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.141 0.495 . . . . 29.85 110.412 179.109 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 73.3 mtm -76.88 131.68 72.9 Favored Pre-proline 0 C--N 1.323 -0.567 0 CA-C-N 116.009 -0.542 . . . . 27.04 110.342 -178.788 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 2' ' ' PRO . . . . . 0.463 ' HA ' ' HD3' ' A' ' 3' ' ' PRO . 36.7 Cg_endo -65.44 136.94 48.89 Favored 'Trans proline' 0 C--O 1.232 0.216 0 C-N-CA 123.064 2.509 . . . . 24.48 112.654 -177.131 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 3' ' ' PRO . . . . . 0.463 ' HD3' ' HA ' ' A' ' 2' ' ' PRO . 31.2 Cg_exo -60.09 123.72 13.77 Favored 'Trans proline' 0 C--O 1.234 0.322 0 C-N-CA 122.82 2.347 . . . . 22.87 112.274 177.68 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 59.6 Cg_endo -73.53 -175.15 1.91 Allowed 'Trans proline' 0 N--CA 1.464 -0.256 0 C-N-CA 122.732 2.288 . . . . 21.43 112.006 179.35 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 33.7 tt0 63.01 43.45 6.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.696 0.76 . . . . 20.6 109.401 -176.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 63.4 tttm -81.52 99.62 8.9 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.253 -0.885 . . . . 18.97 109.352 178.247 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 66.6 mt -99.96 107.84 48.77 Favored Pre-proline 0 C--N 1.321 -0.665 0 CA-C-N 116.288 -0.414 . . . . 16.36 110.386 -178.273 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 61.2 Cg_endo -74.51 107.13 2.39 Favored 'Trans proline' 0 N--CA 1.461 -0.429 0 C-N-CA 122.635 2.223 . . . . 15.48 112.457 -178.83 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 20.3 m -84.6 47.17 1.33 Allowed 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.32 0.581 . . . . 13.76 110.067 176.95 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.428 ' O ' ' HD3' ' A' ' 12' ' ' PRO . 39.5 t -92.27 95.56 5.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-N 115.824 -0.625 . . . . 11.94 110.169 -178.107 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 22.1 mmm180 -112.52 92.48 19.82 Favored Pre-proline 0 C--N 1.321 -0.662 0 CA-C-N 115.961 -0.563 . . . . 12.04 110.048 179.296 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.428 ' HD3' ' O ' ' A' ' 10' ' ' VAL . 8.8 Cg_exo -72.72 143.33 37.35 Favored 'Trans proline' 0 N--CA 1.462 -0.364 0 C-N-CA 122.794 2.33 . . . . 8.79 111.919 179.434 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 88.1 m-85 -126.5 143.57 51.15 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.361 -0.381 . . . . 9.33 110.401 178.805 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 24.9 pttm -140.19 43.5 1.91 Allowed 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.287 0.565 . . . . 8.26 109.745 177.179 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 96.7 mt-30 -69.44 91.88 0.58 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.509 -0.769 . . . . 6.53 110.055 -179.542 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 11.6 ptm180 -119.37 153.98 34.32 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.565 -0.743 . . . . 6.69 110.938 -173.274 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 21.2 pttm -157.53 123.14 4.62 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.801 -0.636 . . . . 3.96 110.749 178.259 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 78.9 p -94.38 -178.34 4.55 Favored 'General case' 0 C--N 1.318 -0.794 0 N-CA-C 109.303 -0.629 . . . . 0.97 109.303 171.012 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 38.4 tp -66.07 -47.49 74.12 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 121.348 0.594 . . . . 1.11 109.46 175.323 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -58.6 -46.91 85.99 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.281 -0.872 . . . . 0.94 111.652 178.006 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.437 ' O ' ' HB2' ' A' ' 24' ' ' GLU . 77.6 mt -66.5 -29.67 47.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.98 0.419 . . . . 1.64 110.889 179.318 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.555 HH12 ' HD3' ' A' ' 57' ' ' LYS . 16.4 tpt180 -69.4 -39.58 77.85 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 109.374 -0.602 . . . . 2.59 109.374 179.05 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' GLN . . . . . 0.402 ' HG2' ' HA ' ' A' ' 112' ' ' ASP . 78.6 mt-30 -65.63 -30.42 71.13 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.597 -0.729 . . . . 2.16 109.953 172.886 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.437 ' HB2' ' O ' ' A' ' 21' ' ' ILE . 34.3 mt-10 -67.25 -44.82 78.46 Favored 'General case' 0 CA--C 1.52 -0.184 0 CA-C-O 120.637 0.256 . . . . 2.83 110.631 174.757 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 -57.31 -48.99 77.53 Favored 'General case' 0 CA--C 1.517 -0.3 0 CA-C-N 115.915 -0.584 . . . . 2.3 110.096 175.849 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -62.72 -39.16 83.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 115.842 -0.617 . . . . 1.21 111.153 179.465 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -60.61 -46.61 89.64 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.116 -0.493 . . . . 0.59 110.576 177.59 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -64.68 -42.7 97.12 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.815 -0.707 . . . . 0.65 111.854 178.003 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 96.7 mt -59.83 -48.78 86.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 115.847 -0.176 . . . . 0.58 111.08 177.537 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 97.2 mtt180 -61.94 -32.99 73.45 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.934 0.397 . . . . 3.31 111.097 179.278 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -70.81 -33.1 70.36 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.993 -0.549 . . . . 0.91 111.259 -179.33 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 14.7 mmmm -94.05 -42.28 9.1 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.612 -0.267 . . . . 3.0 111.679 -177.728 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.52 ' HB3' ' HB2' ' A' ' 36' ' ' LYS . 87.4 m-85 -127.98 77.38 76.63 Favored Pre-proline 0 C--N 1.322 -0.597 0 CA-C-N 116.621 -0.263 . . . . 1.49 111.057 -176.015 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 42.6 Cg_endo -67.93 -27.9 36.33 Favored 'Trans proline' 0 CA--C 1.529 0.226 0 C-N-CA 122.667 2.244 . . . . 0.74 113.206 -178.245 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 64.7 t30 -86.67 -8.51 57.38 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.305 0.574 . . . . 2.16 110.406 -178.28 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.52 ' HB2' ' HB3' ' A' ' 33' ' ' PHE . 13.8 mptt -101.24 159.2 15.45 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.918 -0.583 . . . . 2.03 110.764 179.777 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 92.4 mt -119.42 127.16 26.6 Favored Pre-proline 0 C--N 1.318 -0.784 0 CA-C-N 115.38 -0.827 . . . . 0.58 110.4 -178.611 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.503 ' HB2' ' CD2' ' A' ' 114' ' ' PHE . 59.0 Cg_endo -74.54 103.39 1.69 Allowed 'Trans proline' 0 N--CA 1.461 -0.436 0 C-N-CA 122.613 2.209 . . . . 0.53 112.102 177.179 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.508 HG12 ' O ' ' A' ' 58' ' ' PHE . 14.7 p -108.4 142.31 21.36 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-N 116.125 -0.489 . . . . 1.39 110.562 -179.407 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.494 ' HA ' ' O ' ' A' ' 56' ' ' THR . 53.5 t -124.06 130.09 73.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-N 116.058 -0.519 . . . . 0.4 110.17 179.811 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -97.58 126.32 50.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-O 121.208 0.528 . . . . 1.03 111.125 179.226 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.504 ' O ' ' HA ' ' A' ' 118' ' ' THR . 33.0 mt-10 -121.03 141.61 50.59 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.629 -0.714 . . . . 2.43 109.849 178.908 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.498 ' HD2' ' O ' ' A' ' 50' ' ' LEU . 19.5 ttp180 -85.84 138.89 31.73 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 109.889 -0.412 . . . . 2.32 109.889 -178.343 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' TYR . . . . . 0.486 ' CB ' ' HB2' ' A' ' 120' ' ' ALA . 7.6 t80 -64.71 127.78 92.87 Favored Pre-proline 0 C--N 1.324 -0.511 0 CA-C-N 115.948 -0.569 . . . . 1.74 109.669 178.495 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 19.7 Cg_endo -58.48 -26.0 76.3 Favored 'Trans proline' 0 C--N 1.344 0.319 0 C-N-CA 123.238 2.625 . . . . 1.48 113.359 -173.735 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.404 HH11 ' HD2' ' A' ' 46' ' ' ARG . 5.0 mpt_? -84.01 -19.54 34.32 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.789 0.328 . . . . 4.16 110.684 179.571 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -88.51 139.27 30.65 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.21 -0.45 . . . . 2.56 111.141 -174.508 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 10.1 p -125.99 -14.52 6.07 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.973 -0.558 . . . . 3.54 111.584 178.127 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 83.3 t80 -90.67 -41.82 11.08 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.567 -0.288 . . . . 5.19 111.271 -175.917 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.498 ' O ' ' HD2' ' A' ' 43' ' ' ARG . 0.6 OUTLIER -70.67 115.13 32.4 Favored Pre-proline 0 C--N 1.328 -0.368 0 N-CA-C 109.492 -0.559 . . . . 1.51 109.492 -178.447 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 51' ' ' PRO . . . . . 0.479 ' HG3' ' O ' ' A' ' 79' ' ' LEU . 84.7 Cg_endo -76.93 158.17 34.62 Favored 'Trans proline' 0 C--O 1.234 0.298 0 C-N-CA 123.093 2.528 . . . . 1.69 113.583 -174.119 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 46.3 Cg_endo -69.8 157.96 58.53 Favored 'Trans proline' 0 N--CA 1.461 -0.415 0 C-N-CA 122.55 2.167 . . . . 1.17 110.597 168.782 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 5.6 mp -91.06 160.77 15.42 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 116.664 -0.244 . . . . 1.22 111.456 -177.927 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -56.59 -36.32 69.25 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.372 0.606 . . . . 2.12 110.462 179.659 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 65.3 mttm -117.4 128.84 55.41 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.805 -0.634 . . . . 2.59 110.025 174.357 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.494 ' O ' ' HA ' ' A' ' 40' ' ' VAL . 3.1 m -87.13 -28.81 22.26 Favored 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 109.03 -0.73 . . . . 1.14 109.03 176.91 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.555 ' HD3' HH12 ' A' ' 22' ' ' ARG . 46.2 mtmt -120.16 111.48 17.89 Favored 'General case' 0 N--CA 1.451 -0.402 0 CA-C-N 115.119 -0.946 . . . . 2.14 109.017 175.678 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.508 ' O ' HG12 ' A' ' 39' ' ' VAL . 4.9 p90 -135.59 146.18 47.69 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-O 121.091 0.472 . . . . 1.64 111.16 -179.598 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -94.55 124.68 38.73 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.789 -0.642 . . . . 2.22 110.743 -175.634 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.412 ' HA ' ' HD3' ' A' ' 61' ' ' PRO . 15.0 m -122.89 132.18 24.3 Favored Pre-proline 0 C--N 1.322 -0.599 0 CA-C-N 116.033 -0.531 . . . . 0.59 110.307 176.697 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' PRO . . . . . 0.412 ' HD3' ' HA ' ' A' ' 60' ' ' VAL . 32.5 Cg_exo -58.67 146.18 92.89 Favored 'Trans proline' 0 C--N 1.343 0.245 0 C-N-CA 122.618 2.212 . . . . 0.71 112.096 178.853 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' GLN . . . . . 0.493 ' HB2' ' HB2' ' A' ' 102' ' ' ALA . 12.0 pt20 -68.1 -11.96 60.01 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.226 -0.443 . . . . 1.34 110.95 -179.435 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 13.9 tp10 -78.91 -6.73 56.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.741 -0.663 . . . . 3.07 110.158 178.526 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 18.7 tp -82.44 142.2 32.12 Favored 'General case' 0 N--CA 1.443 -0.779 0 CA-C-N 115.713 -0.676 . . . . 1.44 110.313 -177.675 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.413 ' HA ' ' HA ' ' A' ' 100' ' ' THR . 68.5 p -96.54 162.63 13.38 Favored 'General case' 0 C--N 1.313 -1.012 0 CA-C-N 115.726 -0.67 . . . . 0.68 110.154 175.703 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 73.7 mmm -60.3 -32.15 70.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.803 0.335 . . . . 1.39 110.794 176.336 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 86.1 m -63.75 -50.63 68.33 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.029 0.443 . . . . 1.33 111.214 179.644 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 51.7 mt-30 -68.4 -28.26 66.94 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.157 0.504 . . . . 2.03 110.023 179.712 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' PHE . . . . . 0.467 ' CZ ' HD11 ' A' ' 73' ' ' ILE . 75.3 t80 -69.3 -40.7 77.54 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.416 -0.811 . . . . 1.33 109.99 177.958 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 49.1 tp -53.69 -42.78 68.33 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.204 -0.907 . . . . 1.43 110.275 175.326 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 12.2 t -65.59 -37.59 87.06 Favored 'General case' 0 C--O 1.235 0.325 0 CA-C-N 115.788 -0.642 . . . . 1.5 110.55 178.024 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 54.0 mt -65.6 -41.87 91.63 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-N 116.379 -0.373 . . . . 0.46 110.742 179.133 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.552 ' O ' ' HG3' ' A' ' 77' ' ' MET . 49.1 mm -56.28 -49.7 75.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.991 0.425 . . . . 1.08 110.242 178.286 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 62.3 ttt180 -63.23 -31.01 72.05 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.682 -0.69 . . . . 3.12 111.109 179.707 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 29.8 t -77.43 -30.05 53.23 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.17 -0.468 . . . . 1.33 111.169 -177.421 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 7.8 tpp180 -95.55 2.32 54.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.92 0.39 . . . . 3.11 110.932 -176.244 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' MET . . . . . 0.552 ' HG3' ' O ' ' A' ' 73' ' ' ILE . 51.5 mtt -64.59 132.21 49.18 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.217 0.532 . . . . 1.28 111.131 179.122 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 87.8 t -67.52 -47.17 81.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 115.34 -0.845 . . . . 1.66 110.375 177.625 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.479 ' O ' ' HG3' ' A' ' 51' ' ' PRO . 3.0 tm? -111.08 125.09 53.39 Favored 'General case' 0 C--N 1.314 -0.941 0 N-CA-C 108.534 -0.914 . . . . 2.29 108.534 176.538 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 82.3 mtm180 -83.67 120.19 25.69 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 120.962 0.411 . . . . 4.54 111.018 -176.482 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -100.93 -27.06 13.51 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.436 0.636 . . . . 2.91 110.071 176.218 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 72.0 p 53.82 18.33 1.55 Allowed 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 114.102 -1.408 . . . . 4.3 113.695 176.229 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -118.96 -169.26 1.7 Allowed 'General case' 0 C--N 1.323 -0.556 0 O-C-N 122.339 -0.226 . . . . 3.64 110.622 179.357 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -74.21 137.78 43.29 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.221 0.534 . . . . 1.27 111.807 -176.412 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 28.3 p90 -146.44 144.24 29.55 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.33 -0.85 . . . . 1.38 109.289 175.012 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' TYR . . . . . 0.628 ' CZ ' ' HB3' ' A' ' 120' ' ' ALA . 36.8 p90 -103.07 139.69 38.28 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 121.239 0.543 . . . . 3.3 111.093 -177.548 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.479 ' H ' HG13 ' A' ' 95' ' ' VAL . 59.7 tp -119.82 115.64 24.26 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.181 -0.918 . . . . 1.56 110.554 -175.333 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 5.6 mp -94.5 141.85 28.11 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 109.723 -0.473 . . . . 1.54 109.723 176.93 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.523 HG11 HG23 ' A' ' 104' ' ' ILE . 60.8 t -102.5 110.63 29.71 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.802 0 N-CA-C 109.581 -0.525 . . . . 1.31 109.581 178.36 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 9.2 t-20 51.58 31.86 8.25 Favored 'General case' 0 N--CA 1.465 0.297 0 O-C-N 124.145 0.903 . . . . 2.22 110.52 -176.795 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 44.6 m-80 57.64 22.25 8.09 Favored 'General case' 0 N--CA 1.467 0.401 0 CA-C-N 115.148 -0.933 . . . . 2.53 111.904 -178.48 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 44.0 mmtm -109.73 -67.48 0.98 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.0 0.429 . . . . 3.95 110.35 178.453 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 32.9 t -88.0 149.94 23.72 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.872 -0.604 . . . . 2.32 110.468 -176.808 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.484 ' HG ' HG22 ' A' ' 95' ' ' VAL . 63.8 tp -120.36 109.4 15.31 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.321 -0.399 . . . . 2.04 110.513 -179.241 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.484 HG22 ' HG ' ' A' ' 94' ' ' LEU . 16.1 m 35.13 57.85 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.834 0 N-CA-C 114.061 1.134 . . . . 4.29 114.061 178.94 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 24.4 t -76.11 89.07 3.03 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 108.795 -0.817 . . . . 1.9 108.795 172.38 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 89.4 mtp -72.03 -19.1 61.9 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.782 -0.645 . . . . 2.85 111.896 -172.022 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 22.4 t -87.72 -8.46 56.03 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 120.97 0.414 . . . . 1.6 110.415 -178.828 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -85.58 141.05 30.11 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.128 -0.487 . . . . 0.51 110.976 179.716 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 100' ' ' THR . . . . . 0.449 ' OG1' ' HG3' ' A' ' 103' ' ' GLU . 73.4 p -86.09 153.97 21.72 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 109.47 -0.567 . . . . 0.47 109.47 175.236 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 29.1 tpp -62.82 -26.25 68.65 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.014 0.435 . . . . 1.18 110.167 -179.237 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 102' ' ' ALA . . . . . 0.493 ' HB2' ' HB2' ' A' ' 62' ' ' GLN . . . -62.76 -50.96 69.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.738 -0.665 . . . . 0.39 110.801 176.905 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 103' ' ' GLU . . . . . 0.449 ' HG3' ' OG1' ' A' ' 100' ' ' THR . 31.7 mt-10 -59.9 -42.64 94.28 Favored 'General case' 0 CA--C 1.518 -0.271 0 CA-C-O 121.264 0.554 . . . . 0.53 110.08 176.937 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 104' ' ' ILE . . . . . 0.523 HG23 HG11 ' A' ' 89' ' ' VAL . 29.7 mm -57.38 -48.36 82.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-N 114.849 -1.068 . . . . 0.45 111.131 179.479 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 105' ' ' TYR . . . . . 0.436 ' O ' ' HB3' ' A' ' 109' ' ' LYS . 7.8 t80 -64.23 -48.71 74.77 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.316 -0.402 . . . . 1.56 110.715 -179.403 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 65.4 mtp180 -56.01 -36.39 67.89 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.707 -0.679 . . . . 4.23 112.093 -176.414 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -95.4 -50.91 4.8 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.913 0.387 . . . . 1.77 111.703 -175.186 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 76.3 m-85 -97.44 16.11 21.16 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 112.786 0.661 . . . . 1.36 112.786 -168.427 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 109' ' ' LYS . . . . . 0.436 ' HB3' ' O ' ' A' ' 105' ' ' TYR . 24.2 pttm -61.01 138.37 58.19 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.866 0.365 . . . . 1.82 110.149 173.586 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -85.39 -176.61 6.19 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 109.347 -0.612 . . . . 1.35 109.347 178.374 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -66.15 -33.46 75.82 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.178 0.513 . . . . 2.97 110.47 -178.909 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 112' ' ' ASP . . . . . 0.402 ' HA ' ' HG2' ' A' ' 23' ' ' GLN . 16.1 p30 -76.69 -12.39 59.99 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.682 -0.69 . . . . 0.77 111.187 -178.764 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 94.45 5.85 61.53 Favored Glycine 0 N--CA 1.448 -0.553 0 C-N-CA 120.92 -0.657 . . . . 0.47 113.047 176.715 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 114' ' ' PHE . . . . . 0.503 ' CD2' ' HB2' ' A' ' 38' ' ' PRO . 60.0 m-85 -97.12 160.37 14.38 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.935 0.398 . . . . 1.35 110.805 177.856 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 56.2 t -106.49 109.06 26.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 N-CA-C 109.222 -0.659 . . . . 1.06 109.222 172.471 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 116' ' ' TYR . . . . . 0.431 ' CE1' ' HB2' ' A' ' 114' ' ' PHE . 89.4 m-85 -95.4 126.55 40.78 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 116.336 -0.393 . . . . 1.31 110.307 -179.068 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 117' ' ' MET . . . . . 0.449 ' HB3' HD11 ' A' ' 87' ' ' LEU . 63.9 mtt -123.01 127.58 49.0 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 116.145 -0.48 . . . . 1.19 110.505 179.506 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 118' ' ' THR . . . . . 0.504 ' HA ' ' O ' ' A' ' 42' ' ' GLU . 35.8 m -102.37 132.79 48.14 Favored 'General case' 0 C--N 1.317 -0.841 0 CA-C-N 115.729 -0.669 . . . . 0.92 109.434 179.734 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 119' ' ' TYR . . . . . 0.506 ' O ' ' HD1' ' A' ' 119' ' ' TYR . 0.0 OUTLIER -131.36 158.35 40.95 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 112.509 0.559 . . . . 1.2 112.509 -177.057 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 120' ' ' ALA . . . . . 0.628 ' HB3' ' CZ ' ' A' ' 86' ' ' TYR . . . -152.87 168.81 24.55 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.415 -0.811 . . . . 0.86 109.304 173.106 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 19.8 t -83.73 -62.57 1.54 Allowed 'General case' 0 C--N 1.32 -0.683 0 N-CA-C 109.604 -0.517 . . . . 2.69 109.604 -179.388 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 13.6 mm100 -150.59 -175.88 5.28 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.408 -0.814 . . . . 4.22 109.588 -178.616 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 71.2 mm-40 -69.92 -61.31 1.83 Allowed 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 109.789 -0.448 . . . . 6.07 109.789 174.684 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 8.1 m 56.84 65.05 1.49 Allowed 'General case' 0 C--O 1.236 0.373 0 CA-C-N 115.513 -0.767 . . . . 6.51 110.169 -177.956 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 74.6 m-85 69.72 177.3 0.27 Allowed 'General case' 0 C--O 1.234 0.25 0 CA-C-N 114.82 -1.082 . . . . 8.27 111.186 -179.629 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.951 0 CA-C-O 118.298 -1.279 . . . . 10.03 111.297 178.277 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.757 0 N-CA-C 111.858 -0.497 . . . . 29.54 111.858 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 29.3 t -93.41 92.05 7.46 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 121.013 0.435 . . . . 29.85 110.331 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 71.7 mtm -97.17 115.01 65.62 Favored Pre-proline 0 C--N 1.327 -0.396 0 CA-C-N 116.169 -0.468 . . . . 27.04 110.039 175.33 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 58.1 Cg_endo -72.03 137.4 29.05 Favored 'Trans proline' 0 CA--C 1.529 0.258 0 C-N-CA 122.776 2.318 . . . . 24.48 112.375 -178.39 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 57.8 Cg_endo -72.18 121.04 7.18 Favored 'Trans proline' 0 N--CA 1.464 -0.262 0 C-N-CA 122.483 2.122 . . . . 22.87 111.881 178.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 24.1 Cg_exo -62.66 137.52 64.37 Favored 'Trans proline' 0 N--CA 1.462 -0.358 0 C-N-CA 122.345 2.03 . . . . 21.43 111.613 177.676 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 85.3 mm-40 -92.13 139.56 30.51 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 116.33 -0.395 . . . . 20.6 110.427 -179.231 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.418 ' O ' ' HD3' ' A' ' 8' ' ' PRO . 65.8 mttm 61.68 82.28 0.17 Allowed 'General case' 0 C--N 1.33 -0.245 0 O-C-N 123.952 0.783 . . . . 18.97 110.923 -179.854 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 32.1 mt -113.36 83.59 6.82 Favored Pre-proline 0 C--N 1.327 -0.381 0 CA-C-N 116.201 -0.454 . . . . 16.36 110.473 179.245 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.418 ' HD3' ' O ' ' A' ' 6' ' ' LYS . 96.5 Cg_endo -90.67 -159.94 0.09 OUTLIER 'Trans proline' 0 N--CA 1.448 -1.151 0 C-N-CA 122.648 2.232 . . . . 15.48 111.563 178.075 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 18.8 m -68.89 170.95 8.72 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.599 -0.273 . . . . 13.76 110.342 175.868 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 97.7 t -59.3 -54.6 32.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-O 121.165 0.507 . . . . 11.94 110.329 179.559 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 26.4 ptt180 -138.23 79.55 31.01 Favored Pre-proline 0 C--N 1.321 -0.644 0 CA-C-N 115.613 -0.721 . . . . 12.04 110.058 177.315 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 17.3 Cg_exo -64.82 -37.06 36.98 Favored 'Trans proline' 0 C--N 1.347 0.461 0 C-N-CA 122.723 2.282 . . . . 8.79 111.222 -178.776 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 52.5 m-85 -119.41 141.44 49.09 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.025 -0.989 . . . . 9.33 108.984 177.046 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 54.2 tttm -79.41 67.22 5.09 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 108.782 -0.822 . . . . 8.26 108.782 174.312 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.415 ' HG2' ' HG3' ' A' ' 17' ' ' LYS . 29.8 tt0 -137.73 -77.11 0.39 Allowed 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.433 -0.803 . . . . 6.53 109.992 -176.004 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 1.9 tmm_? 46.98 77.99 0.08 Allowed 'General case' 0 N--CA 1.464 0.259 0 O-C-N 124.069 0.856 . . . . 6.69 110.77 178.512 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.511 ' HE3' ' HG2' ' A' ' 22' ' ' ARG . 27.8 mtpp -102.92 121.03 41.68 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 116.394 -0.366 . . . . 3.96 110.376 -179.344 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.651 ' O ' ' HG3' ' A' ' 22' ' ' ARG . 81.0 p -87.85 166.81 14.3 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 109.044 -0.725 . . . . 0.97 109.044 176.646 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 49.6 tp -53.58 -48.59 69.04 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.416 0.627 . . . . 1.11 109.821 -179.042 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -59.28 -52.52 65.29 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 114.688 -1.142 . . . . 0.94 112.114 177.109 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 29.7 mm -59.89 -33.25 52.0 Favored 'Isoleucine or valine' 0 C--O 1.234 0.246 0 CA-C-O 120.955 0.407 . . . . 1.64 111.12 -179.437 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.651 ' HG3' ' O ' ' A' ' 18' ' ' SER . 87.6 mtt180 -65.78 -43.24 89.38 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 109.279 -0.637 . . . . 2.59 109.279 179.818 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 78.7 mt-30 -63.86 -32.21 73.65 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.404 -0.816 . . . . 2.16 110.645 176.566 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 52.4 mt-10 -74.06 -52.05 13.86 Favored 'General case' 0 CA--C 1.516 -0.341 0 CA-C-O 120.699 0.285 . . . . 2.83 111.311 -177.797 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.43 ' O ' HG13 ' A' ' 29' ' ' ILE . 41.3 tt0 -59.8 -45.07 93.46 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.144 -0.48 . . . . 2.3 110.188 178.32 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -62.92 -37.43 79.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.816 0.341 . . . . 1.21 110.417 178.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -61.55 -46.4 90.09 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.917 -0.583 . . . . 0.59 110.615 176.082 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -63.2 -47.27 89.53 Favored Glycine 0 N--CA 1.45 -0.415 0 C-N-CA 120.737 -0.744 . . . . 0.65 112.063 176.432 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.43 HG13 ' O ' ' A' ' 25' ' ' GLU . 96.7 mt -59.03 -47.4 90.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 C-N-CA 122.244 0.218 . . . . 0.58 111.369 -179.888 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.405 HH11 ' HD2' ' A' ' 30' ' ' ARG . 22.0 mtp180 -60.13 -39.21 85.48 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.727 0.299 . . . . 3.31 111.565 -179.026 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -77.9 -40.76 38.79 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 120.829 0.347 . . . . 0.91 111.447 -177.901 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 86.3 tttt -79.21 -35.43 41.71 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.11 -0.496 . . . . 3.0 111.299 -175.511 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.427 ' HB3' ' HB2' ' A' ' 36' ' ' LYS . 60.5 m-85 -130.55 81.14 68.6 Favored Pre-proline 0 C--N 1.325 -0.48 0 CA-C-N 116.577 -0.283 . . . . 1.49 110.547 -179.585 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 28.1 Cg_endo -62.91 -24.86 74.2 Favored 'Trans proline' 0 C--N 1.344 0.315 0 C-N-CA 122.613 2.208 . . . . 0.74 112.783 -179.672 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 15.8 m120 -89.98 -10.25 45.71 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.146 -0.479 . . . . 2.16 111.513 -177.315 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.427 ' HB2' ' HB3' ' A' ' 33' ' ' PHE . 5.0 mptp? -107.46 150.37 26.87 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.04 0.448 . . . . 2.03 111.221 -177.746 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.43 HD13 ' HB2' ' A' ' 105' ' ' TYR . 90.9 mt -130.38 126.43 22.12 Favored Pre-proline 0 C--N 1.322 -0.616 0 CA-C-N 115.698 -0.683 . . . . 0.58 110.115 179.384 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 87.2 Cg_endo -81.49 113.47 2.6 Favored 'Trans proline' 0 C--O 1.238 0.505 0 C-N-CA 122.758 2.305 . . . . 0.53 112.918 179.855 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.431 HG12 ' HB ' ' A' ' 115' ' ' VAL . 19.0 m -110.26 148.41 13.81 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 CA-C-N 115.806 -0.633 . . . . 1.39 110.047 176.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 43.9 t -118.47 112.99 40.45 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 N-CA-C 109.577 -0.527 . . . . 0.4 109.577 178.789 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 48.3 t -102.26 117.44 47.61 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 CA-C-O 120.99 0.424 . . . . 1.03 110.605 -177.178 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -111.62 150.79 29.6 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.802 -0.635 . . . . 2.43 109.965 179.826 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 3.2 ptm180 -79.02 144.44 34.67 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 109.792 -0.447 . . . . 2.32 109.792 179.678 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . 0.44 ' HA ' ' HD3' ' A' ' 45' ' ' PRO . 9.0 t80 -64.99 124.09 85.69 Favored Pre-proline 0 C--N 1.322 -0.621 0 CA-C-N 115.637 -0.71 . . . . 1.74 109.826 -179.484 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.44 ' HD3' ' HA ' ' A' ' 44' ' ' TYR . 34.2 Cg_exo -59.23 -24.52 74.44 Favored 'Trans proline' 0 C--N 1.348 0.506 0 C-N-CA 123.121 2.547 . . . . 1.48 113.381 -176.21 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.432 ' O ' ' HZ ' ' A' ' 125' ' ' PHE . 0.8 OUTLIER -92.75 -13.08 29.76 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 120.739 0.304 . . . . 4.16 110.673 179.167 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.432 ' HB2' ' HB3' ' A' ' 44' ' ' TYR . 8.2 tp10 -77.68 137.19 38.38 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.17 0.51 . . . . 2.56 110.441 -178.882 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 12.0 m -128.92 -15.81 4.24 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.744 -0.662 . . . . 3.54 111.143 -179.62 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 97.0 m-85 -74.43 -50.48 18.25 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-O 120.982 0.42 . . . . 5.19 110.503 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 87.4 mt -90.85 113.62 58.6 Favored Pre-proline 0 C--N 1.327 -0.39 0 CA-C-N 115.76 -0.655 . . . . 1.51 110.986 -177.09 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -76.91 163.55 30.98 Favored 'Trans proline' 0 C--O 1.234 0.322 0 C-N-CA 123.202 2.601 . . . . 1.69 112.233 178.762 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 56.3 Cg_exo -49.74 137.16 34.63 Favored 'Trans proline' 0 C--N 1.349 0.578 0 C-N-CA 123.279 2.653 . . . . 1.17 112.4 178.387 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 76.4 mt -74.66 174.18 9.44 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.177 -0.465 . . . . 1.22 111.595 -177.169 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -65.26 -46.48 80.34 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.208 0.528 . . . . 2.12 110.076 177.029 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 34.6 mmtp -117.29 147.25 42.73 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.524 -0.762 . . . . 2.59 109.883 -179.56 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 27.7 m -102.38 -31.5 10.46 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 121.193 0.521 . . . . 1.14 110.427 177.727 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 35.2 mtmm -110.92 131.81 54.73 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.212 -0.449 . . . . 2.14 110.319 -179.609 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 95.0 m-85 -125.94 121.31 32.75 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 116.264 -0.425 . . . . 1.64 110.535 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 7.5 mp -95.82 103.04 14.9 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 108.707 -0.849 . . . . 2.22 108.707 172.13 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 16.2 m -117.62 156.3 49.6 Favored Pre-proline 0 C--N 1.32 -0.705 0 CA-C-N 115.856 -0.611 . . . . 0.59 111.083 -173.148 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 27.7 Cg_endo -62.86 146.1 94.86 Favored 'Trans proline' 0 N--CA 1.465 -0.193 0 C-N-CA 122.75 2.3 . . . . 0.71 111.861 176.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . 0.477 ' HB2' ' HB2' ' A' ' 102' ' ' ALA . 9.6 pt20 -73.21 -14.47 61.35 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.29 -0.414 . . . . 1.34 110.975 -177.283 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -82.78 -7.93 59.62 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.264 -0.425 . . . . 3.07 110.367 178.255 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.43 HD22 ' HA ' ' A' ' 64' ' ' LEU . 0.2 OUTLIER -72.18 142.69 49.05 Favored 'General case' 0 N--CA 1.448 -0.557 0 CA-C-N 115.876 -0.602 . . . . 1.44 109.465 -178.127 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 27.9 p -100.38 159.2 15.33 Favored 'General case' 0 C--N 1.316 -0.886 0 CA-C-N 115.72 -0.673 . . . . 0.68 111.861 -178.61 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 79.8 mmm -55.45 -41.19 72.53 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.214 -0.448 . . . . 1.39 110.935 176.358 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 7.7 t -67.04 -41.68 86.12 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.372 -0.376 . . . . 1.33 111.503 -177.305 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 77.6 mm-40 -74.51 -29.31 61.36 Favored 'General case' 0 C--N 1.33 -0.241 0 C-N-CA 120.587 -0.445 . . . . 2.03 111.058 179.053 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . 0.474 ' CE2' HD11 ' A' ' 73' ' ' ILE . 43.3 t80 -70.01 -38.07 75.85 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 109.286 -0.635 . . . . 1.33 109.286 177.017 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 17.7 tp -54.55 -44.7 73.12 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 114.979 -1.01 . . . . 1.43 110.248 174.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 10.2 m -60.38 -41.17 93.25 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.404 -0.817 . . . . 1.5 110.784 177.654 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 74.4 mt -63.38 -44.76 99.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.379 -0.373 . . . . 0.46 110.476 178.694 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.474 HD11 ' CE2' ' A' ' 69' ' ' PHE . 73.1 mt -59.65 -45.25 94.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.099 -0.5 . . . . 1.08 111.006 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 40.9 ttm180 -63.41 -31.0 72.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.36 -0.382 . . . . 3.12 110.626 178.618 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 19.8 m -77.48 -28.07 52.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.101 -0.499 . . . . 1.33 110.53 179.868 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . 0.604 ' HA ' ' NE ' ' A' ' 76' ' ' ARG . 2.3 tpm_? -89.87 3.0 54.32 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.099 -0.5 . . . . 3.11 110.759 -177.023 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 62.0 mtt -66.91 135.03 53.21 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.011 -0.541 . . . . 1.28 110.333 176.006 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 35.2 m -77.64 -15.14 14.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-O 121.092 0.472 . . . . 1.66 110.329 176.407 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 37.8 tp -105.67 137.17 43.98 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.754 -0.657 . . . . 2.29 109.311 175.202 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 21.7 ttt180 -78.64 119.56 22.07 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 109.791 -0.448 . . . . 4.54 109.791 178.188 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -159.12 132.05 7.0 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.169 -0.469 . . . . 2.91 110.769 -178.787 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 14.5 t -103.97 14.66 30.25 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 121.765 0.793 . . . . 4.3 109.123 175.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 38.5 mm-40 -66.16 157.3 31.64 Favored 'General case' 0 C--O 1.237 0.415 0 CA-C-N 114.956 -1.02 . . . . 3.64 111.825 -177.687 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -80.41 139.6 36.41 Favored 'General case' 0 N--CA 1.446 -0.637 0 CA-C-N 115.17 -0.923 . . . . 1.27 109.538 176.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . 0.582 ' HA ' ' O ' ' A' ' 121' ' ' SER . 5.0 p90 -152.53 150.47 29.61 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 116.318 -0.401 . . . . 1.38 110.263 -179.037 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 98.1 m-85 -101.37 133.84 45.36 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 115.99 -0.55 . . . . 3.3 110.984 -175.378 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.53 HD11 ' SD ' ' A' ' 117' ' ' MET . 3.3 tm? -103.14 111.18 23.43 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 108.471 -0.937 . . . . 1.56 108.471 172.488 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 58.4 mt -100.99 136.39 40.91 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.961 -0.563 . . . . 1.54 109.891 -177.893 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.466 ' HB ' ' HB3' ' A' ' 93' ' ' SER . 18.9 t -102.15 129.48 53.47 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 N-CA-C 109.739 -0.467 . . . . 1.31 109.739 179.405 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 6.7 t-20 58.52 29.67 18.69 Favored 'General case' 0 CA--C 1.531 0.215 0 CA-C-N 115.712 -0.676 . . . . 2.22 109.712 -175.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 43.9 m-80 59.0 21.44 9.3 Favored 'General case' 0 N--CA 1.467 0.417 0 CA-C-N 115.072 -0.967 . . . . 2.53 112.199 179.41 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 34.3 mmtp -136.81 -54.69 0.72 Allowed 'General case' 0 N--CA 1.464 0.227 0 N-CA-C 112.145 0.424 . . . . 3.95 112.145 -176.498 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . 0.466 ' HB3' ' HB ' ' A' ' 89' ' ' VAL . 13.0 t -63.49 143.5 57.77 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.347 -0.388 . . . . 2.32 111.193 -173.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 96.0 mt -89.26 177.95 6.47 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.958 -0.565 . . . . 2.04 110.449 -179.418 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 9.8 t -81.42 75.37 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 116.174 -0.467 . . . . 4.29 111.115 -174.854 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 11.1 m -70.56 99.57 1.66 Allowed 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.126 -0.488 . . . . 1.9 109.705 175.821 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 89.5 mtp -60.54 -28.29 68.31 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.06 -0.518 . . . . 2.85 111.934 -172.808 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 18.9 m -89.96 -4.38 57.51 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.342 -0.39 . . . . 1.6 111.323 -175.626 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -84.73 133.26 34.37 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.995 0.426 . . . . 0.51 110.883 -178.591 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . 0.524 ' O ' HG12 ' A' ' 104' ' ' ILE . 44.0 p -93.98 158.49 15.61 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.809 -0.632 . . . . 0.47 110.91 178.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -57.21 -32.03 66.08 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.467 -0.333 . . . . 1.18 110.66 175.208 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . 0.477 ' HB2' ' HB2' ' A' ' 62' ' ' GLN . . . -56.89 -52.16 66.24 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.223 -0.444 . . . . 0.39 110.876 177.491 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 25.1 mt-10 -64.28 -46.27 84.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.778 -0.646 . . . . 0.53 110.677 178.384 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . 0.524 HG12 ' O ' ' A' ' 100' ' ' THR . 47.4 mm -57.34 -42.59 80.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 115.365 -0.834 . . . . 0.45 111.401 -178.259 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' TYR . . . . . 0.435 ' O ' ' HB2' ' A' ' 109' ' ' LYS . 20.8 t80 -63.16 -48.36 78.75 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.891 0.377 . . . . 1.56 111.092 -179.721 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 74.6 mtp180 -65.67 -25.32 67.29 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.163 -0.471 . . . . 4.23 111.502 -177.631 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . 0.424 ' HB3' ' CD2' ' A' ' 108' ' ' TYR . 7.2 t70 -92.67 -43.78 8.91 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.935 0.397 . . . . 1.77 111.634 -176.046 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' TYR . . . . . 0.424 ' CD2' ' HB3' ' A' ' 107' ' ' ASP . 49.2 m-85 -113.59 21.79 14.73 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 112.656 0.613 . . . . 1.36 112.656 -171.305 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . 0.435 ' HB2' ' O ' ' A' ' 105' ' ' TYR . 37.9 ttpt -57.79 126.39 27.19 Favored 'General case' 0 C--O 1.235 0.325 0 N-CA-C 110.189 -0.3 . . . . 1.82 110.189 174.527 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -84.27 -176.04 6.07 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.473 -0.331 . . . . 1.35 110.4 -178.208 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 -69.94 -23.39 63.19 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.154 0.502 . . . . 2.97 110.972 -176.708 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . 0.477 ' HB2' ' HB3' ' A' ' 22' ' ' ARG . 4.4 p30 -92.02 -11.85 34.84 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 116.105 -0.498 . . . . 0.77 111.194 -179.087 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . 0.406 ' O ' ' HE1' ' A' ' 105' ' ' TYR . . . 102.28 -5.47 52.42 Favored Glycine 0 N--CA 1.448 -0.558 0 C-N-CA 120.809 -0.71 . . . . 0.47 113.243 176.387 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 73.3 m-85 -93.79 162.06 14.08 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.01 0.433 . . . . 1.35 110.982 -179.618 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . 0.431 ' HB ' HG12 ' A' ' 39' ' ' VAL . 47.6 t -105.99 114.27 44.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 115.828 -0.624 . . . . 1.06 109.553 174.683 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' TYR . . . . . . . . . . . . . 75.3 m-85 -96.54 128.3 43.34 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 121.381 0.61 . . . . 1.31 111.118 -176.471 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' MET . . . . . 0.53 ' SD ' HD11 ' A' ' 87' ' ' LEU . 61.8 mtt -126.14 148.74 49.33 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.242 -0.89 . . . . 1.19 110.245 -177.177 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 17.3 m -128.22 133.51 48.86 Favored 'General case' 0 C--N 1.315 -0.911 0 N-CA-C 109.459 -0.571 . . . . 0.92 109.459 -178.895 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 16.2 p90 -120.42 142.24 49.4 Favored 'General case' 0 C--N 1.323 -0.577 0 C-N-CA 120.604 -0.439 . . . . 1.2 111.347 -177.064 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . 0.428 ' HB2' ' HB2' ' A' ' 44' ' ' TYR . . . -152.93 151.02 29.87 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.552 -0.749 . . . . 0.86 109.436 176.075 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . 0.582 ' O ' ' HA ' ' A' ' 85' ' ' PHE . 22.7 t -60.68 -57.14 13.96 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.022 0.439 . . . . 2.69 109.824 -177.677 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 46.3 mt-30 -139.07 130.25 26.73 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 116.034 -0.53 . . . . 4.22 109.751 178.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -71.87 126.76 30.55 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 109.428 -0.582 . . . . 6.07 109.428 178.19 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 6.8 m 72.13 -0.64 3.17 Favored 'General case' 0 CA--C 1.536 0.428 0 CA-C-N 115.828 -0.624 . . . . 6.51 110.424 -176.236 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 125' ' ' PHE . . . . . 0.432 ' HZ ' ' O ' ' A' ' 46' ' ' ARG . 90.8 m-85 66.6 -66.65 0.17 Allowed 'General case' 0 N--CA 1.468 0.464 0 C-N-CA 123.858 0.863 . . . . 8.27 112.06 178.675 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.041 0 CA-C-O 118.639 -1.09 . . . . 10.03 111.809 -178.593 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.669 0 N-CA-C 111.686 -0.566 . . . . 29.54 111.686 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 47.6 t -72.56 -58.04 3.68 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.813 0.339 . . . . 29.85 110.444 -179.36 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 50.9 ttm -83.93 118.15 70.56 Favored Pre-proline 0 C--N 1.325 -0.487 0 CA-C-N 116.405 -0.361 . . . . 27.04 110.53 -178.921 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 31.2 Cg_exo -59.0 135.34 65.91 Favored 'Trans proline' 0 C--N 1.343 0.267 0 C-N-CA 122.937 2.425 . . . . 24.48 111.999 178.547 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 17.8 Cg_endo -59.0 121.68 10.35 Favored 'Trans proline' 0 C--O 1.235 0.336 0 C-N-CA 122.85 2.367 . . . . 22.87 112.121 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 48.8 Cg_exo -57.03 -35.52 98.96 Favored 'Trans proline' 0 C--N 1.346 0.441 0 C-N-CA 123.492 2.795 . . . . 21.43 112.618 -179.763 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 24.5 tt0 -102.32 94.88 5.94 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.396 -0.366 . . . . 20.6 110.083 176.477 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 27.4 tptp -141.94 90.26 2.25 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.093 0.473 . . . . 18.97 109.953 178.229 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 8.0 tt -117.33 131.67 23.92 Favored Pre-proline 0 C--N 1.32 -0.704 0 CA-C-N 115.843 -0.617 . . . . 16.36 110.361 -177.501 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 19.0 Cg_endo -59.66 96.69 0.1 OUTLIER 'Trans proline' 0 C--O 1.237 0.432 0 C-N-CA 122.814 2.343 . . . . 15.48 112.237 178.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 19.1 m -80.78 60.51 4.08 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.009 -0.541 . . . . 13.76 110.759 -178.538 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 27.2 m -79.44 148.95 5.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-N 116.172 -0.467 . . . . 11.94 110.459 178.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 77.1 mtm180 -133.99 89.24 29.75 Favored Pre-proline 0 C--N 1.322 -0.605 0 CA-C-N 116.127 -0.488 . . . . 12.04 109.873 -178.493 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 32.1 Cg_exo -58.41 103.07 0.15 Allowed 'Trans proline' 0 C--O 1.233 0.236 0 C-N-CA 122.895 2.397 . . . . 8.79 112.255 -179.515 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 62.6 m-85 58.45 78.33 0.26 Allowed 'General case' 0 C--O 1.233 0.207 0 O-C-N 123.81 0.694 . . . . 9.33 111.252 -179.778 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 64.7 tttp -75.83 106.37 7.37 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.85 0.357 . . . . 8.26 110.272 177.167 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 53.9 mt-30 -79.1 160.95 26.84 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.241 -0.436 . . . . 6.53 110.323 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 88.0 mtm180 65.32 176.95 0.2 Allowed 'General case' 0 N--CA 1.466 0.328 0 O-C-N 123.415 0.447 . . . . 6.69 110.851 -175.152 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.425 ' HD2' HG21 ' A' ' 21' ' ' ILE . 74.8 mmtt -119.05 124.21 46.38 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.772 0.32 . . . . 3.96 110.448 -176.388 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.601 ' O ' ' HG2' ' A' ' 22' ' ' ARG . 82.8 p -81.65 177.09 9.12 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.145 -0.479 . . . . 0.97 110.108 178.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.425 ' O ' ' HG2' ' A' ' 23' ' ' GLN . 43.1 tp -57.99 -48.14 80.91 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.378 0.609 . . . . 1.11 109.685 177.719 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -56.97 -43.85 82.06 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 114.965 -1.016 . . . . 0.94 111.525 177.169 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.45 HG12 ' OG ' ' A' ' 18' ' ' SER . 49.7 mm -70.14 -29.59 40.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 C-N-CA 120.389 -0.524 . . . . 1.64 110.726 179.397 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.601 ' HG2' ' O ' ' A' ' 18' ' ' SER . 42.4 mmt180 -65.11 -36.58 84.75 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 109.194 -0.669 . . . . 2.59 109.194 177.626 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . 0.639 ' OE1' ' HA ' ' A' ' 112' ' ' ASP . 14.5 mm100 -60.35 -38.92 85.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.285 -0.871 . . . . 2.16 110.001 175.265 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 51.6 mt-10 -73.84 -46.53 44.48 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.972 -0.558 . . . . 2.83 111.88 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 11.2 mm-40 -56.85 -49.14 76.37 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.766 -0.652 . . . . 2.3 111.138 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -67.5 -37.41 78.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-O 121.294 0.569 . . . . 1.21 110.372 -178.656 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -59.62 -47.1 86.93 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.073 -0.967 . . . . 0.59 110.971 177.306 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -68.43 -42.85 80.63 Favored Glycine 0 N--CA 1.449 -0.483 0 C-N-CA 121.034 -0.603 . . . . 0.65 112.346 179.687 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 84.1 mt -61.84 -50.67 79.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 N-CA-C 111.378 0.14 . . . . 0.58 111.378 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.405 ' HD3' ' OH ' ' A' ' 105' ' ' TYR . 28.3 mtm180 -69.12 -24.55 64.13 Favored 'General case' 0 C--N 1.329 -0.295 0 C-N-CA 121.149 -0.22 . . . . 3.31 111.354 -176.844 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -75.66 -39.12 58.15 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.901 0.381 . . . . 0.91 110.932 178.329 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 17.7 tppt? -87.02 -40.49 14.68 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.341 -0.39 . . . . 3.0 111.067 -177.745 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 63.2 m-85 -122.9 86.42 50.49 Favored Pre-proline 0 C--N 1.323 -0.565 0 CA-C-N 116.617 -0.265 . . . . 1.49 110.917 -176.894 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 17.2 Cg_exo -66.52 -26.75 46.81 Favored 'Trans proline' 0 C--O 1.233 0.256 0 C-N-CA 122.612 2.208 . . . . 0.74 112.925 178.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 63.2 t30 -92.95 -11.03 34.35 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.947 0.403 . . . . 2.16 110.852 -177.572 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.433 ' HB3' ' HB3' ' A' ' 59' ' ' LEU . 75.1 mmtt -102.81 113.98 27.85 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.051 0.453 . . . . 2.03 110.651 -179.18 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 83.5 mt -91.11 126.7 54.27 Favored Pre-proline 0 C--N 1.317 -0.846 0 CA-C-N 115.857 -0.61 . . . . 0.58 110.59 -178.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 68.1 Cg_endo -76.03 103.31 1.72 Allowed 'Trans proline' 0 C--O 1.239 0.561 0 C-N-CA 122.696 2.264 . . . . 0.53 112.815 179.692 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 32.9 m -109.49 144.79 17.11 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.684 0 CA-C-N 115.923 -0.581 . . . . 1.39 110.153 176.753 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 60.0 t -118.51 123.34 71.4 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-N 116.276 -0.42 . . . . 0.4 110.147 -179.422 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 61.9 t -101.79 116.67 45.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-O 121.068 0.461 . . . . 1.03 110.458 -179.109 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.496 ' O ' ' HA ' ' A' ' 118' ' ' THR . 52.9 mm-40 -111.53 139.04 47.29 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.577 -0.738 . . . . 2.43 110.713 -177.185 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.428 HH11 ' HD2' ' A' ' 43' ' ' ARG . 49.6 mtm180 -73.2 137.89 45.3 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.044 -0.526 . . . . 2.32 110.006 176.437 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 12.3 t80 -67.55 135.08 92.77 Favored Pre-proline 0 C--N 1.325 -0.487 0 CA-C-N 116.312 -0.404 . . . . 1.74 110.445 -177.773 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 59.2 Cg_exo -54.2 -29.59 57.35 Favored 'Trans proline' 0 C--N 1.348 0.545 0 C-N-CA 123.244 2.629 . . . . 1.48 112.905 178.475 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 18.5 mmm180 -114.57 46.91 1.31 Allowed 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 109.324 -0.621 . . . . 4.16 109.324 177.223 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -69.53 154.61 41.74 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.222 -0.899 . . . . 2.56 111.83 -177.791 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -83.98 34.6 0.51 Allowed 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 114.785 -1.098 . . . . 3.54 110.997 178.744 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 91.7 m-85 58.32 69.83 0.7 Allowed 'General case' 0 C--O 1.234 0.283 0 CA-C-N 116.196 -0.457 . . . . 5.19 110.174 -172.775 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.412 HD12 ' N ' ' A' ' 121' ' ' SER . 3.1 tt -103.18 121.68 47.98 Favored Pre-proline 0 C--N 1.322 -0.594 0 CA-C-N 115.745 -0.661 . . . . 1.51 109.45 -174.731 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . 0.429 ' HB3' ' HB2' ' A' ' 79' ' ' LEU . 80.3 Cg_exo -46.8 122.51 6.1 Favored 'Trans proline' 0 C--O 1.234 0.309 0 C-N-CA 123.279 2.653 . . . . 1.69 113.475 179.465 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 48.1 Cg_exo -56.47 161.6 9.31 Favored 'Trans proline' 0 C--N 1.345 0.384 0 C-N-CA 123.026 2.484 . . . . 1.17 111.649 175.484 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.463 HD11 HG23 ' A' ' 73' ' ' ILE . 77.4 mt -99.41 163.15 12.65 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 116.392 -0.367 . . . . 1.22 111.965 -174.724 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -53.66 -43.01 68.46 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.515 -0.766 . . . . 2.12 110.839 177.437 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 55.4 mtpt -129.5 160.61 32.67 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.898 -0.592 . . . . 2.59 110.057 -179.724 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 23.5 m -106.43 -35.32 7.14 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.069 -0.514 . . . . 1.14 109.698 174.43 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 58.8 mtpt -92.67 116.64 29.2 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.578 -0.737 . . . . 2.14 109.788 175.638 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 73.4 m-85 -114.85 125.22 53.41 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 121.015 0.436 . . . . 1.64 110.858 178.25 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.433 ' HB3' ' HB3' ' A' ' 36' ' ' LYS . 10.1 mp -94.79 103.41 15.3 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 108.837 -0.801 . . . . 2.22 108.837 174.033 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.409 ' HA ' ' HD3' ' A' ' 61' ' ' PRO . 15.6 m -110.43 147.1 35.66 Favored Pre-proline 0 C--N 1.322 -0.629 0 CA-C-N 115.951 -0.568 . . . . 0.59 111.731 -173.071 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . 0.409 ' HD3' ' HA ' ' A' ' 60' ' ' VAL . 35.5 Cg_exo -60.1 145.46 98.39 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.828 2.352 . . . . 0.71 112.137 176.279 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . 0.431 ' CG ' ' HB2' ' A' ' 102' ' ' ALA . 9.8 tt0 -58.47 -33.47 69.8 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.122 -0.945 . . . . 1.34 112.233 -177.187 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -99.95 11.61 38.86 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.822 0.344 . . . . 3.07 111.601 -177.582 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.635 ' O ' ' HG2' ' A' ' 101' ' ' MET . 2.2 tm? -73.37 121.43 20.45 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 108.708 -0.849 . . . . 1.44 108.708 177.645 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.472 ' HA ' ' HA ' ' A' ' 100' ' ' THR . 62.6 p -78.83 157.26 28.4 Favored 'General case' 0 C--N 1.32 -0.709 0 N-CA-C 111.935 0.346 . . . . 0.68 111.935 -176.595 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . 0.453 ' HB2' ' HA ' ' A' ' 97' ' ' MET . 83.5 mmm -57.83 -36.26 72.03 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.37 -0.377 . . . . 1.39 111.421 177.168 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 9.0 t -67.24 -34.25 77.05 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.746 0.307 . . . . 1.33 110.889 178.415 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . 0.498 ' O ' HG13 ' A' ' 72' ' ' ILE . 16.6 mm-40 -73.72 -32.75 64.04 Favored 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 120.769 -0.373 . . . . 2.03 110.293 174.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 70.5 t80 -68.89 -36.97 78.7 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.224 0.535 . . . . 1.33 109.661 177.399 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 36.9 tp -54.37 -44.13 71.97 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.0 -1.0 . . . . 1.43 109.638 171.696 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 47.8 t -67.83 -34.23 76.33 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.226 -0.897 . . . . 1.5 110.808 177.709 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.498 HG13 ' O ' ' A' ' 68' ' ' GLN . 73.6 mt -64.09 -48.52 85.49 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 N-CA-C 110.399 -0.223 . . . . 0.46 110.399 176.729 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.517 ' O ' ' HG3' ' A' ' 77' ' ' MET . 55.0 mt -58.74 -42.65 85.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 N-CA-C 110.043 -0.354 . . . . 1.08 110.043 176.254 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 8.5 tpp180 -54.44 -38.96 66.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.775 -0.648 . . . . 3.12 110.685 175.684 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 34.7 m -78.14 -34.89 49.62 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.056 -0.52 . . . . 1.33 111.499 -177.329 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 27.9 mmt180 -88.14 3.59 48.64 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 112.011 0.374 . . . . 3.11 112.011 -174.619 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . 0.517 ' HG3' ' O ' ' A' ' 73' ' ' ILE . 61.9 mtt -61.37 122.93 16.38 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.633 0.254 . . . . 1.28 110.495 175.435 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 87.8 t -65.84 -36.46 77.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 121.296 0.57 . . . . 1.66 110.147 176.608 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.429 ' HB2' ' HB3' ' A' ' 51' ' ' PRO . 50.7 mt -120.0 132.52 55.51 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 115.511 -0.768 . . . . 2.29 108.934 175.551 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . 0.42 HH11 ' HD2' ' A' ' 80' ' ' ARG . 14.2 ttp180 -71.04 121.88 19.03 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 120.938 0.399 . . . . 4.54 111.141 -176.762 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -140.25 136.96 33.86 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 109.132 -0.692 . . . . 2.91 109.132 177.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 11.6 t -133.72 35.51 3.36 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-O 121.816 0.817 . . . . 4.3 110.37 -176.143 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -94.9 19.76 9.79 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.236 -0.893 . . . . 3.64 110.895 -178.16 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . 65.13 153.49 0.06 Allowed 'General case' 0 N--CA 1.469 0.489 0 CA-C-N 114.788 -1.096 . . . . 1.27 111.85 -178.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . 0.424 ' HA ' ' HA ' ' A' ' 121' ' ' SER . 13.9 p90 -157.59 147.09 20.08 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.192 0.52 . . . . 1.38 111.277 179.765 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 97.1 m-85 -100.65 148.24 25.07 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.614 -0.721 . . . . 3.3 111.06 -175.912 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 8.7 mp -113.7 118.92 35.69 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.896 -0.593 . . . . 1.56 110.207 178.376 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 81.7 mt -116.28 150.56 37.4 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 115.694 -0.685 . . . . 1.54 109.491 179.222 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.489 ' HB ' ' HB2' ' A' ' 93' ' ' SER . 84.0 t -101.93 126.32 55.93 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.889 0 C-N-CA 120.599 -0.44 . . . . 1.31 109.93 176.679 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 62.9 t30 54.2 41.71 31.87 Favored 'General case' 0 CA--C 1.532 0.259 0 CA-C-N 115.39 -0.823 . . . . 2.22 110.937 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . 0.446 ' N ' HD22 ' A' ' 91' ' ' ASN . 0.9 OUTLIER 65.01 19.97 11.98 Favored 'General case' 0 N--CA 1.471 0.606 0 CA-C-N 115.305 -0.861 . . . . 2.53 112.884 174.728 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 54.2 tptt -150.78 -67.8 0.19 Allowed 'General case' 0 C--N 1.33 -0.251 0 C-N-CA 119.869 -0.732 . . . . 3.95 112.876 -176.798 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . 0.489 ' HB2' ' HB ' ' A' ' 89' ' ' VAL . 15.1 m -62.41 138.73 58.51 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 112.561 0.578 . . . . 2.32 112.561 -168.378 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -79.03 155.68 28.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.535 -0.757 . . . . 2.04 110.294 178.208 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 34.3 m -113.89 153.07 15.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-O 120.976 0.417 . . . . 4.29 111.328 -179.077 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 31.6 t -97.8 116.87 30.87 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 109.005 -0.739 . . . . 1.9 109.005 172.861 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' MET . . . . . 0.453 ' HA ' ' HB2' ' A' ' 66' ' ' MET . 22.8 ptp -69.14 -15.4 63.41 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.868 0.366 . . . . 2.85 111.756 -174.301 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 30.4 t -90.71 -11.64 39.06 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.001 0.429 . . . . 1.6 110.533 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -77.0 149.01 35.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.868 0.365 . . . . 0.51 111.26 -177.648 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . 0.496 ' O ' HG12 ' A' ' 104' ' ' ILE . 55.7 p -89.13 161.22 16.61 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.881 -0.6 . . . . 0.47 111.26 179.767 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' MET . . . . . 0.635 ' HG2' ' O ' ' A' ' 64' ' ' LEU . 32.9 mmt -55.16 -36.05 65.42 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.684 0.278 . . . . 1.18 110.405 175.41 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . 0.431 ' HB2' ' CG ' ' A' ' 62' ' ' GLN . . . -56.68 -51.65 67.94 Favored 'General case' 0 C--O 1.235 0.325 0 CA-C-N 116.255 -0.429 . . . . 0.39 111.128 177.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 28.8 mt-10 -65.04 -42.85 93.92 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.978 -0.556 . . . . 0.53 110.5 179.027 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . 0.496 HG12 ' O ' ' A' ' 100' ' ' THR . 46.6 mm -60.74 -47.63 92.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-N 115.577 -0.738 . . . . 0.45 110.8 179.418 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' TYR . . . . . 0.48 ' O ' ' HB2' ' A' ' 109' ' ' LYS . 9.6 t80 -62.82 -48.99 76.68 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.327 -0.397 . . . . 1.56 110.537 -179.155 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 22.7 tpt180 -57.34 -33.81 68.12 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.955 -0.566 . . . . 4.23 111.331 -179.146 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -89.47 -51.32 5.61 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 120.717 0.294 . . . . 1.77 111.592 -175.436 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 53.0 m-85 -100.69 16.24 25.58 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 112.581 0.586 . . . . 1.36 112.581 -168.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . 0.48 ' HB2' ' O ' ' A' ' 105' ' ' TYR . 26.2 ttpp -64.0 120.95 12.97 Favored 'General case' 0 C--N 1.325 -0.47 0 C-N-CA 120.956 -0.298 . . . . 1.82 110.438 176.112 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -80.49 -177.55 6.26 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 109.556 -0.535 . . . . 1.35 109.556 177.072 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 44.6 tt0 -66.2 -35.85 81.51 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.029 0.443 . . . . 2.97 110.426 -177.9 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . 0.639 ' HA ' ' OE1' ' A' ' 23' ' ' GLN . 2.9 p30 -73.23 -12.72 60.96 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.809 -0.632 . . . . 0.77 111.343 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 93.43 2.78 65.37 Favored Glycine 0 N--CA 1.446 -0.662 0 C-N-CA 120.869 -0.681 . . . . 0.47 113.544 174.227 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 85.7 m-85 -97.98 154.54 17.62 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 117.357 0.578 . . . . 1.35 111.485 178.691 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 23.8 t -100.99 109.84 26.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 115.917 -0.583 . . . . 1.06 109.592 174.111 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 116' ' ' TYR . . . . . . . . . . . . . 99.5 m-85 -95.78 112.81 24.45 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-O 121.19 0.519 . . . . 1.31 111.063 -176.125 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 117' ' ' MET . . . . . . . . . . . . . 63.0 mtm -118.43 132.57 56.24 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.606 -0.725 . . . . 1.19 110.351 -179.397 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 118' ' ' THR . . . . . 0.496 ' HA ' ' O ' ' A' ' 42' ' ' GLU . 1.5 m -109.79 134.03 52.48 Favored 'General case' 0 C--N 1.313 -1.004 0 CA-C-N 114.892 -1.049 . . . . 0.92 109.326 -175.735 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -129.37 143.09 50.7 Favored 'General case' 0 C--N 1.323 -0.573 0 C-N-CA 120.282 -0.567 . . . . 1.2 111.684 -175.377 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -152.84 146.02 24.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.415 -0.811 . . . . 0.86 109.882 176.455 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . 0.424 ' HA ' ' HA ' ' A' ' 85' ' ' PHE . 23.2 t -59.74 -60.9 3.1 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.924 0.392 . . . . 2.69 110.281 -177.695 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 53.8 tt0 -157.46 130.24 7.52 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 108.985 -0.746 . . . . 4.22 108.985 175.39 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -94.54 96.68 9.62 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 109.426 -0.583 . . . . 6.07 109.426 -178.014 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 3.2 m -129.25 47.79 2.44 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 115.527 -0.761 . . . . 6.51 109.455 176.892 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 84.8 m-85 -120.48 -49.4 2.25 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.429 -0.805 . . . . 8.27 110.091 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.873 0 CA-C-O 118.573 -1.126 . . . . 10.03 110.794 -174.762 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.573 0 N-CA-C 112.143 -0.383 . . . . 29.54 112.143 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 14.5 m -86.19 -19.7 29.66 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.786 0.327 . . . . 29.85 111.228 -177.711 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 87.6 mmm -90.54 120.51 68.94 Favored Pre-proline 0 C--N 1.325 -0.461 0 CA-C-N 116.381 -0.372 . . . . 27.04 110.951 -179.228 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 26.7 Cg_exo -61.85 134.03 47.95 Favored 'Trans proline' 0 C--O 1.234 0.283 0 C-N-CA 122.777 2.318 . . . . 24.48 111.57 176.817 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo -77.2 129.58 10.52 Favored 'Trans proline' 0 N--CA 1.458 -0.571 0 C-N-CA 122.541 2.161 . . . . 22.87 112.254 179.194 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 32.1 Cg_endo -65.26 122.48 10.22 Favored 'Trans proline' 0 C--O 1.234 0.296 0 C-N-CA 122.663 2.242 . . . . 21.43 111.971 178.598 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 27.0 mt-30 -92.63 81.21 4.77 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.184 -0.462 . . . . 20.6 110.374 -179.022 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 34.8 mmtp -70.32 -40.14 74.35 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.199 0.523 . . . . 18.97 110.068 178.868 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 48.8 mm -114.13 96.2 41.3 Favored Pre-proline 0 C--N 1.324 -0.509 0 CA-C-N 115.527 -0.76 . . . . 16.36 109.626 176.234 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 17.4 Cg_exo -67.28 89.73 0.32 Allowed 'Trans proline' 0 N--CA 1.464 -0.214 0 C-N-CA 122.829 2.353 . . . . 15.48 111.691 177.679 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 4.5 p -85.26 45.49 1.19 Allowed 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 121.391 0.615 . . . . 13.76 111.064 -178.791 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.533 ' O ' ' HA ' ' A' ' 14' ' ' LYS . 27.2 m -108.71 23.9 3.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-N 115.812 -0.631 . . . . 11.94 110.612 -178.481 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 82.5 mtt180 -66.79 -45.75 55.3 Favored Pre-proline 0 CA--C 1.54 0.577 0 CA-C-N 115.848 -0.615 . . . . 12.04 112.418 -178.853 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 50.7 Cg_exo -55.12 102.86 0.09 OUTLIER 'Trans proline' 0 C--N 1.361 1.216 0 C-N-CA 122.304 2.003 . . . . 8.79 113.054 179.794 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 76.5 m-85 62.7 15.51 8.14 Favored 'General case' 0 N--CA 1.468 0.433 0 CA-C-N 115.696 -0.684 . . . . 9.33 112.261 179.886 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.533 ' HA ' ' O ' ' A' ' 10' ' ' VAL . 44.5 mmtm 55.21 81.33 0.11 Allowed 'General case' 0 C--O 1.231 0.098 0 CA-C-N 115.95 -0.568 . . . . 8.26 110.968 -174.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 25.7 mt-30 -67.62 85.46 0.19 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.009 -0.541 . . . . 6.53 110.544 -179.81 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 23.7 mmt180 66.69 176.71 0.23 Allowed 'General case' 0 C--O 1.233 0.226 0 CA-C-N 115.62 -0.718 . . . . 6.69 110.418 -176.182 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 31.9 mmtm -116.37 146.92 42.11 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 109.814 -0.439 . . . . 3.96 109.814 177.79 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.626 ' O ' ' HG3' ' A' ' 22' ' ' ARG . 91.8 p -68.09 165.26 18.45 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 109.485 -0.561 . . . . 0.97 109.485 177.786 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.433 HD12 ' HB3' ' A' ' 112' ' ' ASP . 45.7 tp -54.67 -47.55 73.47 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.608 0.718 . . . . 1.11 110.028 -177.04 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -59.79 -51.64 68.86 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-N 114.723 -1.126 . . . . 0.94 111.825 177.074 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 42.2 mm -62.7 -29.37 46.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 C-N-CA 120.734 -0.386 . . . . 1.64 110.748 -178.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.626 ' HG3' ' O ' ' A' ' 18' ' ' SER . 79.7 mtt180 -62.25 -41.61 98.59 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 110.02 -0.363 . . . . 2.59 110.02 178.148 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . 0.467 ' HG2' ' HA ' ' A' ' 112' ' ' ASP . 97.2 mt-30 -62.93 -33.58 75.64 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.355 -0.384 . . . . 2.16 110.48 177.39 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -74.27 -38.46 63.41 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-N 116.502 -0.317 . . . . 2.83 110.946 176.22 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -59.9 -49.38 77.91 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.093 -0.503 . . . . 2.3 109.864 179.613 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.602 HG23 ' O ' ' A' ' 22' ' ' ARG . 21.3 t -62.38 -39.95 86.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 115.758 -0.655 . . . . 1.21 110.578 177.744 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -59.58 -45.59 91.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.201 -0.454 . . . . 0.59 110.824 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -67.22 -48.82 56.87 Favored Glycine 0 N--CA 1.448 -0.564 0 C-N-CA 120.873 -0.679 . . . . 0.65 112.146 178.336 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 83.8 mt -59.59 -47.98 89.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-O 120.558 0.218 . . . . 0.58 111.256 -179.639 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 76.4 ttt180 -65.53 -29.1 69.69 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.917 0.389 . . . . 3.31 111.173 -177.127 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -80.63 -44.15 19.34 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.467 -0.333 . . . . 0.91 111.235 178.899 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 30.9 mmmt -75.35 -36.49 61.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.881 0.372 . . . . 3.0 111.142 -178.119 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 81.6 m-85 -127.35 75.14 77.39 Favored Pre-proline 0 C--N 1.321 -0.673 0 CA-C-N 116.179 -0.464 . . . . 1.49 110.366 -179.573 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 28.1 Cg_endo -62.2 -22.37 74.06 Favored 'Trans proline' 0 C--N 1.346 0.409 0 C-N-CA 122.463 2.109 . . . . 0.74 112.956 -178.221 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . 0.552 ' O ' ' HA ' ' A' ' 61' ' ' PRO . 26.7 t-20 -86.42 -14.78 42.3 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.897 -0.592 . . . . 2.16 111.157 179.865 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 3.9 mptp? -111.45 128.71 56.08 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.164 0.507 . . . . 2.03 111.012 -176.27 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 83.0 mt -105.97 124.64 35.36 Favored Pre-proline 0 C--N 1.319 -0.74 0 CA-C-N 115.616 -0.72 . . . . 0.58 110.292 -179.366 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -78.41 112.29 3.16 Favored 'Trans proline' 0 C--O 1.238 0.522 0 C-N-CA 122.645 2.23 . . . . 0.53 112.864 179.563 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.455 HG12 ' HB ' ' A' ' 115' ' ' VAL . 24.8 m -110.55 150.34 13.09 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 CA-C-N 115.628 -0.714 . . . . 1.39 110.006 178.55 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 71.7 t -123.2 118.4 54.58 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 CA-C-O 120.957 0.408 . . . . 0.4 110.294 179.561 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 61.2 t -97.6 117.1 41.75 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-N 115.95 -0.568 . . . . 1.03 110.205 179.68 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -116.65 142.84 46.37 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 115.484 -0.78 . . . . 2.43 109.782 -177.165 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 25.1 ttp180 -73.91 121.44 20.96 Favored 'General case' 0 N--CA 1.448 -0.529 0 N-CA-C 109.253 -0.647 . . . . 2.32 109.253 177.836 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . 0.598 ' CD1' ' HD2' ' A' ' 45' ' ' PRO . 17.0 t80 -51.49 133.93 34.32 Favored Pre-proline 0 C--N 1.327 -0.376 0 CA-C-N 115.676 -0.693 . . . . 1.74 110.397 -176.707 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.598 ' HD2' ' CD1' ' A' ' 44' ' ' TYR . 18.0 Cg_endo -58.11 -15.3 22.46 Favored 'Trans proline' 0 N--CA 1.478 0.574 0 C-N-CA 123.454 2.77 . . . . 1.48 114.095 -173.536 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 10.4 mmm180 -99.87 -7.71 24.98 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.117 0.484 . . . . 4.16 110.49 179.078 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 12.0 tp10 -88.62 124.48 34.11 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.674 -0.694 . . . . 2.56 110.233 -179.219 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 11.9 p -133.08 -2.83 3.17 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.847 0.356 . . . . 3.54 111.544 -179.27 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 81.5 t80 -88.54 -44.35 10.73 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.936 0.398 . . . . 5.19 110.185 -176.906 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.407 ' HA ' ' HD3' ' A' ' 51' ' ' PRO . 83.6 mt -75.37 124.18 88.98 Favored Pre-proline 0 C--N 1.326 -0.422 0 CA-C-N 115.778 -0.647 . . . . 1.51 111.403 -178.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . 0.428 ' HG2' ' HB2' ' A' ' 79' ' ' LEU . 16.8 Cg_exo -69.58 133.29 25.52 Favored 'Trans proline' 0 C--O 1.234 0.293 0 C-N-CA 122.772 2.315 . . . . 1.69 111.025 171.104 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_exo -52.66 137.15 59.03 Favored 'Trans proline' 0 C--N 1.346 0.401 0 C-N-CA 123.08 2.52 . . . . 1.17 112.979 -179.037 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.404 HD11 HG23 ' A' ' 73' ' ' ILE . 39.4 mt -61.0 160.48 9.8 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-N 115.314 -0.857 . . . . 1.22 110.135 177.226 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 4.0 p-10 -77.81 -2.86 38.55 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.655 0.264 . . . . 2.12 111.11 -176.381 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 46.2 mmtm -141.34 151.42 43.55 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.991 -0.55 . . . . 2.59 109.568 175.653 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 9.9 t -125.05 -28.78 3.4 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 120.741 0.305 . . . . 1.14 110.726 178.228 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 15.4 mtpp -103.21 122.13 44.1 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 109.366 -0.605 . . . . 2.14 109.366 178.582 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 87.0 m-85 -124.81 138.06 54.28 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 120.713 0.292 . . . . 1.64 110.59 -178.373 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.422 HD12 ' O ' ' A' ' 59' ' ' LEU . 3.6 pp -108.71 119.31 39.17 Favored 'General case' 0 C--N 1.32 -0.709 0 N-CA-C 109.06 -0.718 . . . . 2.22 109.06 172.281 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 13.5 m -131.68 145.84 59.25 Favored Pre-proline 0 C--N 1.32 -0.687 0 CA-C-N 115.656 -0.702 . . . . 0.59 110.199 -177.303 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . 0.552 ' HA ' ' O ' ' A' ' 35' ' ' ASN . 20.2 Cg_endo -63.53 150.83 87.5 Favored 'Trans proline' 0 N--CA 1.46 -0.452 0 C-N-CA 122.269 1.979 . . . . 0.71 112.037 179.272 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 6.1 pt20 -62.19 -12.01 17.66 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.685 -0.689 . . . . 1.34 111.771 178.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 5.1 tm-20 -86.99 -15.84 37.54 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.338 0.59 . . . . 3.07 109.626 178.095 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.465 ' O ' ' HG2' ' A' ' 101' ' ' MET . 0.9 OUTLIER -74.4 128.48 35.65 Favored 'General case' 0 N--CA 1.451 -0.376 0 CA-C-N 115.712 -0.676 . . . . 1.44 109.458 -176.761 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 45.1 p -94.78 165.14 12.63 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 115.85 -0.614 . . . . 0.68 111.483 -178.915 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . 0.486 ' HB2' ' O ' ' A' ' 96' ' ' SER . 76.9 mtp -64.21 -32.21 73.71 Favored 'General case' 0 C--N 1.326 -0.45 0 C-N-CA 120.991 -0.284 . . . . 1.39 111.202 178.228 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 12.8 t -67.62 -40.21 84.68 Favored 'General case' 0 C--O 1.235 0.335 0 C-N-CA 120.639 -0.425 . . . . 1.33 110.526 178.887 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 74.7 mm-40 -68.82 -30.25 68.76 Favored 'General case' 0 N--CA 1.454 -0.234 0 CA-C-O 121.065 0.46 . . . . 2.03 110.375 175.543 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . 0.443 ' O ' HG12 ' A' ' 73' ' ' ILE . 41.6 t80 -70.16 -38.75 75.51 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.719 -0.673 . . . . 1.33 110.224 178.556 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.433 ' HG ' ' O ' ' A' ' 66' ' ' MET . 75.5 mt -56.4 -40.72 75.12 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.776 -0.647 . . . . 1.43 110.483 174.838 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 33.2 t -61.54 -38.66 88.25 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.823 -0.626 . . . . 1.5 110.275 176.104 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 71.4 mt -66.39 -43.87 91.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.106 -0.497 . . . . 0.46 110.497 177.496 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.528 ' O ' ' HG3' ' A' ' 77' ' ' MET . 48.8 mm -58.96 -43.7 89.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.102 -0.499 . . . . 1.08 110.552 178.524 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 56.3 ttt180 -58.97 -37.49 76.92 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.881 -0.599 . . . . 3.12 110.415 178.042 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 23.0 m -78.88 -19.09 52.79 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.945 -0.57 . . . . 1.33 111.379 -179.502 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . 0.608 ' HA ' ' NE ' ' A' ' 76' ' ' ARG . 0.5 OUTLIER -97.22 3.33 51.48 Favored 'General case' 0 C--O 1.238 0.495 0 CA-C-O 121.398 0.618 . . . . 3.11 110.631 -175.813 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . 0.528 ' HG3' ' O ' ' A' ' 73' ' ' ILE . 55.8 mtt -72.49 133.0 44.59 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.445 -0.798 . . . . 1.28 110.95 -179.819 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 46.1 t -79.12 -32.44 15.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-N 115.799 -0.637 . . . . 1.66 109.521 174.54 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.428 ' HB2' ' HG2' ' A' ' 51' ' ' PRO . 28.5 tp -86.87 119.67 27.33 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.459 -0.792 . . . . 2.29 108.974 176.205 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 32.4 tpt180 -78.12 128.84 34.41 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 120.801 0.334 . . . . 4.54 111.606 -173.136 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . 68.38 31.45 5.01 Favored 'General case' 0 C--O 1.232 0.183 0 CA-C-N 115.255 -0.884 . . . . 2.91 111.969 174.07 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 15.3 t -92.49 36.49 1.0 Allowed 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 122.151 0.977 . . . . 4.3 109.406 174.522 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.435 ' HG2' ' H ' ' A' ' 83' ' ' GLU . 4.9 pt-20 -74.87 83.32 2.18 Favored 'General case' 0 N--CA 1.44 -0.947 0 CA-C-N 114.556 -1.202 . . . . 3.64 112.442 -174.655 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -173.32 98.61 0.12 Allowed 'General case' 0 C--N 1.315 -0.92 0 CA-C-N 114.697 -1.138 . . . . 1.27 109.369 176.34 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . 0.44 ' HA ' ' HA ' ' A' ' 121' ' ' SER . 4.6 p90 -172.94 152.71 2.44 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 115.613 -0.721 . . . . 1.38 110.7 -172.1 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 71.5 m-85 -108.02 155.88 19.86 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.923 -0.58 . . . . 3.3 109.865 178.403 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 36.4 tp -121.06 123.57 42.68 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.412 -0.358 . . . . 1.56 110.482 -178.332 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 82.5 mt -112.7 129.3 56.45 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.017 -0.538 . . . . 1.54 109.832 178.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.412 ' HB ' ' HB3' ' A' ' 93' ' ' SER . 40.4 t -111.1 116.78 53.41 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 CA-C-O 120.65 0.262 . . . . 1.31 111.283 -177.203 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 57.69 31.16 20.0 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-N 115.609 -0.723 . . . . 2.22 111.422 174.634 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 23.9 t-20 67.75 -4.12 1.03 Allowed 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 122.892 0.477 . . . . 2.53 112.259 177.209 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 31.0 mmtp -113.86 -58.01 2.21 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 121.747 -0.595 . . . . 3.95 111.944 -172.032 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . 0.412 ' HB3' ' HB ' ' A' ' 89' ' ' VAL . 0.7 OUTLIER -81.94 128.74 34.38 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 109.688 -0.486 . . . . 2.32 109.688 -176.418 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.548 HD12 ' O ' ' A' ' 94' ' ' LEU . 1.3 pp -119.42 122.96 42.93 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.831 0.348 . . . . 2.04 111.663 -177.341 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 11.4 p 37.21 49.98 0.26 Allowed 'Isoleucine or valine' 0 CA--C 1.542 0.64 0 C-N-CA 124.432 1.093 . . . . 4.29 112.621 177.268 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . 0.486 ' O ' ' HB2' ' A' ' 66' ' ' MET . 5.4 m -79.78 88.11 5.24 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.59 -0.732 . . . . 1.9 109.821 179.251 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 85.7 mtp -71.42 -27.81 63.56 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.798 -0.637 . . . . 2.85 111.613 -171.881 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 20.4 m -94.56 0.62 55.37 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 116.332 -0.395 . . . . 1.6 111.403 -176.447 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -85.15 136.2 33.64 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.927 0.394 . . . . 0.51 111.113 -178.41 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 72.2 p -88.36 156.9 18.9 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.046 -0.525 . . . . 0.47 110.097 176.706 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' MET . . . . . 0.465 ' HG2' ' O ' ' A' ' 64' ' ' LEU . 24.1 mmt -61.61 -28.78 69.61 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.678 -0.237 . . . . 1.18 110.812 177.342 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.76 -49.91 75.6 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.335 -0.393 . . . . 0.39 110.553 177.691 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 32.3 mt-10 -65.24 -45.79 83.21 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.903 -0.59 . . . . 0.53 110.673 178.769 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 39.0 mm -61.02 -47.72 92.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-N 115.399 -0.819 . . . . 0.45 111.299 -178.476 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' TYR . . . . . 0.439 ' HE1' ' O ' ' A' ' 113' ' ' GLY . 50.7 t80 -63.93 -38.86 92.62 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.949 0.404 . . . . 1.56 110.391 179.314 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 40.2 ttp180 -55.78 -45.57 78.12 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.524 -0.762 . . . . 4.23 111.103 -177.246 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -98.92 -45.07 6.1 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.917 -0.583 . . . . 1.77 111.647 -173.504 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 66.2 m-85 -100.73 15.78 27.14 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 113.085 0.772 . . . . 1.36 113.085 -168.571 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . 0.414 ' HB3' ' O ' ' A' ' 105' ' ' TYR . 21.2 pttm -55.25 134.28 49.76 Favored 'General case' 0 C--O 1.238 0.449 0 N-CA-C 109.64 -0.504 . . . . 1.82 109.64 171.563 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . 0.585 ' OD1' ' HG2' ' A' ' 111' ' ' GLU . 5.4 t70 -84.06 -177.65 6.73 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.541 -0.299 . . . . 1.35 110.7 -175.095 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . 0.585 ' HG2' ' OD1' ' A' ' 110' ' ' ASP . 10.3 pt-20 -64.68 -33.07 75.08 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.951 0.405 . . . . 2.97 111.685 -173.673 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . 0.467 ' HA ' ' HG2' ' A' ' 23' ' ' GLN . 4.7 p30 -87.67 -12.35 45.69 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.79 0.328 . . . . 0.77 111.204 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . 0.439 ' O ' ' HE1' ' A' ' 105' ' ' TYR . . . 109.1 -16.72 32.56 Favored Glycine 0 N--CA 1.449 -0.434 0 C-N-CA 120.559 -0.829 . . . . 0.47 113.233 177.532 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' PHE . . . . . 0.432 ' HB2' ' CE1' ' A' ' 116' ' ' TYR . 56.6 m-85 -78.41 157.65 28.95 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 117.351 0.576 . . . . 1.35 110.284 178.172 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . 0.455 ' HB ' HG12 ' A' ' 39' ' ' VAL . 23.9 t -100.66 108.8 23.85 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 N-CA-C 109.451 -0.574 . . . . 1.06 109.451 173.888 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 116' ' ' TYR . . . . . 0.432 ' CE1' ' HB2' ' A' ' 114' ' ' PHE . 80.3 m-85 -92.8 123.14 35.86 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 121.301 0.572 . . . . 1.31 111.167 -176.598 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 117' ' ' MET . . . . . . . . . . . . . 59.8 mtt -119.92 130.27 54.74 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.222 -0.899 . . . . 1.19 110.021 -179.811 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 2.3 p -101.76 133.44 46.5 Favored 'General case' 0 C--N 1.314 -0.964 0 CA-C-N 115.821 -0.627 . . . . 0.92 110.127 178.275 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 2.4 p90 -122.2 141.9 50.98 Favored 'General case' 0 C--N 1.32 -0.676 0 C-N-CA 120.645 -0.422 . . . . 1.2 110.161 178.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -154.09 146.96 24.38 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.805 -0.634 . . . . 0.86 109.994 -177.783 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . 0.44 ' HA ' ' HA ' ' A' ' 85' ' ' PHE . 19.6 t -72.42 -32.92 66.73 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.117 -0.492 . . . . 2.69 109.851 -177.626 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 19.8 pt20 -140.45 149.15 42.19 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.83 -0.623 . . . . 4.22 109.781 177.538 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -94.47 155.5 16.91 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.937 -0.574 . . . . 6.07 110.62 -179.179 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 14.4 p -86.29 53.38 2.78 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 109.236 -0.653 . . . . 6.51 109.236 171.799 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 86.6 m-85 66.97 179.76 0.22 Allowed 'General case' 0 C--O 1.235 0.311 0 CA-C-N 114.847 -1.069 . . . . 8.27 110.785 -173.374 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.032 0 CA-C-O 118.602 -1.11 . . . . 10.03 112.253 -177.529 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.839 0 N-CA-C 111.784 -0.526 . . . . 29.54 111.784 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 15.4 p -89.19 124.86 34.76 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 120.724 0.297 . . . . 29.85 110.525 177.866 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.5 ttt -87.47 120.79 71.29 Favored Pre-proline 0 C--N 1.323 -0.566 0 CA-C-N 116.24 -0.437 . . . . 27.04 110.231 179.361 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 12.5 Cg_exo -70.22 132.59 22.9 Favored 'Trans proline' 0 N--CA 1.462 -0.369 0 C-N-CA 122.435 2.09 . . . . 24.48 111.349 175.737 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_exo -53.75 123.08 12.52 Favored 'Trans proline' 0 C--N 1.344 0.317 0 C-N-CA 122.443 2.096 . . . . 22.87 110.899 174.347 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 92.9 Cg_exo -43.88 116.49 0.95 Allowed 'Trans proline' 0 C--N 1.347 0.449 0 C-N-CA 123.796 2.997 . . . . 21.43 113.588 -173.604 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 55.4 mt-30 -85.72 -26.18 26.04 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.893 -0.594 . . . . 20.6 109.903 177.239 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 31.6 mmmt -76.45 144.03 40.17 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.776 -0.647 . . . . 18.97 109.9 177.172 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 6.7 tp -124.16 92.86 47.7 Favored Pre-proline 0 C--N 1.32 -0.711 0 CA-C-O 121.762 0.791 . . . . 16.36 110.045 178.17 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 33.3 Cg_exo -59.57 -50.88 7.14 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 123.193 2.596 . . . . 15.48 112.678 -178.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 15.2 m -91.15 108.73 20.07 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.407 -0.36 . . . . 13.76 110.875 -178.339 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 87.4 t -70.36 109.26 2.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 N-CA-C 109.945 -0.391 . . . . 11.94 109.945 176.847 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 45.2 ttp180 -111.05 111.58 56.01 Favored Pre-proline 0 C--N 1.32 -0.688 0 CA-C-N 115.851 -0.613 . . . . 12.04 110.606 -176.014 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.407 ' HB2' ' HB2' ' A' ' 15' ' ' GLN . 73.8 Cg_endo -76.36 82.6 2.2 Favored 'Trans proline' 0 N--CA 1.461 -0.419 0 C-N-CA 122.701 2.267 . . . . 8.79 112.043 179.851 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 21.1 p90 -70.9 -25.39 62.75 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.843 -0.617 . . . . 9.33 111.812 -176.483 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 72.2 mmtt -76.9 -27.48 54.96 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.94 0.4 . . . . 8.26 110.848 177.582 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.407 ' HB2' ' HB2' ' A' ' 12' ' ' PRO . 86.5 mt-30 -89.36 80.88 6.71 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 109.416 -0.587 . . . . 6.53 109.416 176.603 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -64.31 -44.76 90.57 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.812 -0.631 . . . . 6.69 110.298 -179.367 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 29.3 mmmt -119.06 124.71 47.58 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 109.375 -0.602 . . . . 3.96 109.375 177.712 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.631 ' O ' ' HG3' ' A' ' 22' ' ' ARG . 92.3 p -75.29 161.43 29.31 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.586 -0.279 . . . . 0.97 110.417 -178.836 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.406 HD12 ' HB3' ' A' ' 112' ' ' ASP . 36.1 tp -55.72 -47.02 77.6 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.498 0.666 . . . . 1.11 110.097 -178.267 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -60.54 -49.21 78.47 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 114.912 -1.04 . . . . 0.94 112.117 178.55 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.56 ' O ' ' HG2' ' A' ' 25' ' ' GLU . 65.2 mt -67.01 -28.89 44.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 C-N-CA 120.58 -0.448 . . . . 1.64 111.076 -179.457 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.631 ' HG3' ' O ' ' A' ' 18' ' ' SER . 95.8 mtt180 -64.6 -39.93 94.6 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 109.664 -0.495 . . . . 2.59 109.664 177.561 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 6.5 tp-100 -61.77 -32.6 72.88 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.809 -0.632 . . . . 2.16 109.529 176.043 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.417 ' HB2' ' O ' ' A' ' 21' ' ' ILE . 28.9 mm-40 -70.97 -47.65 57.72 Favored 'General case' 0 CA--C 1.519 -0.214 0 CA-C-N 115.847 -0.615 . . . . 2.83 110.776 176.32 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.56 ' HG2' ' O ' ' A' ' 21' ' ' ILE . 20.5 mm-40 -57.44 -48.96 77.77 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.517 -0.765 . . . . 2.3 110.721 179.055 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -65.98 -37.53 80.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.991 0.424 . . . . 1.21 110.189 -179.091 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -60.75 -45.56 93.81 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.544 -0.753 . . . . 0.59 110.305 175.831 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -67.96 -41.24 88.18 Favored Glycine 0 N--CA 1.448 -0.504 0 CA-C-N 115.903 -0.59 . . . . 0.65 112.372 179.041 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.407 HG13 ' O ' ' A' ' 25' ' ' GLU . 93.6 mt -63.07 -47.63 91.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-O 120.548 0.213 . . . . 0.58 110.655 178.005 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 44.4 ttp180 -70.64 -24.73 62.77 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.824 0.345 . . . . 3.31 111.252 -178.002 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -78.18 -30.4 49.04 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.895 0.378 . . . . 0.91 111.025 178.35 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 5.5 mptp? -92.08 -39.25 11.72 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.25 -0.432 . . . . 3.0 110.892 179.707 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 45.6 m-85 -127.98 85.17 61.28 Favored Pre-proline 0 C--N 1.324 -0.533 0 CA-C-N 116.054 -0.521 . . . . 1.49 110.04 -179.039 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 55.8 Cg_endo -71.48 -26.12 20.53 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.556 2.171 . . . . 0.74 112.869 -178.14 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 11.3 m120 -97.61 -7.49 31.0 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.008 -0.542 . . . . 2.16 111.311 -175.302 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 63.5 mttm -100.68 138.31 37.9 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.004 0.43 . . . . 2.03 110.304 177.127 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 89.9 mt -104.22 121.81 46.24 Favored Pre-proline 0 C--N 1.318 -0.799 0 CA-C-N 115.851 -0.613 . . . . 0.58 111.076 -175.777 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -82.8 103.31 1.2 Allowed 'Trans proline' 0 N--CA 1.458 -0.571 0 C-N-CA 122.72 2.28 . . . . 0.53 112.25 176.54 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 7.6 p -111.02 132.7 58.79 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 CA-C-N 115.897 -0.592 . . . . 1.39 110.458 178.786 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 49.9 t -105.74 108.23 24.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 116.005 -0.543 . . . . 0.4 109.726 178.864 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 42.0 t -102.88 121.85 54.54 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.747 0 CA-C-N 115.821 -0.627 . . . . 1.03 110.274 -177.578 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.588 ' O ' ' HA ' ' A' ' 118' ' ' THR . 41.2 mt-10 -128.03 154.61 45.46 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.982 -0.553 . . . . 2.43 109.706 178.053 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 22.8 ptt180 -78.01 152.24 33.16 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.359 -0.382 . . . . 2.32 110.388 -178.69 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . 0.562 ' HB3' ' HB2' ' A' ' 47' ' ' GLU . 2.6 t80 -53.4 133.37 53.08 Favored Pre-proline 0 C--N 1.326 -0.426 0 CA-C-N 115.204 -0.907 . . . . 1.74 110.718 -179.243 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.407 ' HB2' ' NH1' ' A' ' 46' ' ' ARG . 29.7 Cg_endo -63.06 -7.73 12.4 Favored 'Trans proline' 0 CA--C 1.531 0.365 0 C-N-CA 123.171 2.581 . . . . 1.48 113.199 -176.432 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.407 ' NH1' ' HB2' ' A' ' 45' ' ' PRO . 28.8 mmt180 -121.64 11.53 10.55 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.851 0.358 . . . . 4.16 110.473 178.533 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.562 ' HB2' ' HB3' ' A' ' 44' ' ' TYR . 10.6 tp10 -88.23 150.2 23.41 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.122 0.487 . . . . 2.56 110.688 -178.734 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 85.7 m -134.9 -36.53 0.83 Allowed 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.692 -0.686 . . . . 3.54 110.758 179.762 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 91.9 t80 -63.92 -37.76 88.6 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.811 -0.631 . . . . 5.19 111.048 -178.276 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 98.7 mt -100.69 112.78 65.2 Favored Pre-proline 0 C--N 1.324 -0.501 0 CA-C-N 116.055 -0.521 . . . . 1.51 110.999 -179.779 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_exo -76.78 160.25 34.38 Favored 'Trans proline' 0 N--CA 1.462 -0.364 0 C-N-CA 123.205 2.603 . . . . 1.69 111.499 174.182 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 33.2 Cg_exo -58.7 137.7 81.56 Favored 'Trans proline' 0 C--N 1.346 0.427 0 C-N-CA 122.653 2.236 . . . . 1.17 111.38 176.543 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.416 ' HG ' ' OH ' ' A' ' 119' ' ' TYR . 52.0 mt -72.84 170.98 13.55 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.087 -0.506 . . . . 1.22 111.587 -175.505 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.47 ' HB3' ' HG3' ' A' ' 76' ' ' ARG . 2.4 t70 -58.86 -35.86 73.67 Favored 'General case' 0 C--O 1.236 0.366 0 CA-C-O 121.078 0.466 . . . . 2.12 110.724 177.127 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 6.3 tptp -124.03 141.26 52.2 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.892 -0.594 . . . . 2.59 109.82 -179.267 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.402 HG23 ' HG3' ' A' ' 57' ' ' LYS . 15.3 t -109.11 -23.01 11.86 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.049 0.452 . . . . 1.14 109.853 176.88 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.402 ' HG3' HG23 ' A' ' 56' ' ' THR . 98.0 mttt -110.9 118.33 35.8 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 109.864 -0.421 . . . . 2.14 109.864 176.131 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 94.2 m-85 -112.16 136.09 51.99 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 116.368 -0.378 . . . . 1.64 110.201 179.246 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 98.6 mt -104.51 104.34 14.18 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 109.088 -0.708 . . . . 2.22 109.088 173.711 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 24.5 m -116.84 146.14 37.11 Favored Pre-proline 0 C--N 1.32 -0.675 0 CA-C-N 116.074 -0.512 . . . . 0.59 110.987 -176.275 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_endo -70.47 159.25 53.51 Favored 'Trans proline' 0 N--CA 1.464 -0.259 0 C-N-CA 122.388 2.059 . . . . 0.71 111.592 176.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . 0.479 ' HB3' ' HB2' ' A' ' 102' ' ' ALA . 42.8 mt-30 -64.48 -17.28 63.71 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.716 -0.674 . . . . 1.34 111.769 -176.318 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 42.7 tt0 -86.53 -10.23 54.49 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.079 0.466 . . . . 3.07 110.629 -178.332 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.42 HD22 ' HA ' ' A' ' 64' ' ' LEU . 0.6 OUTLIER -72.61 121.26 19.45 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.816 -0.629 . . . . 1.44 109.785 -176.536 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.454 HG22 HG22 ' A' ' 100' ' ' THR . 82.6 p -92.14 167.59 11.95 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.235 -0.439 . . . . 0.68 111.28 179.887 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . 0.503 ' O ' ' HG ' ' A' ' 70' ' ' LEU . 60.8 mtp -60.98 -37.97 84.34 Favored 'General case' 0 C--N 1.328 -0.333 0 C-N-CA 120.75 -0.38 . . . . 1.39 110.578 177.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 47.7 m -57.95 -49.89 75.23 Favored 'General case' 0 C--O 1.238 0.481 0 CA-C-O 121.265 0.555 . . . . 1.33 111.009 177.659 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . 0.405 ' O ' HG13 ' A' ' 72' ' ' ILE . 91.6 mt-30 -67.5 -30.65 70.39 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.823 -0.626 . . . . 2.03 110.486 -179.371 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . 0.421 ' O ' HG12 ' A' ' 73' ' ' ILE . 32.4 t80 -70.24 -37.86 75.06 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.8 -0.636 . . . . 1.33 110.203 179.568 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.503 ' HG ' ' O ' ' A' ' 66' ' ' MET . 78.2 mt -55.75 -43.76 76.97 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.807 -0.633 . . . . 1.43 110.363 175.833 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 19.6 m -61.81 -40.95 97.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.056 -0.52 . . . . 1.5 110.671 176.085 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.405 HG13 ' O ' ' A' ' 68' ' ' GLN . 68.6 mt -64.33 -41.85 93.61 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.181 0 CA-C-N 116.311 -0.404 . . . . 0.46 110.563 178.281 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.421 HG12 ' O ' ' A' ' 69' ' ' PHE . 39.4 mm -59.13 -43.62 89.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.085 -0.507 . . . . 1.08 110.519 177.037 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 60.7 ttp180 -64.93 -30.55 71.55 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.129 -0.487 . . . . 3.12 110.462 178.162 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 19.5 m -73.79 -19.35 60.79 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.208 -0.451 . . . . 1.33 110.659 178.001 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . 0.47 ' HG3' ' HB3' ' A' ' 54' ' ' ASP . 0.1 OUTLIER -104.63 3.75 32.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.96 0.409 . . . . 3.11 110.606 -178.501 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 13.2 mmt -64.01 130.89 45.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.856 -0.611 . . . . 1.28 110.439 176.56 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 61.1 t -68.57 -30.32 46.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 115.853 -0.612 . . . . 1.66 110.418 179.005 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.56 HD13 ' H ' ' A' ' 79' ' ' LEU . 0.0 OUTLIER -127.57 145.61 50.8 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.594 -0.73 . . . . 2.29 109.417 176.829 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 4.6 tpp180 -75.85 119.85 20.4 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.854 0.359 . . . . 4.54 110.826 -178.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -153.3 135.21 14.65 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.554 -0.748 . . . . 2.91 109.763 176.905 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 3.6 m -109.2 25.67 11.53 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-O 121.959 0.885 . . . . 4.3 109.596 178.692 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 11.4 tp10 -63.04 143.96 57.31 Favored 'General case' 0 N--CA 1.451 -0.381 0 CA-C-N 115.06 -0.973 . . . . 3.64 109.732 176.576 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -78.93 111.45 15.12 Favored 'General case' 0 C--N 1.317 -0.805 0 N-CA-C 109.901 -0.407 . . . . 1.27 109.901 179.218 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 8.1 p90 -125.94 152.26 45.88 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 115.658 -0.701 . . . . 1.38 109.789 -177.412 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 85.9 m-85 -104.02 139.13 39.57 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-O 121.018 0.437 . . . . 3.3 111.299 -173.728 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 45.8 tp -109.99 116.15 31.07 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.681 -0.691 . . . . 1.56 109.817 176.647 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -101.02 142.91 31.81 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-N 115.904 -0.589 . . . . 1.54 110.185 -179.576 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 31.7 t -102.77 113.57 39.81 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.713 0 N-CA-C 109.389 -0.597 . . . . 1.31 109.389 177.351 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 15.2 m120 56.05 30.17 15.79 Favored 'General case' 0 N--CA 1.465 0.313 0 O-C-N 123.609 0.568 . . . . 2.22 110.577 -176.38 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 88.5 m-20 61.21 17.28 8.02 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-N 115.494 -0.776 . . . . 2.53 111.392 -178.095 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 68.0 mttm -112.61 -72.43 0.71 Allowed 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.634 0.254 . . . . 3.95 111.407 -178.78 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 6.3 m -74.78 139.67 43.49 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.269 -0.423 . . . . 2.32 111.702 -173.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 52.4 tp -95.77 158.38 15.48 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.722 -0.672 . . . . 2.04 109.342 175.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 9.0 m -49.55 121.6 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.154 0 CA-C-O 121.249 0.547 . . . . 4.29 112.458 -178.733 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 44.8 t -118.11 124.32 47.75 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.667 -0.697 . . . . 1.9 109.254 174.698 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 63.2 mtt -77.89 -1.89 34.02 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.0 0.429 . . . . 2.85 111.041 -178.4 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 19.5 t -109.05 -11.0 15.0 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.044 -0.526 . . . . 1.6 110.304 178.351 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -85.47 132.17 34.25 Favored 'General case' 0 C--O 1.235 0.338 0 CA-C-O 120.912 0.387 . . . . 0.51 111.466 -176.628 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . 0.454 HG22 HG22 ' A' ' 65' ' ' THR . 59.4 p -96.29 151.18 19.76 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.712 -0.676 . . . . 0.47 109.51 174.609 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' MET . . . . . 0.438 ' HE1' ' HA ' ' A' ' 66' ' ' MET . 0.0 OUTLIER -63.01 -24.49 67.94 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.297 -0.411 . . . . 1.18 111.045 178.088 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . 0.479 ' HB2' ' HB3' ' A' ' 62' ' ' GLN . . . -59.26 -51.41 70.06 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.016 0.436 . . . . 0.39 110.477 175.841 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 25.4 mt-10 -64.94 -44.34 89.77 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.712 -0.676 . . . . 0.53 110.325 178.875 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . 0.415 HG12 ' O ' ' A' ' 100' ' ' THR . 48.1 mm -59.51 -48.06 88.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 115.333 -0.849 . . . . 0.45 111.077 -179.49 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 63.4 t80 -57.81 -51.98 67.35 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.183 -0.462 . . . . 1.56 111.067 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 59.2 ttt180 -56.68 -37.86 71.44 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.766 -0.652 . . . . 4.23 111.606 -175.039 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -93.38 -50.65 5.35 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 112.051 0.389 . . . . 1.77 112.051 -174.265 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 85.7 m-85 -96.22 10.78 36.73 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 113.38 0.881 . . . . 1.36 113.38 -167.564 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 55.9 pttt -57.22 126.94 29.49 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 109.494 -0.558 . . . . 1.82 109.494 171.075 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -73.58 -178.61 3.16 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.284 -0.417 . . . . 1.35 110.386 -174.108 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 16.1 mm-40 -55.85 -40.19 72.51 Favored 'General case' 0 C--O 1.236 0.343 0 CA-C-O 120.709 0.29 . . . . 2.97 111.429 -176.515 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . 0.406 ' HB3' HD12 ' A' ' 19' ' ' LEU . 3.0 p30 -77.68 -11.81 59.91 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.188 -0.46 . . . . 0.77 111.653 -178.472 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 108.76 -22.25 26.31 Favored Glycine 0 N--CA 1.45 -0.428 0 C-N-CA 120.7 -0.762 . . . . 0.47 113.093 176.186 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' PHE . . . . . 0.422 ' HB2' ' CE1' ' A' ' 116' ' ' TYR . 84.2 m-85 -79.73 152.34 29.91 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.948 0.404 . . . . 1.35 110.892 -178.381 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 42.4 t -96.16 109.99 23.77 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 N-CA-C 109.341 -0.614 . . . . 1.06 109.341 175.198 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 116' ' ' TYR . . . . . 0.422 ' CE1' ' HB2' ' A' ' 114' ' ' PHE . 81.1 m-85 -95.32 122.38 37.97 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-O 121.051 0.453 . . . . 1.31 110.841 -177.237 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 117' ' ' MET . . . . . . . . . . . . . 65.2 mtt -119.17 155.22 32.03 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 115.816 -0.629 . . . . 1.19 110.242 179.696 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 118' ' ' THR . . . . . 0.588 ' HA ' ' O ' ' A' ' 42' ' ' GLU . 97.6 m -136.22 133.43 37.06 Favored 'General case' 0 C--N 1.315 -0.919 0 CA-C-N 115.756 -0.657 . . . . 0.92 110.037 -176.771 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 119' ' ' TYR . . . . . 0.416 ' OH ' ' HG ' ' A' ' 53' ' ' LEU . 14.3 p90 -118.91 141.76 48.37 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-O 120.958 0.409 . . . . 1.2 110.798 -178.75 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . 0.489 ' HB2' ' HB2' ' A' ' 44' ' ' TYR . . . -143.17 157.38 44.56 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.614 -0.721 . . . . 0.86 110.022 179.496 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 24.0 t -63.17 -68.0 0.38 Allowed 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 110.175 -0.305 . . . . 2.69 110.175 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 54.0 mt-30 -145.69 131.59 19.15 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.461 -0.336 . . . . 4.22 110.205 178.835 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -93.74 72.36 4.23 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 121.04 0.448 . . . . 6.07 110.053 177.021 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 27.2 p -76.16 67.13 2.41 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.855 -0.611 . . . . 6.51 110.441 178.639 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 40.9 t80 -148.02 174.37 11.97 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.573 -0.74 . . . . 8.27 109.468 -177.247 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.946 0 CA-C-O 118.276 -1.291 . . . . 10.03 111.493 -179.929 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.785 0 N-CA-C 111.9 -0.48 . . . . 29.54 111.9 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 13.5 p -82.92 143.75 30.5 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 120.742 0.306 . . . . 29.85 110.249 177.867 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 50.1 tpp -94.42 120.55 65.01 Favored Pre-proline 0 C--N 1.324 -0.538 0 CA-C-N 116.365 -0.379 . . . . 27.04 110.292 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_exo -58.32 133.46 55.14 Favored 'Trans proline' 0 C--O 1.234 0.282 0 C-N-CA 122.61 2.207 . . . . 24.48 111.365 176.512 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 13.2 Cg_endo -56.75 140.57 91.31 Favored 'Trans proline' 0 C--N 1.345 0.349 0 C-N-CA 122.661 2.241 . . . . 22.87 111.639 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 35.6 Cg_endo -65.35 88.55 0.2 Allowed 'Trans proline' 0 CA--C 1.53 0.309 0 C-N-CA 122.897 2.398 . . . . 21.43 112.836 -176.565 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 13.4 pt20 -68.98 145.31 53.7 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.004 -0.544 . . . . 20.6 110.513 179.211 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 46.7 mttp -130.34 120.2 23.96 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.3 -0.409 . . . . 18.97 110.613 -175.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 43.5 mm -100.79 110.3 60.34 Favored Pre-proline 0 C--N 1.323 -0.544 0 N-CA-C 109.269 -0.641 . . . . 16.36 109.269 175.89 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 92.2 Cg_endo -80.49 37.02 0.65 Allowed 'Trans proline' 0 C--O 1.232 0.215 0 C-N-CA 123.008 2.472 . . . . 15.48 113.552 -172.157 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 8.2 t -170.5 -69.55 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 C-N-CA 121.204 -0.199 . . . . 13.76 110.66 178.664 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.454 ' O ' ' HD3' ' A' ' 12' ' ' PRO . 58.4 t 68.86 102.68 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.464 0.255 0 CA-C-O 121.12 0.486 . . . . 11.94 110.551 -176.92 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -109.52 97.35 26.85 Favored Pre-proline 0 C--N 1.323 -0.556 0 CA-C-N 116.11 -0.496 . . . . 12.04 111.088 179.045 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.454 ' HD3' ' O ' ' A' ' 10' ' ' VAL . 10.4 Cg_exo -71.57 137.69 30.84 Favored 'Trans proline' 0 N--CA 1.459 -0.508 0 C-N-CA 122.534 2.156 . . . . 8.79 110.689 174.031 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 12.7 m-85 -78.57 96.52 5.49 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 121.214 0.53 . . . . 9.33 110.308 -175.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 33.1 mmtp -71.57 -50.73 28.25 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.48 -0.782 . . . . 8.26 110.838 -176.172 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 8.7 tt0 -87.41 -59.72 2.17 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.909 -0.587 . . . . 6.53 109.967 -179.706 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 39.8 ttm180 -176.53 -52.11 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.734 -0.666 . . . . 6.69 109.438 179.828 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 23.1 pttm -119.17 147.39 44.26 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.991 -0.549 . . . . 3.96 109.982 175.419 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.591 ' O ' ' HG3' ' A' ' 22' ' ' ARG . 77.9 p -91.71 -178.13 4.97 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 116.115 -0.493 . . . . 0.97 110.342 -179.654 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.402 ' O ' ' HB2' ' A' ' 22' ' ' ARG . 29.8 tp -63.85 -45.04 91.3 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.356 0.598 . . . . 1.11 109.667 176.418 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -60.58 -40.91 93.45 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.291 -0.868 . . . . 0.94 111.431 177.406 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.409 HG13 ' OG ' ' A' ' 18' ' ' SER . 50.5 mt -66.64 -33.01 60.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 C-N-CA 120.442 -0.503 . . . . 1.64 110.532 176.622 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.591 ' HG3' ' O ' ' A' ' 18' ' ' SER . 97.4 mtt180 -57.96 -43.66 86.58 Favored 'General case' 0 CA--C 1.52 -0.192 0 N-CA-C 109.252 -0.648 . . . . 2.59 109.252 177.753 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 6.5 tp-100 -60.55 -39.94 89.77 Favored 'General case' 0 N--CA 1.452 -0.349 0 CA-C-N 115.007 -0.997 . . . . 2.16 110.483 179.129 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -73.84 -49.71 23.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.085 0.469 . . . . 2.83 111.408 -179.315 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.421 ' O ' HG13 ' A' ' 29' ' ' ILE . 39.6 tt0 -58.17 -47.82 82.18 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 115.318 -0.855 . . . . 2.3 111.005 -177.591 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 2.3 p -63.34 -40.87 90.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 121.089 0.471 . . . . 1.21 110.313 179.041 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -59.14 -47.71 84.29 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.093 -0.958 . . . . 0.59 110.672 178.046 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -63.14 -46.72 92.63 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 121.116 -0.564 . . . . 0.65 112.563 178.617 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.421 HG13 ' O ' ' A' ' 25' ' ' GLU . 68.9 mt -61.62 -49.31 84.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.648 0.261 . . . . 0.58 111.145 -179.058 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 31.8 tpt180 -67.85 -27.02 66.33 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.317 -0.401 . . . . 3.31 111.315 -176.257 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -80.29 -37.56 32.53 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.181 0.515 . . . . 0.91 110.801 178.477 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 35.0 ttpt -78.07 -31.77 50.36 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.7 -0.682 . . . . 3.0 110.844 -178.191 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 84.5 m-85 -127.0 86.26 59.29 Favored Pre-proline 0 C--N 1.325 -0.486 0 CA-C-N 116.208 -0.451 . . . . 1.49 110.636 178.253 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 38.0 Cg_endo -67.66 -22.26 44.17 Favored 'Trans proline' 0 C--N 1.343 0.239 0 C-N-CA 122.665 2.243 . . . . 0.74 112.713 -178.515 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . 0.46 ' O ' ' HG3' ' A' ' 62' ' ' GLN . 28.1 t-20 -89.51 -13.25 37.84 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.791 -0.64 . . . . 2.16 110.81 -179.578 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 63.1 mttm -111.36 151.37 28.52 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.244 0.545 . . . . 2.03 111.119 -176.489 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 89.0 mt -120.91 128.81 25.59 Favored Pre-proline 0 C--N 1.321 -0.635 0 CA-C-N 115.566 -0.743 . . . . 0.58 110.284 -178.832 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 8.1 Cg_exo -72.37 103.8 1.59 Allowed 'Trans proline' 0 C--O 1.239 0.572 0 C-N-CA 122.718 2.279 . . . . 0.53 112.381 177.497 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.503 HG23 HG13 ' A' ' 115' ' ' VAL . 9.3 p -107.35 137.22 39.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 CA-C-N 116.111 -0.495 . . . . 1.39 110.473 178.239 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 61.6 t -111.24 121.79 64.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-N 116.077 -0.51 . . . . 0.4 110.03 178.073 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.437 ' HA ' ' O ' ' A' ' 117' ' ' MET . 38.6 t -107.06 128.06 62.23 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 CA-C-O 121.1 0.476 . . . . 1.03 110.601 -177.094 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.604 ' O ' ' HA ' ' A' ' 118' ' ' THR . 39.2 tt0 -128.23 146.11 50.84 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.856 -0.611 . . . . 2.43 109.689 -178.592 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 31.0 ptt180 -85.81 138.79 31.81 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.995 0.426 . . . . 2.32 110.935 -178.033 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . 0.54 ' CD1' ' HD2' ' A' ' 45' ' ' PRO . 1.8 t80 -82.88 129.1 63.11 Favored Pre-proline 0 C--N 1.325 -0.465 0 CA-C-N 115.696 -0.684 . . . . 1.74 111.234 -173.733 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.54 ' HD2' ' CD1' ' A' ' 44' ' ' TYR . 52.1 Cg_endo -69.19 -7.82 21.92 Favored 'Trans proline' 0 C--N 1.345 0.381 0 C-N-CA 123.238 2.625 . . . . 1.48 113.427 -178.588 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.429 ' NE ' ' HA ' ' A' ' 46' ' ' ARG . 6.8 tpm_? -60.76 -39.41 88.65 Favored 'General case' 0 C--N 1.331 -0.217 0 N-CA-C 109.643 -0.503 . . . . 4.16 109.643 175.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 13.4 tp10 -87.94 152.17 22.27 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 108.623 -0.88 . . . . 2.56 108.623 171.861 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 11.4 m -74.64 69.42 1.75 Allowed 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 121.371 0.605 . . . . 3.54 109.816 178.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 73.6 m-85 60.42 83.91 0.13 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 114.683 -1.144 . . . . 5.19 112.439 175.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 13.2 mt -58.37 147.67 67.1 Favored Pre-proline 0 C--O 1.237 0.413 0 N-CA-C 109.149 -0.686 . . . . 1.51 109.149 169.288 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . 0.446 ' HB3' ' HB3' ' A' ' 79' ' ' LEU . 9.6 Cg_endo -52.73 125.8 19.13 Favored 'Trans proline' 0 C--O 1.232 0.205 0 C-N-CA 123.067 2.511 . . . . 1.69 112.365 179.718 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 31.5 Cg_exo -59.97 161.72 18.19 Favored 'Trans proline' 0 C--N 1.344 0.322 0 C-N-CA 122.787 2.325 . . . . 1.17 111.855 177.288 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 40.3 mt -105.57 173.08 6.46 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 116.097 -0.502 . . . . 1.22 111.122 -176.543 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -55.14 -42.91 73.67 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.047 0.451 . . . . 2.12 110.983 177.51 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 33.4 mtmm -133.09 162.07 32.7 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.856 -0.611 . . . . 2.59 110.478 -178.549 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 9.1 m -92.04 -27.49 17.77 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.648 -0.705 . . . . 1.14 109.415 174.397 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 4.7 ptpp? -117.32 145.6 43.9 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.66 -0.7 . . . . 2.14 109.958 176.022 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 98.1 m-85 -130.97 142.85 50.38 Favored 'General case' 0 C--N 1.316 -0.889 0 CA-C-N 116.281 -0.418 . . . . 1.64 109.927 176.797 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 7.0 mp -95.91 103.84 15.75 Favored 'General case' 0 C--N 1.32 -0.704 0 N-CA-C 109.012 -0.736 . . . . 2.22 109.012 176.321 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 31.3 m -114.32 141.44 26.48 Favored Pre-proline 0 C--N 1.318 -0.8 0 CA-C-N 115.935 -0.575 . . . . 0.59 110.858 -175.191 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 57.1 Cg_endo -73.42 153.72 50.31 Favored 'Trans proline' 0 N--CA 1.461 -0.421 0 C-N-CA 122.297 1.998 . . . . 0.71 111.825 -179.278 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . 0.527 ' HB3' ' HB2' ' A' ' 102' ' ' ALA . 30.8 mt-30 -66.9 -13.21 61.46 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.839 -0.618 . . . . 1.34 110.396 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 22.9 tp10 -80.75 -18.58 47.26 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.356 -0.838 . . . . 3.07 110.496 179.363 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 16.6 tp -73.05 147.16 45.3 Favored 'General case' 0 N--CA 1.446 -0.625 0 CA-C-N 115.938 -0.574 . . . . 1.44 110.554 -175.022 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 76.6 p -107.27 164.01 12.54 Favored 'General case' 0 C--N 1.316 -0.866 0 CA-C-N 115.472 -0.786 . . . . 0.68 110.58 177.063 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 91.2 mmm -55.92 -44.14 78.03 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.935 0.398 . . . . 1.39 110.718 177.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 52.7 m -57.96 -49.73 75.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.814 -0.63 . . . . 1.33 111.711 179.647 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . 0.45 ' O ' HG13 ' A' ' 72' ' ' ILE . 78.8 mt-30 -63.94 -35.82 81.93 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 116.555 -0.293 . . . . 2.03 111.276 -177.583 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 22.1 t80 -70.3 -36.35 74.28 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.87 0.367 . . . . 1.33 110.259 -179.686 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 60.4 tp -55.75 -43.44 76.67 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.702 -0.681 . . . . 1.43 110.279 175.871 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 20.3 m -65.48 -37.12 85.9 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.862 -0.608 . . . . 1.5 110.67 176.433 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.45 HG13 ' O ' ' A' ' 68' ' ' GLN . 68.1 mt -65.66 -43.29 93.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.18 -0.464 . . . . 0.46 110.8 178.292 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 68.5 mt -56.82 -46.57 83.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-O 121.071 0.463 . . . . 1.08 110.582 176.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 37.9 ttp180 -63.63 -30.8 71.86 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.733 -0.667 . . . . 3.12 110.819 178.483 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 46.1 t -77.22 -25.38 51.59 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.165 -0.47 . . . . 1.33 111.064 179.011 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . 0.421 ' HD3' ' O ' ' A' ' 72' ' ' ILE . 9.9 mpt_? -97.17 3.76 51.41 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.501 -0.318 . . . . 3.11 111.112 -178.51 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . 0.423 ' HB3' ' O ' ' A' ' 79' ' ' LEU . 12.4 mmt -55.73 130.99 45.52 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.777 -0.647 . . . . 1.28 111.076 176.42 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 73.5 t -71.05 -30.91 43.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 121.338 0.589 . . . . 1.66 109.584 174.051 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.446 ' HB3' ' HB3' ' A' ' 51' ' ' PRO . 43.8 tp -120.25 127.52 52.48 Favored 'General case' 0 C--N 1.319 -0.758 0 N-CA-C 108.639 -0.875 . . . . 2.29 108.639 174.338 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 38.6 ttm180 -54.29 121.05 7.42 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 121.083 0.468 . . . . 4.54 111.33 -175.645 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -95.42 112.39 24.11 Favored 'General case' 0 N--CA 1.448 -0.547 0 CA-C-N 115.511 -0.768 . . . . 2.91 110.384 -179.856 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 9.0 t -106.99 -3.77 19.75 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-O 121.6 0.714 . . . . 4.3 109.495 178.37 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 1.4 pm0 -96.63 152.43 18.66 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.052 -0.976 . . . . 3.64 109.565 175.624 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -79.45 135.98 36.81 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.373 -0.376 . . . . 1.27 110.455 179.853 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 23.2 p90 -139.0 151.02 46.49 Favored 'General case' 0 C--N 1.319 -0.755 0 N-CA-C 109.259 -0.645 . . . . 1.38 109.259 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . 0.416 ' CZ ' ' HB3' ' A' ' 120' ' ' ALA . 48.6 p90 -112.38 150.33 31.25 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 120.933 0.397 . . . . 3.3 111.158 -178.182 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.409 HD21 ' SD ' ' A' ' 117' ' ' MET . 42.6 tp -103.61 111.62 24.17 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.513 -0.767 . . . . 1.56 109.577 176.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.468 ' CD2' ' HA ' ' A' ' 91' ' ' ASN . 32.0 tp -101.94 125.65 48.67 Favored 'General case' 0 C--N 1.316 -0.853 0 CA-C-N 115.612 -0.722 . . . . 1.54 109.739 -176.897 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 21.7 t -102.37 118.9 49.93 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.742 0 CA-C-N 116.55 -0.295 . . . . 1.31 110.307 -176.278 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 65.5 t30 59.42 30.22 19.88 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-N 115.555 -0.748 . . . . 2.22 110.489 179.084 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . 0.468 ' HA ' ' CD2' ' A' ' 88' ' ' LEU . 88.2 m-20 51.32 32.1 7.92 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-N 115.62 -0.718 . . . . 2.53 111.657 -178.405 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 22.8 ttmm -132.87 -58.56 0.91 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.467 -0.333 . . . . 3.95 111.147 -176.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . 0.416 ' O ' HD12 ' A' ' 88' ' ' LEU . 42.6 t -97.63 137.42 36.58 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.285 -0.416 . . . . 2.32 110.996 -175.502 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 7.4 mp -88.02 -164.57 1.13 Allowed 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 109.809 -0.441 . . . . 2.04 109.809 175.707 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 70.8 t -69.07 87.22 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-O 121.309 0.576 . . . . 4.29 110.513 177.615 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . 0.491 ' HB2' ' HB3' ' A' ' 99' ' ' ALA . 17.7 m -69.01 97.86 0.91 Allowed 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.592 -0.731 . . . . 1.9 109.33 173.697 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.12 -24.15 66.97 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.672 -0.694 . . . . 2.85 112.324 -172.02 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 22.7 t -95.43 -17.17 21.75 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-O 120.746 0.308 . . . . 1.6 111.058 -177.27 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . 0.491 ' HB3' ' HB2' ' A' ' 96' ' ' SER . . . -85.08 138.63 32.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.231 0.539 . . . . 0.51 111.648 -174.573 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . 0.435 ' O ' HG12 ' A' ' 104' ' ' ILE . 57.7 p -92.78 160.56 14.9 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.263 -0.88 . . . . 0.47 110.746 178.758 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.73 -28.95 67.8 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.529 -0.305 . . . . 1.18 110.969 175.206 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . 0.527 ' HB2' ' HB3' ' A' ' 62' ' ' GLN . . . -59.69 -52.27 66.24 Favored 'General case' 0 N--CA 1.451 -0.38 0 CA-C-N 116.28 -0.418 . . . . 0.39 110.222 176.823 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 28.8 mt-10 -63.0 -47.28 83.81 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.958 -0.564 . . . . 0.53 110.604 179.481 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . 0.435 HG12 ' O ' ' A' ' 100' ' ' THR . 48.7 mm -58.48 -46.64 89.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 115.407 -0.815 . . . . 0.45 111.332 -178.579 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' TYR . . . . . 0.485 ' O ' ' HB2' ' A' ' 109' ' ' LYS . 39.5 t80 -64.47 -45.61 86.64 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.705 0.288 . . . . 1.56 111.358 -178.858 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . 0.425 ' HG3' ' O ' ' A' ' 102' ' ' ALA . 97.3 mtt180 -62.85 -25.62 68.37 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.321 -0.399 . . . . 4.23 111.707 -176.733 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -99.24 -49.12 4.58 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.04 0.448 . . . . 1.77 111.47 -178.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 66.6 m-85 -97.04 18.31 15.07 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 112.405 0.52 . . . . 1.36 112.405 -171.601 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . 0.485 ' HB2' ' O ' ' A' ' 105' ' ' TYR . 40.0 ttpt -60.14 125.06 22.21 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 109.941 -0.392 . . . . 1.82 109.941 174.607 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -83.01 -179.36 7.42 Favored 'General case' 0 C--N 1.326 -0.427 0 C-N-CA 121.093 -0.243 . . . . 1.35 110.381 -178.481 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -64.68 -38.12 89.92 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 120.744 0.307 . . . . 2.97 111.478 -173.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 5.6 p30 -79.81 -12.19 59.78 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.506 -0.316 . . . . 0.77 111.574 -177.37 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 108.53 -14.86 35.5 Favored Glycine 0 N--CA 1.449 -0.44 0 C-N-CA 120.384 -0.913 . . . . 0.47 113.518 174.49 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 77.9 m-85 -85.77 155.4 21.04 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 117.081 0.441 . . . . 1.35 110.521 179.026 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . 0.503 HG13 HG23 ' A' ' 39' ' ' VAL . 3.1 p -103.33 117.55 48.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 N-CA-C 109.574 -0.528 . . . . 1.06 109.574 172.615 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 116' ' ' TYR . . . . . . . . . . . . . 74.6 m-85 -98.73 120.2 38.77 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 121.331 0.586 . . . . 1.31 111.359 -173.84 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 117' ' ' MET . . . . . 0.437 ' O ' ' HA ' ' A' ' 41' ' ' VAL . 62.6 mtt -119.09 130.78 55.78 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.156 -0.929 . . . . 1.19 109.426 178.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 118' ' ' THR . . . . . 0.604 ' HA ' ' O ' ' A' ' 42' ' ' GLU . 6.2 m -116.1 132.97 56.51 Favored 'General case' 0 C--N 1.312 -1.032 0 N-CA-C 109.593 -0.521 . . . . 0.92 109.593 -175.778 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 3.8 p90 -117.03 140.97 48.85 Favored 'General case' 0 C--N 1.325 -0.461 0 C-N-CA 120.132 -0.627 . . . . 1.2 111.678 -173.819 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . 0.472 ' HB2' ' HB3' ' A' ' 44' ' ' TYR . . . -139.48 162.96 33.78 Favored 'General case' 0 CA--C 1.518 -0.268 0 CA-C-N 115.445 -0.798 . . . . 0.86 110.609 -176.772 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 4.6 p -65.86 131.34 46.05 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.329 -0.396 . . . . 2.69 110.424 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 8.9 tt0 -95.76 142.14 28.39 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.888 0.375 . . . . 4.22 110.977 -175.309 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -144.76 152.21 40.03 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 109.152 -0.685 . . . . 6.07 109.152 177.654 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 19.0 m -148.85 82.78 1.45 Allowed 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 121.135 0.493 . . . . 6.51 110.12 179.074 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 45.9 p90 -97.64 170.19 9.18 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.787 -0.642 . . . . 8.27 110.91 -179.217 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.097 0 CA-C-O 118.71 -1.05 . . . . 10.03 111.759 -179.37 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.784 0 N-CA-C 111.959 -0.457 . . . . 29.54 111.959 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 37.0 m 60.38 60.12 2.09 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-O 121.102 0.477 . . . . 29.85 111.101 178.889 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 88.1 mtp -83.69 119.43 73.66 Favored Pre-proline 0 C--N 1.324 -0.501 0 CA-C-N 115.972 -0.558 . . . . 27.04 110.168 179.843 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . 0.435 ' HA ' ' HD3' ' A' ' 3' ' ' PRO . 37.9 Cg_endo -65.85 128.82 20.62 Favored 'Trans proline' 0 C--O 1.234 0.315 0 C-N-CA 122.521 2.148 . . . . 24.48 112.537 -175.635 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . 0.435 ' HD3' ' HA ' ' A' ' 2' ' ' PRO . 12.6 Cg_exo -70.92 149.62 59.78 Favored 'Trans proline' 0 N--CA 1.461 -0.4 0 C-N-CA 122.711 2.274 . . . . 22.87 111.053 172.792 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.8 Cg_endo -60.6 100.08 0.15 Allowed 'Trans proline' 0 C--O 1.233 0.275 0 C-N-CA 122.653 2.235 . . . . 21.43 111.669 177.419 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . 0.425 ' HG3' ' O ' ' A' ' 3' ' ' PRO . 78.1 mt-30 -109.22 147.5 32.46 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.236 -0.438 . . . . 20.6 110.865 -176.713 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 49.6 mmtm 56.36 37.72 29.08 Favored 'General case' 0 C--O 1.232 0.162 0 CA-C-N 115.785 -0.643 . . . . 18.97 110.77 179.461 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.496 ' HB ' ' HD3' ' A' ' 8' ' ' PRO . 40.6 mm -90.17 -58.48 0.25 Allowed Pre-proline 0 CA--C 1.536 0.408 0 CA-C-N 115.798 -0.637 . . . . 16.36 112.225 -177.809 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.496 ' HD3' ' HB ' ' A' ' 7' ' ' ILE . 74.2 Cg_endo -73.4 90.93 0.88 Allowed 'Trans proline' 0 C--N 1.352 0.732 0 C-N-CA 121.914 1.743 . . . . 15.48 113.087 -173.663 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 26.3 t -80.82 77.29 7.69 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 109.171 -0.678 . . . . 13.76 109.171 174.452 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 29.1 m -66.05 144.02 15.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 115.762 -0.654 . . . . 11.94 111.373 -175.722 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.413 ' HG2' ' H ' ' A' ' 13' ' ' PHE . 43.9 ttm180 -94.23 123.8 57.76 Favored Pre-proline 0 C--N 1.315 -0.903 0 CA-C-N 115.493 -0.776 . . . . 12.04 109.499 178.497 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 70.9 Cg_exo -50.06 -30.07 23.78 Favored 'Trans proline' 0 C--N 1.346 0.44 0 C-N-CA 123.343 2.695 . . . . 8.79 112.236 177.797 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.413 ' H ' ' HG2' ' A' ' 11' ' ' ARG . 30.1 t80 55.0 72.13 0.49 Allowed 'General case' 0 C--O 1.237 0.439 0 CA-C-O 121.633 0.73 . . . . 9.33 110.214 173.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 91.5 mttt -78.45 60.41 2.61 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.094 -0.957 . . . . 8.26 110.499 -176.862 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 4.2 pt20 -64.32 135.52 56.27 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.447 -0.797 . . . . 6.53 110.215 178.316 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 41.3 ttm180 -75.5 122.43 23.84 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-N 115.791 -0.64 . . . . 6.69 109.949 179.782 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 55.8 mttp -98.16 124.01 42.51 Favored 'General case' 0 C--N 1.319 -0.734 0 N-CA-C 109.174 -0.676 . . . . 3.96 109.174 -179.29 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.461 ' O ' ' HG2' ' A' ' 22' ' ' ARG . 92.0 p -87.18 178.08 6.99 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.892 -0.594 . . . . 0.97 111.461 -172.091 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 32.2 tp -59.89 -47.98 83.54 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.446 0.641 . . . . 1.11 109.55 177.171 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -61.45 -39.79 92.14 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.056 -0.974 . . . . 0.94 111.62 178.769 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.461 HD12 ' H ' ' A' ' 18' ' ' SER . 78.0 mt -66.04 -35.62 75.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 C-N-CA 120.651 -0.42 . . . . 1.64 110.567 177.769 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.461 ' HG2' ' O ' ' A' ' 18' ' ' SER . 36.3 mmt180 -66.5 -38.85 88.15 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 109.459 -0.571 . . . . 2.59 109.459 178.674 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 78.5 mt-30 -60.33 -32.33 71.14 Favored 'General case' 0 N--CA 1.451 -0.38 0 CA-C-N 115.188 -0.914 . . . . 2.16 110.466 175.374 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 13.6 tp10 -75.02 -47.17 30.4 Favored 'General case' 0 C--N 1.334 -0.107 0 CA-C-O 120.521 0.201 . . . . 2.83 110.986 178.346 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.403 ' O ' HG13 ' A' ' 29' ' ' ILE . 48.1 mt-10 -57.67 -48.29 79.91 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.85 0.357 . . . . 2.3 110.175 179.024 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -66.32 -36.93 78.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 116.068 -0.514 . . . . 1.21 110.697 179.533 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -58.69 -45.64 89.03 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.947 -0.569 . . . . 0.59 110.503 176.563 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -68.61 -45.65 65.71 Favored Glycine 0 N--CA 1.449 -0.493 0 C-N-CA 120.925 -0.655 . . . . 0.65 112.216 178.376 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.403 HG13 ' O ' ' A' ' 25' ' ' GLU . 94.2 mt -60.98 -49.98 82.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-O 120.479 0.181 . . . . 0.58 111.445 -179.7 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 29.5 mtp180 -69.24 -24.63 64.02 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.502 0.191 . . . . 3.31 111.479 -177.431 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -79.69 -43.91 21.82 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.859 0.361 . . . . 0.91 110.927 177.868 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 57.6 mtpt -78.19 -41.47 34.46 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.204 -0.453 . . . . 3.0 111.442 -177.275 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 57.4 m-85 -130.84 80.56 69.41 Favored Pre-proline 0 C--N 1.325 -0.482 0 CA-C-N 116.525 -0.307 . . . . 1.49 111.385 -175.11 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 33.8 Cg_endo -66.37 -20.92 54.65 Favored 'Trans proline' 0 C--N 1.344 0.308 0 C-N-CA 122.41 2.074 . . . . 0.74 112.034 174.425 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 15.9 m120 -82.32 -14.93 54.57 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.499 -0.773 . . . . 2.16 111.051 178.734 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 39.2 mmtm -103.89 154.36 19.71 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.23 -0.441 . . . . 2.03 110.103 178.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 62.9 mt -120.29 129.01 25.54 Favored Pre-proline 0 C--N 1.318 -0.797 0 CA-C-N 116.216 -0.447 . . . . 0.58 110.371 178.009 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.434 ' HB2' ' CD1' ' A' ' 114' ' ' PHE . 69.4 Cg_endo -76.91 102.19 1.59 Allowed 'Trans proline' 0 C--O 1.237 0.468 0 C-N-CA 122.611 2.208 . . . . 0.53 112.239 178.165 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 49.0 t -108.94 132.42 57.02 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 CA-C-N 115.705 -0.679 . . . . 1.39 110.044 179.705 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 45.7 t -112.68 108.17 24.84 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 N-CA-C 109.667 -0.494 . . . . 0.4 109.667 177.21 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 44.5 t -101.61 121.58 52.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-N 116.163 -0.471 . . . . 1.03 110.161 -177.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.507 ' O ' ' HA ' ' A' ' 118' ' ' THR . 42.1 mt-10 -123.04 150.07 43.57 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.983 -0.553 . . . . 2.43 110.839 -175.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 7.9 ptm180 -78.48 136.61 37.63 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 109.019 -0.734 . . . . 2.32 109.019 174.806 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . 0.435 ' CD2' ' HB3' ' A' ' 46' ' ' ARG . 2.7 t80 -87.89 117.58 68.64 Favored Pre-proline 0 C--N 1.319 -0.721 0 N-CA-C 110.296 -0.261 . . . . 1.74 110.296 -175.785 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 46.1 Cg_exo -58.01 -19.52 40.86 Favored 'Trans proline' 0 C--N 1.348 0.53 0 C-N-CA 123.496 2.797 . . . . 1.48 113.63 -178.298 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.435 ' HB3' ' CD2' ' A' ' 44' ' ' TYR . 27.5 tpt180 -70.91 -21.17 62.41 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.157 0.503 . . . . 4.16 110.309 176.553 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.445 ' HG2' ' CG ' ' A' ' 50' ' ' LEU . 14.7 tp10 -75.82 135.48 40.23 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.515 0.674 . . . . 2.56 110.499 178.602 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 16.0 p -67.14 -44.42 79.87 Favored 'General case' 0 N--CA 1.45 -0.473 0 CA-C-N 114.722 -1.126 . . . . 3.54 112.859 -178.116 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 48.6 t80 -161.31 68.24 0.31 Allowed 'General case' 0 CA--C 1.532 0.251 0 N-CA-C 112.491 0.552 . . . . 5.19 112.491 -175.674 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.445 ' CG ' ' HG2' ' A' ' 47' ' ' GLU . 20.1 mt -106.99 136.31 19.47 Favored Pre-proline 0 C--N 1.325 -0.488 0 N-CA-C 109.498 -0.556 . . . . 1.51 109.498 165.851 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . 0.452 ' HA ' ' HD3' ' A' ' 52' ' ' PRO . 55.5 Cg_endo -69.12 139.48 42.55 Favored 'Trans proline' 0 C--O 1.232 0.208 0 C-N-CA 123.024 2.483 . . . . 1.69 113.487 -174.184 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . 0.452 ' HD3' ' HA ' ' A' ' 51' ' ' PRO . 23.9 Cg_exo -64.62 169.89 10.67 Favored 'Trans proline' 0 C--N 1.348 0.506 0 C-N-CA 123.286 2.657 . . . . 1.17 111.744 173.668 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.444 HD23 ' HA ' ' A' ' 77' ' ' MET . 44.4 mt -107.19 155.99 19.32 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.242 0.544 . . . . 1.22 111.365 -177.611 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -68.99 -33.69 74.09 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.2 -0.909 . . . . 2.12 110.887 179.135 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 60.7 tttp -140.88 138.53 33.99 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 108.971 -0.752 . . . . 2.59 108.971 177.912 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 4.0 m -91.83 -33.79 14.82 Favored 'General case' 0 C--N 1.323 -0.567 0 O-C-N 123.179 0.299 . . . . 1.14 111.506 -174.197 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 54.4 mtpt -92.59 123.28 35.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.79 0.329 . . . . 2.14 110.609 179.658 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 89.8 m-85 -117.7 127.43 53.92 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 116.265 -0.425 . . . . 1.64 110.759 177.011 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 10.4 mp -106.13 102.56 11.97 Favored 'General case' 0 C--N 1.322 -0.587 0 N-CA-C 108.859 -0.793 . . . . 2.22 108.859 173.322 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 18.6 m -119.77 154.75 55.15 Favored Pre-proline 0 C--N 1.322 -0.607 0 CA-C-N 116.016 -0.538 . . . . 0.59 111.192 -173.48 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 38.5 Cg_exo -60.91 141.58 95.04 Favored 'Trans proline' 0 C--N 1.344 0.294 0 C-N-CA 122.879 2.386 . . . . 0.71 112.047 178.813 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 28.7 pt20 -70.06 -13.78 62.37 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.208 -0.451 . . . . 1.34 111.292 -178.572 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 30.1 mm-40 -87.58 -5.97 58.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.107 -0.497 . . . . 3.07 110.94 177.154 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 14.8 tp -73.41 131.86 42.33 Favored 'General case' 0 N--CA 1.449 -0.493 0 CA-C-O 121.093 0.473 . . . . 1.44 110.023 -177.264 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 70.3 p -82.43 155.6 24.57 Favored 'General case' 0 C--N 1.316 -0.891 0 CA-C-N 115.719 -0.673 . . . . 0.68 109.825 176.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . 0.479 ' CE ' ' HG ' ' A' ' 87' ' ' LEU . 14.5 tpt -64.28 -25.27 67.98 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.368 -0.378 . . . . 1.39 110.51 176.811 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 94.1 m -57.91 -50.27 73.9 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-O 121.363 0.602 . . . . 1.33 110.153 173.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . 0.427 ' O ' HG13 ' A' ' 72' ' ' ILE . 48.6 mt-30 -68.49 -37.39 80.06 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.664 -0.698 . . . . 2.03 110.791 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . 0.439 ' O ' HG13 ' A' ' 73' ' ' ILE . 34.1 t80 -69.85 -40.74 75.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.904 -0.589 . . . . 1.33 110.464 -176.28 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 8.2 tt -56.42 -44.42 80.34 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.898 -0.592 . . . . 1.43 110.088 175.874 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 29.6 t -58.23 -41.86 85.07 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.621 -0.718 . . . . 1.5 110.27 175.859 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.475 ' O ' ' HG2' ' A' ' 76' ' ' ARG . 75.3 mt -64.26 -49.28 81.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.193 -0.458 . . . . 0.46 110.612 178.593 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.439 HG13 ' O ' ' A' ' 69' ' ' PHE . 75.0 mt -54.77 -46.62 74.57 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-O 120.894 0.378 . . . . 1.08 110.611 -179.837 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . 0.429 HH11 ' HD3' ' A' ' 74' ' ' ARG . 28.4 ttt180 -64.89 -34.06 77.51 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.837 -0.62 . . . . 3.12 110.389 -178.912 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 29.7 t -78.49 -22.58 47.24 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.293 -0.412 . . . . 1.33 110.961 -179.063 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . 0.475 ' HG2' ' O ' ' A' ' 72' ' ' ILE . 15.1 mmm180 -91.03 2.95 55.92 Favored 'General case' 0 C--O 1.235 0.335 0 CA-C-O 120.9 0.381 . . . . 3.11 110.617 -179.46 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . 0.444 ' HA ' HD23 ' A' ' 53' ' ' LEU . 56.9 mtt -68.9 134.64 49.88 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.622 -0.717 . . . . 1.28 110.153 175.245 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 63.8 t -61.0 -31.14 49.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 115.355 -0.839 . . . . 1.66 110.873 178.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 13.7 tp -108.58 119.99 41.12 Favored 'General case' 0 C--N 1.32 -0.678 0 N-CA-C 108.747 -0.835 . . . . 2.29 108.747 175.218 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 90.3 mtt180 -85.66 143.56 28.33 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 111.989 0.366 . . . . 4.54 111.989 -168.706 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . 54.29 63.76 2.05 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-N 115.539 -0.755 . . . . 2.91 112.0 176.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 4.7 p -103.95 51.48 0.78 Allowed 'General case' 0 C--N 1.315 -0.893 0 CA-C-N 115.403 -0.817 . . . . 4.3 111.184 -179.869 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 60.65 -164.28 0.23 Allowed 'General case' 0 C--O 1.235 0.335 0 CA-C-N 115.654 -0.703 . . . . 3.64 111.204 -178.301 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . 0.439 ' HB3' ' HB3' ' A' ' 123' ' ' GLU . . . -95.12 148.81 21.97 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.774 0.321 . . . . 1.27 110.8 179.297 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . 0.402 ' HD2' ' HB2' ' A' ' 119' ' ' TYR . 6.0 p90 -128.22 152.05 48.53 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.84 -0.618 . . . . 1.38 110.145 -176.003 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 76.2 m-85 -105.41 148.9 26.63 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.959 0.409 . . . . 3.3 110.37 -178.638 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.479 ' HG ' ' CE ' ' A' ' 66' ' ' MET . 4.1 mm? -100.07 140.37 34.39 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.094 -0.503 . . . . 1.56 110.931 -175.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 91.9 mt -127.84 105.39 8.4 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.848 -0.615 . . . . 1.54 109.697 175.158 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.469 ' HB ' ' HB3' ' A' ' 93' ' ' SER . 11.4 t -103.74 123.93 57.72 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.72 0 N-CA-C 109.581 -0.526 . . . . 1.31 109.581 178.005 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 11.5 m120 57.22 29.93 17.53 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-N 115.86 -0.609 . . . . 2.22 110.694 -174.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 82.4 m-20 59.7 18.91 7.62 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-N 115.394 -0.821 . . . . 2.53 112.344 178.662 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 64.4 tttp -135.51 -59.29 0.77 Allowed 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 120.68 -0.408 . . . . 3.95 111.83 -176.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . 0.469 ' HB3' ' HB ' ' A' ' 89' ' ' VAL . 9.6 t -69.06 131.52 45.16 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.887 0.375 . . . . 2.32 110.43 -175.286 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -86.6 -168.15 2.14 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.695 -0.684 . . . . 2.04 110.352 179.734 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 2.9 p -72.75 98.72 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-O 121.683 0.754 . . . . 4.29 111.394 -179.395 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 22.6 t -94.99 89.03 5.44 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 109.307 -0.627 . . . . 1.9 109.307 174.45 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 25.3 ptt? -70.87 -20.93 62.47 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.931 -0.577 . . . . 2.85 111.779 -174.904 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 13.4 m -85.02 -11.57 55.1 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.986 0.422 . . . . 1.6 110.719 -176.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -84.95 144.28 28.43 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.083 -0.508 . . . . 0.51 110.504 -178.608 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . 0.414 ' OG1' ' HG3' ' A' ' 103' ' ' GLU . 48.6 p -85.47 160.96 19.59 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 116.305 -0.407 . . . . 0.47 110.432 177.049 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 32.0 mmt -56.48 -36.76 69.47 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.843 0.354 . . . . 1.18 110.418 176.524 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -57.92 -51.18 70.71 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.786 -0.643 . . . . 0.39 111.19 179.158 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . 0.414 ' HG3' ' OG1' ' A' ' 100' ' ' THR . 32.5 mt-10 -60.96 -48.37 82.13 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.3 -0.409 . . . . 0.53 111.164 179.75 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 43.1 mm -58.57 -48.03 86.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 115.652 -0.704 . . . . 0.45 110.855 -179.65 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 59.4 t80 -62.17 -43.42 98.86 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.96 0.409 . . . . 1.56 110.678 178.865 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 52.0 ttp180 -56.32 -43.93 79.44 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.664 -0.698 . . . . 4.23 111.571 -178.044 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -90.17 -36.73 14.63 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 112.656 0.613 . . . . 1.77 112.656 -174.08 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 79.1 m-85 -112.9 16.35 19.47 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 113.066 0.765 . . . . 1.36 113.066 -168.574 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 14.2 ptmm? -64.26 141.99 58.57 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.035 0.445 . . . . 1.82 110.74 175.894 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -82.7 177.36 8.72 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.947 -0.57 . . . . 1.35 109.624 178.551 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 7.7 tp10 -68.59 -32.04 71.66 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 121.024 0.44 . . . . 2.97 110.432 -178.004 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 21.3 p30 -75.57 -12.25 60.18 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.216 -0.447 . . . . 0.77 111.453 -178.347 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 106.3 -6.42 39.34 Favored Glycine 0 N--CA 1.447 -0.587 0 C-N-CA 120.464 -0.875 . . . . 0.47 113.236 175.312 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' PHE . . . . . 0.434 ' CD1' ' HB2' ' A' ' 38' ' ' PRO . 80.1 m-85 -94.42 157.84 15.83 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 117.011 0.406 . . . . 1.35 110.352 177.653 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 5.9 p -109.13 112.88 42.44 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.699 0 CA-C-O 121.38 0.61 . . . . 1.06 109.69 172.437 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 116' ' ' TYR . . . . . . . . . . . . . 94.5 m-85 -94.69 114.49 26.43 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.742 -0.663 . . . . 1.31 110.837 -175.705 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 117' ' ' MET . . . . . . . . . . . . . 82.9 mtp -118.68 119.76 35.4 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 115.602 -0.726 . . . . 1.19 110.11 -178.315 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 118' ' ' THR . . . . . 0.507 ' HA ' ' O ' ' A' ' 42' ' ' GLU . 3.9 p -102.19 150.7 23.02 Favored 'General case' 0 C--N 1.315 -0.932 0 CA-C-N 115.905 -0.588 . . . . 0.92 110.149 178.189 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 119' ' ' TYR . . . . . 0.402 ' HB2' ' HD2' ' A' ' 85' ' ' PHE . 8.4 p90 -117.71 143.68 45.98 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-O 121.142 0.496 . . . . 1.2 110.56 174.839 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -154.68 157.0 37.45 Favored 'General case' 0 N--CA 1.447 -0.624 0 CA-C-N 115.394 -0.821 . . . . 0.86 110.093 -178.339 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 49.9 m 70.48 139.09 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.063 0.852 . . . . 2.69 111.479 178.279 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 6.4 pt20 -124.56 142.52 51.28 Favored 'General case' 0 C--N 1.316 -0.876 0 CA-C-N 115.134 -0.939 . . . . 4.22 110.049 -178.666 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . 0.439 ' HB3' ' HB3' ' A' ' 84' ' ' ALA . 26.6 tt0 -83.95 76.25 10.06 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 116.085 -0.507 . . . . 6.07 110.35 -176.574 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 7.8 p -76.62 66.43 2.59 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.502 -0.772 . . . . 6.51 110.698 178.262 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 53.3 t80 -130.36 -56.85 1.08 Allowed 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.638 -0.71 . . . . 8.27 109.67 -179.059 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.183 0 CA-C-O 118.432 -1.205 . . . . 10.03 111.327 179.15 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.642 0 N-CA-C 111.68 -0.568 . . . . 29.54 111.68 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 16.7 t -156.92 122.97 4.85 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 109.904 -0.406 . . . . 29.85 109.904 -179.872 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.4 ptt? -75.14 144.79 79.51 Favored Pre-proline 0 C--N 1.327 -0.403 0 CA-C-N 116.154 -0.475 . . . . 27.04 110.076 178.335 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . 0.457 ' HA ' ' HD3' ' A' ' 3' ' ' PRO . 18.9 Cg_endo -59.27 128.56 27.95 Favored 'Trans proline' 0 C--N 1.345 0.352 0 C-N-CA 122.546 2.164 . . . . 24.48 111.513 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . 0.457 ' HD3' ' HA ' ' A' ' 2' ' ' PRO . 15.3 Cg_exo -68.13 123.53 10.73 Favored 'Trans proline' 0 C--O 1.235 0.334 0 C-N-CA 122.669 2.246 . . . . 22.87 112.492 -179.107 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 15.0 Cg_exo -68.67 100.38 0.69 Allowed 'Trans proline' 0 N--CA 1.461 -0.423 0 C-N-CA 122.651 2.234 . . . . 21.43 110.94 173.44 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 25.4 pt20 -68.48 120.12 14.04 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.333 0.587 . . . . 20.6 111.505 -176.052 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -140.04 71.75 1.38 Allowed 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.418 -0.81 . . . . 18.97 109.566 176.476 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.472 ' N ' ' HD2' ' A' ' 8' ' ' PRO . 37.4 mm -54.67 -52.99 65.36 Favored Pre-proline 0 CA--C 1.537 0.465 0 CA-C-N 114.945 -1.025 . . . . 16.36 112.819 -171.039 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.472 ' HD2' ' N ' ' A' ' 7' ' ' ILE . 12.3 Cg_endo -56.17 -57.89 1.28 Allowed 'Trans proline' 0 C--N 1.354 0.825 0 C-N-CA 121.993 1.796 . . . . 15.48 112.215 178.323 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 25.3 t -175.24 -58.23 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 109.11 -0.7 . . . . 13.76 109.11 177.648 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 30.5 m -140.46 167.37 18.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 115.621 -0.718 . . . . 11.94 109.76 177.382 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.412 ' HD3' ' CZ ' ' A' ' 13' ' ' PHE . 57.1 ttt180 -138.77 129.16 14.94 Favored Pre-proline 0 C--N 1.321 -0.635 0 N-CA-C 110.03 -0.359 . . . . 12.04 110.03 177.379 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 8.1 Cg_exo -71.56 107.89 2.27 Favored 'Trans proline' 0 C--O 1.235 0.364 0 C-N-CA 122.68 2.254 . . . . 8.79 112.26 179.446 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.412 ' CZ ' ' HD3' ' A' ' 11' ' ' ARG . 86.5 m-85 -105.55 -83.74 0.51 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.928 0.394 . . . . 9.33 110.686 177.2 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 10.1 mtmp? -139.78 44.79 1.93 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.717 -0.674 . . . . 8.26 109.656 179.822 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 23.8 mt-30 -85.55 44.91 1.14 Allowed 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.32 -0.4 . . . . 6.53 111.35 -174.694 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 81.0 mtt180 71.32 -61.21 0.49 Allowed 'General case' 0 N--CA 1.464 0.275 0 O-C-N 123.835 0.709 . . . . 6.69 111.671 176.907 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.547 ' O ' ' HD2' ' A' ' 17' ' ' LYS . 0.0 OUTLIER -141.58 124.38 16.09 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.191 0.52 . . . . 3.96 110.967 -179.796 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.695 ' O ' ' HG3' ' A' ' 22' ' ' ARG . 93.2 p -75.84 169.48 18.06 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.971 -0.559 . . . . 0.97 110.121 179.291 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 38.5 tp -57.44 -47.53 81.55 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.527 0.679 . . . . 1.11 109.89 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -57.06 -45.36 83.31 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 114.738 -1.119 . . . . 0.94 111.81 178.226 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.437 HG12 ' OG ' ' A' ' 18' ' ' SER . 48.4 mm -65.29 -33.92 66.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 C-N-CA 120.358 -0.537 . . . . 1.64 110.554 178.694 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.695 ' HG3' ' O ' ' A' ' 18' ' ' SER . 90.9 mtt180 -62.38 -41.45 98.65 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 109.709 -0.478 . . . . 2.59 109.709 -179.203 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 37.3 tp60 -60.09 -44.16 95.02 Favored 'General case' 0 N--CA 1.448 -0.567 0 CA-C-N 115.334 -0.848 . . . . 2.16 110.065 -179.227 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.432 ' HG2' ' HA ' ' A' ' 21' ' ' ILE . 11.5 pt-20 -76.85 -28.78 55.59 Favored 'General case' 0 C--O 1.233 0.205 0 C-N-CA 120.705 -0.398 . . . . 2.83 110.915 -178.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.418 ' O ' HG13 ' A' ' 29' ' ' ILE . 29.3 tt0 -66.61 -47.68 71.89 Favored 'General case' 0 N--CA 1.451 -0.385 0 N-CA-C 109.858 -0.423 . . . . 2.3 109.858 179.824 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.629 HG23 ' O ' ' A' ' 22' ' ' ARG . 22.3 t -61.87 -40.52 87.38 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.209 -0.451 . . . . 1.21 110.109 177.369 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -57.34 -46.41 83.32 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.148 -0.478 . . . . 0.59 110.812 178.868 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -67.31 -48.18 59.76 Favored Glycine 0 N--CA 1.453 -0.199 0 CA-C-N 115.856 -0.611 . . . . 0.65 112.45 178.508 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.418 HG13 ' O ' ' A' ' 25' ' ' GLU . 87.1 mt -58.25 -44.67 88.51 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-O 120.881 0.372 . . . . 0.58 110.663 179.822 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 72.5 ttt180 -67.43 -30.65 70.44 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.996 -0.547 . . . . 3.31 110.92 -177.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -76.47 -36.59 57.78 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.2 -0.454 . . . . 0.91 110.832 179.296 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 27.8 tptp -80.31 -35.06 36.27 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.217 -0.447 . . . . 3.0 110.86 179.806 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.466 ' HB3' ' HB2' ' A' ' 36' ' ' LYS . 43.9 m-85 -125.61 86.15 57.79 Favored Pre-proline 0 C--N 1.323 -0.545 0 CA-C-N 116.292 -0.413 . . . . 1.49 110.702 -178.496 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 44.8 Cg_endo -69.64 -24.54 30.09 Favored 'Trans proline' 0 CA--C 1.529 0.245 0 C-N-CA 122.594 2.196 . . . . 0.74 112.901 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 16.6 m120 -99.93 -5.1 28.84 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.176 -0.466 . . . . 2.16 111.475 -177.791 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.466 ' HB2' ' HB3' ' A' ' 33' ' ' PHE . 45.9 mmtm -108.44 153.43 23.31 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-O 121.003 0.43 . . . . 2.03 110.756 -178.737 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 93.9 mt -123.21 128.02 25.43 Favored Pre-proline 0 C--N 1.322 -0.612 0 CA-C-N 115.72 -0.673 . . . . 0.58 110.525 -179.719 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo -80.05 105.11 1.74 Allowed 'Trans proline' 0 C--O 1.238 0.513 0 C-N-CA 122.736 2.291 . . . . 0.53 112.667 178.424 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 34.3 m -107.7 142.69 19.77 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 CA-C-N 115.966 -0.561 . . . . 1.39 110.422 178.188 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 45.8 t -118.03 122.74 70.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-N 116.049 -0.523 . . . . 0.4 109.833 179.709 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 61.3 t -108.82 125.12 65.83 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-O 121.204 0.526 . . . . 1.03 111.06 -177.069 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.47 ' O ' ' HA ' ' A' ' 118' ' ' THR . 8.6 tp10 -112.03 139.39 47.58 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.514 -0.766 . . . . 2.43 109.681 178.769 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.446 ' HD2' ' O ' ' A' ' 50' ' ' LEU . 16.5 ptt180 -82.29 140.66 33.47 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 109.233 -0.654 . . . . 2.32 109.233 176.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 1.8 t80 -60.81 115.51 14.21 Favored Pre-proline 0 C--N 1.325 -0.457 0 CA-C-N 116.338 -0.392 . . . . 1.74 110.341 -177.316 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 35.6 Cg_endo -65.19 -20.17 62.7 Favored 'Trans proline' 0 C--N 1.344 0.322 0 C-N-CA 122.931 2.421 . . . . 1.48 112.796 -173.618 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 21.4 mmt180 -83.57 -18.63 37.65 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.044 0.45 . . . . 4.16 110.087 -179.793 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 36.2 mm-40 -89.04 153.07 21.3 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.92 -0.582 . . . . 2.56 111.256 -179.811 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 11.6 m -120.06 -15.11 8.79 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 115.506 -0.77 . . . . 3.54 110.293 177.641 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 30.2 t80 -65.8 -37.35 86.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.804 -0.634 . . . . 5.19 111.635 -179.112 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.446 ' O ' ' HD2' ' A' ' 43' ' ' ARG . 93.0 mt -102.62 110.84 64.0 Favored Pre-proline 0 C--N 1.325 -0.468 0 CA-C-O 121.13 0.49 . . . . 1.51 111.765 -174.68 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -78.26 164.57 26.6 Favored 'Trans proline' 0 C--O 1.234 0.277 0 C-N-CA 123.537 2.825 . . . . 1.69 111.368 171.892 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 17.7 Cg_endo -59.66 139.9 91.03 Favored 'Trans proline' 0 C--N 1.344 0.293 0 C-N-CA 122.444 2.096 . . . . 1.17 112.097 177.448 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 55.2 mt -81.68 171.72 14.26 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.905 -0.588 . . . . 1.22 110.788 -178.654 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -70.48 -11.23 60.79 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.044 -0.525 . . . . 2.12 111.049 177.481 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 67.9 mttm -140.5 137.19 33.65 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.112 -0.495 . . . . 2.59 110.489 178.322 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 24.2 m -98.62 -28.42 13.56 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 121.555 0.693 . . . . 1.14 109.228 172.861 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 55.6 mtpt -115.5 132.05 56.74 Favored 'General case' 0 N--CA 1.45 -0.446 0 CA-C-N 115.119 -0.946 . . . . 2.14 110.025 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 47.6 m-85 -119.26 145.01 46.45 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 116.182 -0.463 . . . . 1.64 110.007 -179.419 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 24.3 tp -106.98 104.26 13.89 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 109.316 -0.624 . . . . 2.22 109.316 176.124 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.433 ' HA ' ' HD3' ' A' ' 61' ' ' PRO . 18.4 m -117.08 137.45 23.9 Favored Pre-proline 0 C--N 1.321 -0.641 0 CA-C-N 116.358 -0.383 . . . . 0.59 111.472 -174.798 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . 0.433 ' HD3' ' HA ' ' A' ' 60' ' ' VAL . 23.8 Cg_exo -65.25 164.96 23.6 Favored 'Trans proline' 0 C--N 1.343 0.275 0 C-N-CA 122.684 2.256 . . . . 0.71 112.134 174.216 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 22.6 mt-30 -66.77 -25.76 66.64 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.934 -0.576 . . . . 1.34 110.927 -179.753 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 14.1 mm-40 -82.85 -3.33 56.69 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.879 -0.601 . . . . 3.07 111.076 -179.196 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.436 HD22 ' HA ' ' A' ' 64' ' ' LEU . 0.7 OUTLIER -80.72 117.06 21.07 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 109.529 -0.545 . . . . 1.44 109.529 -176.139 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.498 ' HA ' ' HA ' ' A' ' 100' ' ' THR . 48.7 p -89.67 171.22 9.82 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.437 -0.347 . . . . 0.68 111.83 -177.69 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . 0.728 ' SD ' ' HB ' ' A' ' 95' ' ' VAL . 89.2 mtp -62.07 -41.07 97.78 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.676 -0.238 . . . . 1.39 111.005 177.918 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 7.6 t -66.86 -37.55 84.64 Favored 'General case' 0 CA--C 1.533 0.315 0 CA-C-O 120.733 0.301 . . . . 1.33 110.878 179.654 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 22.7 mm-40 -65.88 -38.79 89.72 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.959 0.409 . . . . 2.03 110.074 175.015 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 38.3 t80 -69.61 -33.52 72.78 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.799 -0.637 . . . . 1.33 110.211 179.762 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 13.2 tp -56.1 -44.09 78.72 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.489 -0.778 . . . . 1.43 109.674 176.599 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 23.3 t -67.23 -36.75 82.33 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.357 -0.838 . . . . 1.5 110.462 177.219 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 64.7 mt -63.12 -45.12 99.45 Favored 'Isoleucine or valine' 0 C--O 1.233 0.199 0 CA-C-N 116.462 -0.335 . . . . 0.46 110.707 178.279 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.453 ' O ' ' HG3' ' A' ' 77' ' ' MET . 65.9 mt -59.9 -43.12 91.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.309 -0.405 . . . . 1.08 110.082 176.84 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 63.8 mtt180 -59.52 -35.73 74.74 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.186 -0.461 . . . . 3.12 111.108 176.177 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 16.5 t -69.63 -36.39 76.08 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.197 -0.456 . . . . 1.33 110.387 -179.672 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 28.0 mmt180 -91.72 3.85 54.13 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.401 -0.363 . . . . 3.11 111.349 -178.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . 0.453 ' HG3' ' O ' ' A' ' 73' ' ' ILE . 32.8 mtt -72.34 145.33 47.85 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.236 -0.438 . . . . 1.28 110.587 175.362 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 33.7 m -87.6 -8.32 10.98 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 CA-C-N 115.734 -0.667 . . . . 1.66 110.004 174.132 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 91.0 mt -102.89 162.28 13.06 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.532 -0.758 . . . . 2.29 110.404 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 9.9 ptp180 -67.42 135.13 52.67 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.015 -0.539 . . . . 4.54 109.961 175.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -84.34 44.87 1.06 Allowed 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.215 0.531 . . . . 2.91 111.608 -177.122 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 1.2 m -92.08 -2.82 56.43 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.791 -0.64 . . . . 4.3 110.379 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -124.95 174.01 8.27 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.592 -0.731 . . . . 3.64 110.51 -176.308 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -118.03 163.25 16.87 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.202 -0.454 . . . . 1.27 111.217 -177.108 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . 0.437 ' HA ' ' O ' ' A' ' 121' ' ' SER . 19.9 p90 -154.52 151.66 29.16 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.375 -0.83 . . . . 1.38 109.141 -176.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . 0.419 ' CD1' ' HA ' ' A' ' 122' ' ' GLN . 62.4 m-85 -106.81 136.98 45.71 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 120.83 0.348 . . . . 3.3 110.956 -177.101 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 40.2 tp -100.01 111.74 24.03 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.824 -0.625 . . . . 1.56 110.054 179.527 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -100.42 145.89 27.68 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.79 -0.641 . . . . 1.54 110.792 -177.077 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.432 HG11 ' CD1' ' A' ' 108' ' ' TYR . 57.4 t -103.03 117.62 48.72 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 N-CA-C 109.11 -0.7 . . . . 1.31 109.11 172.69 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . 0.453 ' O ' ' HG3' ' A' ' 92' ' ' LYS . 95.6 m-20 55.58 32.36 19.0 Favored 'General case' 0 N--CA 1.466 0.327 0 O-C-N 123.629 0.581 . . . . 2.22 110.786 -174.866 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 81.8 m-20 66.13 10.38 7.03 Favored 'General case' 0 N--CA 1.468 0.425 0 CA-C-N 115.045 -0.979 . . . . 2.53 112.274 177.401 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . 0.453 ' HG3' ' O ' ' A' ' 90' ' ' ASN . 54.2 mttp -125.8 -70.3 0.74 Allowed 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 112.261 0.467 . . . . 3.95 112.261 -174.119 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 23.0 t -73.59 136.82 43.99 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.05 -0.523 . . . . 2.32 112.278 -168.772 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 46.1 mt -109.7 117.18 33.23 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.277 -0.874 . . . . 2.04 109.478 172.529 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.728 ' HB ' ' SD ' ' A' ' 66' ' ' MET . 5.1 t -95.58 155.01 3.39 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.71 0 CA-C-O 120.845 0.355 . . . . 4.29 110.421 -176.498 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 14.6 m -58.82 130.54 47.44 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.754 -0.657 . . . . 1.9 110.882 179.165 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' MET . . . . . 0.4 ' HA ' ' HB2' ' A' ' 66' ' ' MET . 2.3 ppp? -64.86 -14.63 60.17 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.088 -0.505 . . . . 2.85 111.941 -176.45 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 2.7 p -90.8 -3.22 57.57 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.857 -0.611 . . . . 1.6 111.228 -178.857 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -78.35 141.5 38.37 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.033 -0.53 . . . . 0.51 110.758 -179.536 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . 0.498 ' HA ' ' HA ' ' A' ' 65' ' ' THR . 73.4 p -84.07 152.39 24.39 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.678 -0.692 . . . . 0.47 110.284 179.529 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 20.5 mmt -61.79 -23.75 66.41 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.103 -0.499 . . . . 1.18 110.875 176.854 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . 0.444 ' O ' ' HG2' ' A' ' 106' ' ' ARG . . . -57.64 -51.67 68.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.029 0.443 . . . . 0.39 109.962 172.212 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 26.6 mt-10 -63.01 -43.3 99.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.783 -0.644 . . . . 0.53 110.309 176.434 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . 0.491 HG12 ' O ' ' A' ' 100' ' ' THR . 51.2 mm -57.44 -48.18 83.35 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 115.507 -0.77 . . . . 0.45 110.96 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 84.8 t80 -59.47 -49.63 77.05 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.423 -0.353 . . . . 1.56 111.064 179.477 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . 0.444 ' HG2' ' O ' ' A' ' 102' ' ' ALA . 27.3 mmm180 -58.38 -30.81 67.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 4.23 111.815 -176.402 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -98.11 -47.55 5.45 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 112.61 0.596 . . . . 1.77 112.61 -176.784 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' TYR . . . . . 0.432 ' CD1' HG11 ' A' ' 89' ' ' VAL . 52.8 m-85 -108.89 17.7 21.51 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 113.226 0.824 . . . . 1.36 113.226 -166.314 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 22.1 pttp -65.86 141.06 58.39 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 109.454 -0.573 . . . . 1.82 109.454 172.105 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -90.41 -172.04 3.3 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.565 -0.289 . . . . 1.35 110.618 -175.36 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -58.76 -42.21 88.34 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.03 0.443 . . . . 2.97 111.355 -176.017 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 4.0 p30 -80.64 -12.04 59.55 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.961 -0.563 . . . . 0.77 111.756 -176.282 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 108.64 -20.57 29.46 Favored Glycine 0 N--CA 1.449 -0.439 0 C-N-CA 120.528 -0.844 . . . . 0.47 113.113 176.872 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 56.5 m-85 -75.35 152.93 38.05 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.887 0.375 . . . . 1.35 110.462 179.616 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 43.5 t -95.89 108.62 21.38 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 N-CA-C 109.464 -0.569 . . . . 1.06 109.464 174.351 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 116' ' ' TYR . . . . . . . . . . . . . 96.2 m-85 -96.79 114.99 26.67 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.11 0.481 . . . . 1.31 111.038 -177.819 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 117' ' ' MET . . . . . . . . . . . . . 67.9 mtm -122.84 146.57 47.43 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.629 -0.714 . . . . 1.19 109.948 178.56 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 118' ' ' THR . . . . . 0.47 ' HA ' ' O ' ' A' ' 42' ' ' GLU . 53.3 m -123.0 134.36 54.32 Favored 'General case' 0 C--N 1.316 -0.865 0 N-CA-C 109.594 -0.521 . . . . 0.92 109.594 -178.109 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -117.73 141.47 48.37 Favored 'General case' 0 C--N 1.321 -0.641 0 C-N-CA 120.095 -0.642 . . . . 1.2 110.861 -176.718 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -135.42 169.33 17.66 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.35 -0.841 . . . . 0.86 110.273 -177.21 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . 0.437 ' O ' ' HA ' ' A' ' 85' ' ' PHE . 2.6 m -62.19 -76.07 0.06 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 123.205 0.316 . . . . 2.69 111.347 -176.843 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 122' ' ' GLN . . . . . 0.419 ' HA ' ' CD1' ' A' ' 86' ' ' TYR . 0.2 OUTLIER -157.36 147.62 20.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.595 -0.275 . . . . 4.22 110.309 178.931 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -114.33 151.96 32.18 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 110.169 -0.308 . . . . 6.07 110.169 179.275 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 7.1 m 55.92 51.67 11.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.62 0.724 . . . . 6.51 110.737 177.897 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 63.3 t80 -120.5 -62.56 1.45 Allowed 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.681 -0.69 . . . . 8.27 109.974 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.983 0 CA-C-O 118.082 -1.399 . . . . 10.03 111.33 -179.702 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.672 0 N-CA-C 111.73 -0.548 . . . . 29.54 111.73 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 19.8 m 58.47 64.13 1.54 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.213 0.53 . . . . 29.85 110.487 -179.684 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 12.9 tmm? -77.96 118.45 72.23 Favored Pre-proline 0 C--N 1.325 -0.485 0 CA-C-N 115.674 -0.694 . . . . 27.04 109.541 -178.707 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 60.5 Cg_endo -76.79 128.14 9.92 Favored 'Trans proline' 0 N--CA 1.459 -0.515 0 C-N-CA 122.172 1.915 . . . . 24.48 112.315 -179.692 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 30.6 Cg_endo -65.08 126.32 16.24 Favored 'Trans proline' 0 N--CA 1.462 -0.374 0 C-N-CA 122.37 2.047 . . . . 22.87 111.555 178.85 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_exo -55.53 99.22 0.07 OUTLIER 'Trans proline' 0 C--N 1.346 0.404 0 C-N-CA 123.063 2.509 . . . . 21.43 112.733 -178.676 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 30.4 mm-40 54.86 63.02 2.27 Favored 'General case' 0 C--O 1.231 0.113 0 CA-C-N 115.392 -0.822 . . . . 20.6 111.743 178.164 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -72.26 126.21 29.24 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.285 -0.416 . . . . 18.97 109.95 177.76 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 36.2 pt -72.56 144.57 86.43 Favored Pre-proline 0 C--N 1.323 -0.562 0 CA-C-N 116.207 -0.451 . . . . 16.36 110.944 -179.733 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo -74.34 65.08 5.44 Favored 'Trans proline' 0 N--CA 1.464 -0.245 0 C-N-CA 122.727 2.285 . . . . 15.48 111.767 177.492 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 47.4 t -124.42 136.05 53.75 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.728 -0.669 . . . . 13.76 110.036 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 27.6 m -91.41 15.46 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-N 116.243 -0.435 . . . . 11.94 110.715 178.579 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 34.1 ttm180 -128.66 80.61 72.29 Favored Pre-proline 0 C--N 1.326 -0.413 0 CA-C-N 115.903 -0.59 . . . . 12.04 110.212 178.253 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 33.1 Cg_exo -60.78 -33.13 93.36 Favored 'Trans proline' 0 C--O 1.235 0.354 0 C-N-CA 122.686 2.257 . . . . 8.79 111.785 177.153 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 50.2 t80 53.59 66.79 1.13 Allowed 'General case' 0 C--O 1.233 0.217 0 CA-C-O 121.503 0.668 . . . . 9.33 110.85 179.475 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -128.32 42.54 3.3 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.636 -0.711 . . . . 8.26 109.542 178.187 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 64.8 tt0 -68.67 -38.24 80.22 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.321 -0.854 . . . . 6.53 110.029 178.647 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 15.7 ptm180 -81.74 148.61 28.85 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.939 -0.573 . . . . 6.69 110.324 177.907 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 66.8 mttm -121.21 156.77 31.71 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.014 -0.539 . . . . 3.96 110.134 179.792 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.618 ' O ' ' HG3' ' A' ' 22' ' ' ARG . 96.4 p -69.33 164.93 21.75 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.505 -0.316 . . . . 0.97 110.219 179.72 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 43.5 tp -57.19 -46.93 82.41 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.498 0.666 . . . . 1.11 110.093 -178.4 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -56.88 -48.28 78.52 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 114.895 -1.048 . . . . 0.94 112.11 176.811 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 71.2 mt -67.17 -29.58 46.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 C-N-CA 120.334 -0.546 . . . . 1.64 110.767 -179.719 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.618 ' HG3' ' O ' ' A' ' 18' ' ' SER . 75.7 mtt180 -65.51 -39.25 91.62 Favored 'General case' 0 CA--C 1.515 -0.396 0 N-CA-C 109.442 -0.577 . . . . 2.59 109.442 177.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . 0.411 ' OE1' ' HA ' ' A' ' 112' ' ' ASP . 46.0 tp60 -59.66 -38.61 81.92 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.497 -0.774 . . . . 2.16 109.623 176.408 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -74.9 -31.73 61.65 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.867 -0.606 . . . . 2.83 110.55 -179.834 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 30.8 tt0 -67.77 -48.31 66.72 Favored 'General case' 0 CA--C 1.514 -0.412 0 N-CA-C 109.588 -0.523 . . . . 2.3 109.588 179.573 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.596 HG23 ' O ' ' A' ' 22' ' ' ARG . 20.6 t -59.14 -38.77 76.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.004 -0.544 . . . . 1.21 109.77 174.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -58.4 -47.04 85.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.465 -0.789 . . . . 0.59 110.704 177.116 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -69.46 -46.0 57.67 Favored Glycine 0 N--CA 1.447 -0.578 0 C-N-CA 120.943 -0.646 . . . . 0.65 112.491 179.426 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 96.6 mt -61.5 -51.46 72.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 C-N-CA 122.216 0.206 . . . . 0.58 111.325 -178.075 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 80.4 ttt180 -67.56 -30.13 69.68 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.891 0.377 . . . . 3.31 111.18 -175.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -74.9 -25.6 59.05 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.9 0.381 . . . . 0.91 111.003 177.452 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 64.2 tttm -91.16 -36.24 14.08 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.173 -0.467 . . . . 3.0 110.563 -178.467 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 91.3 m-85 -129.56 83.12 65.72 Favored Pre-proline 0 C--N 1.325 -0.497 0 CA-C-N 116.052 -0.522 . . . . 1.49 110.496 178.608 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 31.9 Cg_endo -64.68 -25.94 61.27 Favored 'Trans proline' 0 C--O 1.234 0.32 0 C-N-CA 122.418 2.079 . . . . 0.74 112.512 -179.167 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 95.4 m-20 -86.01 -7.31 58.73 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.207 -0.451 . . . . 2.16 111.411 -177.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 61.7 mttp -119.83 146.47 45.69 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.279 0.562 . . . . 2.03 111.425 179.824 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 63.6 mt -116.68 129.18 25.47 Favored Pre-proline 0 C--N 1.32 -0.691 0 CA-C-N 115.319 -0.855 . . . . 0.58 109.787 -179.869 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 59.6 Cg_endo -74.28 110.66 3.14 Favored 'Trans proline' 0 N--CA 1.462 -0.343 0 C-N-CA 122.448 2.099 . . . . 0.53 112.523 179.192 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 7.1 p -108.37 137.15 41.46 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 CA-C-N 115.837 -0.619 . . . . 1.39 110.526 179.635 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.45 HG22 ' HG2' ' A' ' 57' ' ' LYS . 16.2 t -109.91 119.8 59.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 116.053 -0.521 . . . . 0.4 109.666 179.002 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 24.6 t -97.99 121.4 48.49 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.694 0 CA-C-O 121.073 0.464 . . . . 1.03 110.741 -178.137 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.426 ' O ' ' HA ' ' A' ' 118' ' ' THR . 9.5 tp10 -112.02 140.55 46.6 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.782 -0.645 . . . . 2.43 110.057 -178.547 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 53.4 mtp180 -76.81 127.9 33.61 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 109.355 -0.609 . . . . 2.32 109.355 178.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . 0.545 ' CB ' ' HB2' ' A' ' 120' ' ' ALA . 11.0 t80 -58.21 133.87 84.51 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-N 116.421 -0.354 . . . . 1.74 110.611 -176.035 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.457 ' HD3' ' HA ' ' A' ' 44' ' ' TYR . 52.3 Cg_exo -56.89 -21.77 42.46 Favored 'Trans proline' 0 C--N 1.347 0.479 0 C-N-CA 123.493 2.795 . . . . 1.48 113.898 -177.374 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 30.1 mmm180 -95.12 -6.77 41.14 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.096 0.474 . . . . 4.16 110.803 179.415 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.478 ' CD ' ' HB2' ' A' ' 50' ' ' LEU . 11.6 tp10 -88.36 138.25 31.6 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.932 -0.576 . . . . 2.56 110.426 -179.345 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -141.04 -13.87 0.92 Allowed 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 112.972 0.73 . . . . 3.54 112.972 -177.211 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 85.7 m-85 -123.48 9.58 9.07 Favored 'General case' 0 C--N 1.329 -0.326 0 O-C-N 122.008 -0.433 . . . . 5.19 111.971 -174.906 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.478 ' HB2' ' CD ' ' A' ' 47' ' ' GLU . 2.1 tt -94.15 114.34 62.99 Favored Pre-proline 0 C--N 1.323 -0.573 0 N-CA-C 109.142 -0.688 . . . . 1.51 109.142 176.227 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . 0.444 ' HA ' ' HD3' ' A' ' 52' ' ' PRO . 84.7 Cg_exo -48.55 129.42 19.97 Favored 'Trans proline' 0 CA--C 1.531 0.361 0 C-N-CA 123.548 2.832 . . . . 1.69 113.322 -179.737 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . 0.444 ' HD3' ' HA ' ' A' ' 51' ' ' PRO . 32.5 Cg_exo -58.75 166.98 5.8 Favored 'Trans proline' 0 C--N 1.348 0.533 0 C-N-CA 123.188 2.592 . . . . 1.17 112.199 177.184 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 49.2 mt -97.74 158.57 15.44 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 116.39 -0.368 . . . . 1.22 111.1 -177.81 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -64.55 -37.4 87.42 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.216 -0.447 . . . . 2.12 110.475 179.585 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.501 ' HB2' ' CE1' ' A' ' 58' ' ' PHE . 75.4 mmtt -124.02 160.21 28.15 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.017 -0.538 . . . . 2.59 109.688 179.164 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 16.9 m -109.09 -31.29 7.67 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.159 0.505 . . . . 1.14 110.272 -179.541 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.45 ' HG2' HG22 ' A' ' 40' ' ' VAL . 94.4 mttt -117.91 112.05 19.82 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.739 -0.664 . . . . 2.14 110.073 179.528 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.501 ' CE1' ' HB2' ' A' ' 55' ' ' LYS . 97.8 m-85 -105.17 140.54 38.17 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-N 116.01 -0.541 . . . . 1.64 110.421 -178.329 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 6.7 mp -96.54 103.45 15.37 Favored 'General case' 0 C--N 1.319 -0.75 0 N-CA-C 108.421 -0.955 . . . . 2.22 108.421 173.078 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 21.4 m -111.15 138.31 21.21 Favored Pre-proline 0 C--N 1.321 -0.673 0 CA-C-N 115.999 -0.546 . . . . 0.59 111.384 -173.442 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 43.1 Cg_exo -57.49 141.73 95.15 Favored 'Trans proline' 0 N--CA 1.466 -0.147 0 C-N-CA 122.804 2.336 . . . . 0.71 111.998 177.193 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 4.5 pt20 -65.41 -19.71 66.06 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.142 -0.481 . . . . 1.34 110.505 177.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 43.9 tt0 -78.08 -15.68 58.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.375 -0.83 . . . . 3.07 110.827 177.601 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.434 HD21 HD12 ' A' ' 72' ' ' ILE . 17.1 tp -70.84 133.6 46.63 Favored 'General case' 0 N--CA 1.448 -0.542 0 CA-C-O 121.213 0.53 . . . . 1.44 110.353 -176.478 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.427 ' HA ' ' HA ' ' A' ' 100' ' ' THR . 76.0 p -90.2 162.4 15.26 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 115.554 -0.748 . . . . 0.68 110.958 177.758 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 57.7 mmm -56.25 -44.05 79.31 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.427 -0.352 . . . . 1.39 111.672 176.523 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 9.8 t -65.05 -37.09 86.46 Favored 'General case' 0 C--O 1.235 0.34 0 CA-C-N 116.444 -0.344 . . . . 1.33 111.32 -177.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . 0.422 ' O ' HG13 ' A' ' 72' ' ' ILE . 27.5 mm-40 -70.75 -34.86 72.3 Favored 'General case' 0 C--O 1.231 0.1 0 CA-C-O 120.894 0.378 . . . . 2.03 110.674 176.277 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . 0.407 ' CZ ' HD11 ' A' ' 73' ' ' ILE . 53.5 t80 -69.53 -36.93 76.86 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.204 0.526 . . . . 1.33 109.864 178.399 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 65.1 tp -55.84 -46.46 78.17 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.308 -0.86 . . . . 1.43 110.832 176.647 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 2.9 p -66.41 -32.34 73.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.469 -0.332 . . . . 1.5 111.146 177.06 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.442 ' O ' ' HD3' ' A' ' 76' ' ' ARG . 47.5 mt -63.26 -40.61 89.68 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-O 120.95 0.405 . . . . 0.46 110.385 175.906 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.407 HD11 ' CZ ' ' A' ' 69' ' ' PHE . 48.1 mm -58.53 -42.38 84.41 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 116.315 -0.402 . . . . 1.08 110.374 176.791 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . 0.482 ' HA ' ' HE3' ' A' ' 77' ' ' MET . 41.7 ttm180 -69.21 -35.49 76.26 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.895 -0.593 . . . . 3.12 111.559 -179.602 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 3.1 p -79.0 -32.13 45.03 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 111.857 0.317 . . . . 1.33 111.857 -177.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . 0.442 ' HD3' ' O ' ' A' ' 72' ' ' ILE . 11.5 mpt_? -91.19 3.64 54.3 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.051 0.453 . . . . 3.11 110.585 179.872 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . 0.482 ' HE3' ' HA ' ' A' ' 74' ' ' ARG . 48.6 ttm -70.55 144.97 51.11 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.714 -0.676 . . . . 1.28 109.584 175.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 9.5 p -64.46 -17.31 20.96 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.375 0 CA-C-O 120.914 0.388 . . . . 1.66 111.267 -177.334 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.433 ' H ' ' HG2' ' A' ' 77' ' ' MET . 44.8 tp -122.98 133.91 54.35 Favored 'General case' 0 C--N 1.322 -0.587 0 N-CA-C 109.451 -0.574 . . . . 2.29 109.451 175.287 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 79.3 ttt180 -90.44 119.06 30.4 Favored 'General case' 0 C--N 1.32 -0.704 0 N-CA-C 109.625 -0.509 . . . . 4.54 109.625 178.002 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -170.54 143.91 2.31 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.349 -0.387 . . . . 2.91 110.599 -178.552 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 5.2 m -80.88 57.62 3.11 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.666 0.745 . . . . 4.3 109.84 176.664 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -77.1 142.32 39.82 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.354 -0.839 . . . . 3.64 110.28 -178.554 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -84.46 118.88 24.56 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 116.006 -0.543 . . . . 1.27 109.753 177.704 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . 0.442 ' CB ' ' HA ' ' A' ' 121' ' ' SER . 24.4 p90 -151.52 148.47 28.06 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.385 -0.37 . . . . 1.38 110.317 -179.345 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 96.9 m-85 -100.28 155.62 17.68 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 116.086 -0.506 . . . . 3.3 110.172 -178.546 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 25.2 tp -121.6 111.26 17.0 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 115.813 -0.631 . . . . 1.56 110.195 -177.738 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -88.85 138.4 31.45 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.311 -0.859 . . . . 1.54 110.116 -179.473 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.402 HG22 ' HE3' ' A' ' 117' ' ' MET . 24.2 t -102.95 121.26 53.9 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.904 0 N-CA-C 109.334 -0.617 . . . . 1.31 109.334 175.867 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 64.7 t30 57.72 30.24 18.62 Favored 'General case' 0 N--CA 1.466 0.343 0 O-C-N 123.909 0.755 . . . . 2.22 110.278 -175.486 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 5.5 t30 57.15 26.04 11.66 Favored 'General case' 0 N--CA 1.467 0.392 0 CA-C-N 115.317 -0.856 . . . . 2.53 110.378 -178.054 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 62.4 tttp -118.5 -70.13 0.81 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.177 -0.465 . . . . 3.95 111.99 -174.122 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 4.8 p -106.25 149.26 27.04 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 112.192 0.442 . . . . 2.32 112.192 -171.095 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 1.8 pp -135.04 23.79 3.55 Favored 'General case' 0 C--O 1.232 0.143 0 CA-C-O 121.172 0.511 . . . . 2.04 111.161 176.122 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 2.9 t -114.21 24.15 4.8 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.68 0 CA-C-O 121.808 0.814 . . . . 4.29 110.089 -177.148 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 9.6 m -105.49 88.8 2.93 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.803 -0.635 . . . . 1.9 109.594 176.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 4.6 mpp? -93.17 -33.2 14.11 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.884 0.373 . . . . 2.85 111.246 179.183 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 12.6 t -102.98 -8.37 20.69 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.982 -0.554 . . . . 1.6 111.056 -174.27 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -62.84 137.36 58.25 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.133 -0.485 . . . . 0.51 110.558 178.422 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . 0.427 ' HA ' ' HA ' ' A' ' 65' ' ' THR . 55.9 p -90.09 161.72 15.66 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 116.446 -0.343 . . . . 0.47 110.736 178.611 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 31.8 mmt -55.97 -35.97 67.32 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.825 0.345 . . . . 1.18 110.276 177.121 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . 0.535 ' O ' ' HG2' ' A' ' 106' ' ' ARG . . . -60.16 -52.22 66.27 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.99 -0.55 . . . . 0.39 111.046 179.403 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 33.0 mt-10 -63.76 -41.14 98.05 Favored 'General case' 0 C--O 1.237 0.404 0 CA-C-O 121.205 0.526 . . . . 0.53 110.537 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . 0.414 HG12 ' O ' ' A' ' 100' ' ' THR . 32.5 mm -58.1 -47.9 85.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-N 115.244 -0.889 . . . . 0.45 110.638 177.534 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 65.5 t80 -59.04 -46.47 88.13 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.293 -0.412 . . . . 1.56 111.29 178.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . 0.535 ' HG2' ' O ' ' A' ' 102' ' ' ALA . 33.2 mmt180 -59.45 -32.78 70.53 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.284 -0.416 . . . . 4.23 111.859 -175.536 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -97.3 -47.42 5.72 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.047 0.451 . . . . 1.77 111.769 -177.403 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 76.0 m-85 -101.96 19.64 18.02 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 113.379 0.881 . . . . 1.36 113.379 -169.334 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 60.2 pttt -63.63 136.58 57.61 Favored 'General case' 0 C--N 1.326 -0.441 0 C-N-CA 120.501 -0.48 . . . . 1.82 110.361 174.873 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -85.98 -175.16 5.45 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.194 -0.457 . . . . 1.35 110.045 -178.499 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 11.4 tp10 -58.87 -42.6 89.84 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.095 0.474 . . . . 2.97 111.044 -177.528 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . 0.411 ' HA ' ' OE1' ' A' ' 23' ' ' GLN . 5.2 p30 -82.41 -13.27 57.09 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.924 -0.58 . . . . 0.77 111.645 -175.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 104.83 -7.16 44.8 Favored Glycine 0 N--CA 1.446 -0.675 0 C-N-CA 120.472 -0.871 . . . . 0.47 112.888 179.608 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' PHE . . . . . 0.433 ' HB2' ' CE1' ' A' ' 116' ' ' TYR . 34.0 m-85 -76.76 154.6 33.88 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 117.101 0.45 . . . . 1.35 110.404 176.48 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 48.4 t -101.75 109.23 25.46 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.664 0 N-CA-C 109.151 -0.685 . . . . 1.06 109.151 172.405 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 116' ' ' TYR . . . . . 0.433 ' CE1' ' HB2' ' A' ' 114' ' ' PHE . 79.5 m-85 -94.26 122.7 37.07 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 121.062 0.458 . . . . 1.31 110.393 -178.676 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 117' ' ' MET . . . . . 0.402 ' HE3' HG22 ' A' ' 89' ' ' VAL . 92.1 mtp -126.37 143.31 51.22 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.723 -0.672 . . . . 1.19 110.118 -178.578 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 118' ' ' THR . . . . . 0.426 ' HA ' ' O ' ' A' ' 42' ' ' GLU . 0.8 OUTLIER -118.95 134.67 55.03 Favored 'General case' 0 C--N 1.317 -0.83 0 CA-C-N 116.135 -0.484 . . . . 0.92 110.095 -171.677 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -124.82 143.84 50.6 Favored 'General case' 0 C--N 1.323 -0.555 0 C-N-CA 120.096 -0.642 . . . . 1.2 111.58 -177.409 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . 0.545 ' HB2' ' CB ' ' A' ' 44' ' ' TYR . . . -150.64 141.84 23.18 Favored 'General case' 0 N--CA 1.463 0.192 0 CA-C-N 115.63 -0.713 . . . . 0.86 110.512 -177.917 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . 0.448 ' N ' HD12 ' A' ' 50' ' ' LEU . 16.2 t -77.15 -22.31 52.76 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.023 0.44 . . . . 2.69 110.042 -178.49 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 34.0 tt0 -140.99 131.56 25.45 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.062 -0.517 . . . . 4.22 109.858 176.367 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 4.1 tm-20 -150.79 -72.4 0.17 Allowed 'General case' 0 C--N 1.319 -0.737 0 N-CA-C 107.795 -1.187 . . . . 6.07 107.795 177.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 39.4 m -109.06 86.23 2.25 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 108.27 -1.011 . . . . 6.51 108.27 167.464 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 79.6 m-85 64.36 -163.63 0.26 Allowed 'General case' 0 N--CA 1.465 0.288 0 CA-C-N 115.206 -0.907 . . . . 8.27 110.153 -172.426 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.184 0 CA-C-O 118.691 -1.06 . . . . 10.03 111.947 178.374 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.596 0 N-CA-C 111.824 -0.51 . . . . 29.54 111.824 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 11.6 m -71.73 -48.54 46.36 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 120.948 0.404 . . . . 29.85 110.556 -178.709 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.4 ptp -96.93 133.26 24.51 Favored Pre-proline 0 C--N 1.324 -0.524 0 CA-C-N 116.29 -0.414 . . . . 27.04 110.257 178.284 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 29.8 Cg_exo -62.4 129.49 26.92 Favored 'Trans proline' 0 C--N 1.344 0.314 0 C-N-CA 122.442 2.095 . . . . 24.48 111.175 176.294 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 23.0 Cg_endo -62.41 119.07 6.0 Favored 'Trans proline' 0 CA--C 1.53 0.304 0 C-N-CA 122.504 2.136 . . . . 22.87 112.467 -175.486 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_endo -77.33 -14.95 16.17 Favored 'Trans proline' 0 C--N 1.344 0.338 0 C-N-CA 122.821 2.347 . . . . 21.43 112.814 -178.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 23.6 tt0 -85.45 -9.03 58.04 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.467 0.651 . . . . 20.6 109.799 178.222 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 58.0 tttm -100.98 73.95 1.57 Allowed 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.595 -0.73 . . . . 18.97 109.386 178.243 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.479 HD12 ' H ' ' A' ' 7' ' ' ILE . 4.6 mp -73.03 -47.62 8.08 Favored Pre-proline 0 CA--C 1.537 0.447 0 CA-C-N 115.527 -0.76 . . . . 16.36 111.86 -177.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.438 ' HD3' ' HB ' ' A' ' 7' ' ' ILE . 7.9 Cg_exo -73.55 64.76 4.67 Favored 'Trans proline' 0 C--N 1.358 1.055 0 C-N-CA 122.388 2.058 . . . . 15.48 112.459 -179.324 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 68.5 m -99.42 74.01 1.89 Allowed 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.102 -0.499 . . . . 13.76 110.286 177.826 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 40.0 t -86.22 104.61 13.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-N 115.798 -0.637 . . . . 11.94 110.609 -177.702 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.463 ' HB2' ' HD3' ' A' ' 12' ' ' PRO . 57.4 mtt180 -76.9 -45.98 2.93 Favored Pre-proline 0 C--N 1.326 -0.428 0 CA-C-N 116.073 -0.512 . . . . 12.04 111.734 176.707 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.463 ' HD3' ' HB2' ' A' ' 11' ' ' ARG . 11.6 Cg_exo -72.85 101.82 1.36 Allowed 'Trans proline' 0 C--N 1.357 0.999 0 C-N-CA 121.972 1.781 . . . . 8.79 112.119 177.455 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 41.3 m-85 -74.23 139.45 44.35 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.776 -0.647 . . . . 9.33 110.535 -178.821 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 13.4 mptt 58.66 39.5 24.43 Favored 'General case' 0 N--CA 1.464 0.24 0 O-C-N 123.656 0.598 . . . . 8.26 111.353 177.733 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 23.2 tt0 -136.15 136.59 40.16 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.418 -0.356 . . . . 6.53 110.384 -179.532 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.615 ' NE ' ' HA ' ' A' ' 16' ' ' ARG . 4.7 mmp_? -120.96 52.01 1.22 Allowed 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.348 0.594 . . . . 6.69 110.36 175.805 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 65.8 mttm -125.66 123.37 38.81 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.589 -0.732 . . . . 3.96 109.648 179.274 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.566 ' OG ' HG12 ' A' ' 21' ' ' ILE . 83.7 p -78.76 -174.57 4.0 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.454 -0.339 . . . . 0.97 110.419 -178.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 35.6 tp -60.3 -47.91 84.0 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 121.501 0.667 . . . . 1.11 109.446 177.332 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -66.06 -40.97 91.35 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 114.933 -1.031 . . . . 0.94 111.582 178.821 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.566 HG12 ' OG ' ' A' ' 18' ' ' SER . 46.9 mm -68.81 -30.05 45.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 C-N-CA 120.329 -0.548 . . . . 1.64 110.439 179.724 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.708 ' O ' HG23 ' A' ' 26' ' ' VAL . 10.4 mmt85 -63.66 -44.0 95.09 Favored 'General case' 0 CA--C 1.512 -0.519 0 N-CA-C 109.449 -0.574 . . . . 2.59 109.449 175.169 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 8.7 tp-100 -60.46 -34.66 74.34 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.75 -0.659 . . . . 2.16 109.997 177.664 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -73.82 -35.19 64.83 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-O 121.111 0.481 . . . . 2.83 110.024 179.551 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.427 ' O ' HG13 ' A' ' 29' ' ' ILE . 22.8 tp10 -64.62 -48.5 74.66 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 109.245 -0.65 . . . . 2.3 109.245 177.466 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.708 HG23 ' O ' ' A' ' 22' ' ' ARG . 10.3 t -61.63 -40.37 86.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 115.652 -0.704 . . . . 1.21 109.892 175.708 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -55.33 -47.19 76.05 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 115.684 -0.689 . . . . 0.59 110.664 177.87 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -68.09 -48.44 53.5 Favored Glycine 0 N--CA 1.448 -0.506 0 CA-C-N 115.818 -0.628 . . . . 0.65 112.436 179.143 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.427 HG13 ' O ' ' A' ' 25' ' ' GLU . 78.6 mt -58.86 -51.15 75.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-O 120.74 0.305 . . . . 0.58 111.168 -178.593 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 20.4 tpt180 -70.53 -25.86 63.31 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.158 -0.474 . . . . 3.31 111.309 -173.805 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -80.3 -37.28 33.0 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.687 0.28 . . . . 0.91 111.075 178.439 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 56.9 mtmt -85.21 -27.18 26.28 Favored 'General case' 0 C--N 1.327 -0.373 0 C-N-CA 120.997 -0.281 . . . . 3.0 110.954 -177.295 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 61.5 m-85 -137.04 86.81 19.68 Favored Pre-proline 0 C--N 1.325 -0.461 0 CA-C-N 116.059 -0.519 . . . . 1.49 110.218 -177.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 30.3 Cg_endo -62.74 -29.65 77.39 Favored 'Trans proline' 0 C--N 1.343 0.258 0 C-N-CA 122.796 2.331 . . . . 0.74 112.96 -176.19 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . 0.552 ' O ' ' HA ' ' A' ' 61' ' ' PRO . 10.9 m120 -86.1 -11.14 53.5 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.516 -0.311 . . . . 2.16 111.085 -178.405 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 39.1 ttmt -92.7 142.34 27.46 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.35 0.595 . . . . 2.03 111.05 -176.268 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 86.8 mt -129.34 123.54 21.57 Favored Pre-proline 0 C--N 1.319 -0.719 0 CA-C-N 115.255 -0.884 . . . . 0.58 110.029 179.753 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.665 ' HB2' ' CE2' ' A' ' 114' ' ' PHE . 72.1 Cg_endo -82.31 115.13 2.55 Favored 'Trans proline' 0 N--CA 1.46 -0.453 0 C-N-CA 122.56 2.173 . . . . 0.53 112.276 177.15 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 8.8 p -117.95 140.14 42.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-O 121.101 0.477 . . . . 1.39 111.193 -179.11 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 94.4 t -106.74 121.14 59.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-N 115.633 -0.712 . . . . 0.4 109.959 176.722 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.412 HG22 ' HB2' ' A' ' 117' ' ' MET . 18.3 t -121.45 110.5 27.96 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 N-CA-C 109.955 -0.387 . . . . 1.03 109.955 178.541 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -134.53 162.64 31.69 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.057 0.456 . . . . 2.43 110.645 179.602 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 70.8 mtm180 -74.78 150.97 39.15 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.68 -0.691 . . . . 2.32 111.117 -174.489 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 16.4 t80 -57.23 135.1 81.06 Favored Pre-proline 0 C--N 1.323 -0.568 0 CA-C-N 115.013 -0.994 . . . . 1.74 109.095 174.17 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 11.2 Cg_endo -54.54 -28.01 53.15 Favored 'Trans proline' 0 C--N 1.346 0.438 0 C-N-CA 123.613 2.876 . . . . 1.48 113.73 -174.173 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 18.3 mtp180 -94.54 -4.07 48.65 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.943 0.402 . . . . 4.16 111.058 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 11.2 tp10 -89.14 122.25 32.26 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.104 -0.498 . . . . 2.56 110.335 -179.752 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 7.5 p -131.03 -1.79 4.07 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.066 -0.515 . . . . 3.54 111.05 178.908 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 56.8 t80 -91.66 -48.25 6.93 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.204 -0.453 . . . . 5.19 110.241 -179.731 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.44 HD22 ' C ' ' A' ' 120' ' ' ALA . 14.7 tp -66.76 134.1 94.14 Favored Pre-proline 0 C--N 1.324 -0.535 0 CA-C-N 116.033 -0.531 . . . . 1.51 110.085 -179.527 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . 0.502 ' HA ' ' HD3' ' A' ' 52' ' ' PRO . 60.6 Cg_endo -71.98 147.51 49.37 Favored 'Trans proline' 0 CA--C 1.531 0.331 0 C-N-CA 122.85 2.367 . . . . 1.69 113.082 -177.599 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . 0.502 ' HD3' ' HA ' ' A' ' 51' ' ' PRO . 13.5 Cg_exo -70.05 169.97 18.04 Favored 'Trans proline' 0 C--N 1.347 0.452 0 C-N-CA 123.205 2.603 . . . . 1.17 111.589 173.497 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.478 HD11 HG23 ' A' ' 73' ' ' ILE . 51.5 mt -100.8 166.96 10.6 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.62 -0.264 . . . . 1.22 111.184 -179.853 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.44 ' OD2' ' HG3' ' A' ' 55' ' ' LYS . 25.1 t70 -52.9 -42.06 64.99 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.087 -0.506 . . . . 2.12 111.253 178.44 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.44 ' HG3' ' OD2' ' A' ' 54' ' ' ASP . 61.8 mttp -129.69 154.65 46.94 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.283 -0.417 . . . . 2.59 110.425 -179.475 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 2.2 m -91.79 -21.62 20.58 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.938 -0.574 . . . . 1.14 109.72 174.861 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 53.8 mttp -119.88 134.98 55.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.646 -0.706 . . . . 2.14 109.999 177.381 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 94.3 m-85 -126.72 144.99 50.77 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 116.256 -0.429 . . . . 1.64 109.864 176.169 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.554 HD12 ' O ' ' A' ' 59' ' ' LEU . 3.1 pp -99.08 112.11 24.33 Favored 'General case' 0 N--CA 1.445 -0.679 0 CA-C-O 121.465 0.65 . . . . 2.22 109.506 175.256 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 23.1 m -119.73 136.47 24.82 Favored Pre-proline 0 C--N 1.319 -0.742 0 CA-C-N 115.894 -0.594 . . . . 0.59 110.552 -176.763 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . 0.552 ' HA ' ' O ' ' A' ' 35' ' ' ASN . 91.2 Cg_endo -80.15 159.4 23.54 Favored 'Trans proline' 0 N--CA 1.46 -0.468 0 C-N-CA 122.416 2.077 . . . . 0.71 112.441 -178.829 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . 0.489 ' HB3' ' HB2' ' A' ' 102' ' ' ALA . 68.7 mt-30 -61.84 -21.05 64.32 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.596 -0.729 . . . . 1.34 110.683 177.648 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 5.1 mp0 -81.39 -7.72 59.62 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.461 -0.79 . . . . 3.07 111.289 -176.046 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 22.7 tp -85.0 139.49 31.74 Favored 'General case' 0 N--CA 1.451 -0.412 0 CA-C-O 121.134 0.492 . . . . 1.44 110.57 -177.324 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 68.5 p -96.43 157.0 16.1 Favored 'General case' 0 C--N 1.316 -0.865 0 CA-C-N 115.653 -0.703 . . . . 0.68 110.584 177.372 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . 0.465 ' HG2' ' O ' ' A' ' 96' ' ' SER . 14.7 tpt -58.01 -37.4 74.21 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.024 0.44 . . . . 1.39 110.348 176.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 16.7 m -54.26 -50.3 67.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.454 -0.793 . . . . 1.33 110.891 177.224 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . 0.421 ' O ' HG13 ' A' ' 72' ' ' ILE . 95.8 mt-30 -74.5 -30.28 61.75 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.972 -0.558 . . . . 2.03 111.402 -178.239 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . 0.403 ' O ' HG13 ' A' ' 73' ' ' ILE . 24.2 t80 -68.73 -41.55 78.86 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.226 0.536 . . . . 1.33 109.698 179.682 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 65.8 tp -60.76 -36.25 78.45 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.389 -0.823 . . . . 1.43 110.188 175.697 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 16.2 m -65.3 -46.97 78.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.076 -0.511 . . . . 1.5 110.212 174.858 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.421 HG13 ' O ' ' A' ' 68' ' ' GLN . 72.6 mt -58.54 -46.18 90.0 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.111 0 CA-C-N 116.054 -0.521 . . . . 0.46 111.259 179.127 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.478 HG23 HD11 ' A' ' 53' ' ' LEU . 70.0 mt -55.46 -46.13 78.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.974 0.416 . . . . 1.08 110.817 178.568 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 47.5 ttt180 -66.94 -31.67 72.4 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.121 0.486 . . . . 3.12 110.804 179.123 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 28.1 t -75.09 -16.36 60.57 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.017 -0.538 . . . . 1.33 110.57 179.482 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 32.0 mmt180 -99.19 4.0 46.61 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.253 -0.431 . . . . 3.11 111.419 -178.608 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 16.4 mmt -58.27 126.02 25.74 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-N 116.183 -0.462 . . . . 1.28 110.649 175.316 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 53.1 t -64.58 -34.83 72.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-O 121.161 0.505 . . . . 1.66 110.086 175.681 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 95.4 mt -125.78 126.29 44.32 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 116.018 -0.537 . . . . 2.29 110.491 177.83 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 36.6 ttm180 -90.75 164.0 14.27 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 109.352 -0.61 . . . . 4.54 109.352 177.522 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . 65.09 77.92 0.29 Allowed 'General case' 0 C--O 1.233 0.216 0 CA-C-O 121.629 0.728 . . . . 2.91 110.689 -178.12 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 6.2 t -144.64 35.57 1.16 Allowed 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 114.781 -1.099 . . . . 4.3 109.665 -179.441 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER 61.25 -161.78 0.28 Allowed 'General case' 0 C--O 1.235 0.326 0 CA-C-N 115.161 -0.927 . . . . 3.64 110.814 -174.863 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -84.13 172.07 12.28 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 110.034 -0.358 . . . . 1.27 110.034 177.496 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . 0.432 ' HB2' ' O ' ' A' ' 120' ' ' ALA . 13.1 p90 -153.96 151.27 29.21 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 110.021 -0.363 . . . . 1.38 110.021 179.212 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 51.2 m-85 -106.79 139.38 41.31 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.069 0.461 . . . . 3.3 111.321 -178.732 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.484 HD11 ' CG ' ' A' ' 117' ' ' MET . 2.5 tm? -114.19 113.89 25.27 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.353 -0.84 . . . . 1.56 109.37 -178.689 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.417 ' HA ' ' HB3' ' A' ' 94' ' ' LEU . 6.6 mp -104.05 144.97 30.85 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.312 -0.403 . . . . 1.54 110.11 179.34 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 40.6 t -102.87 118.65 50.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-O 120.763 0.316 . . . . 1.31 110.229 -179.79 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 6.6 t-20 54.51 31.81 15.57 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-N 115.053 -0.976 . . . . 2.22 111.032 -179.779 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 55.7 m-80 54.4 23.5 4.5 Favored 'General case' 0 N--CA 1.468 0.435 0 CA-C-N 115.676 -0.693 . . . . 2.53 111.801 -179.103 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 64.2 tttp -114.62 -64.27 1.34 Allowed 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 120.8 0.333 . . . . 3.95 111.083 -177.19 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 44.7 m -129.7 149.5 51.43 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.843 0.354 . . . . 2.32 111.688 -173.429 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.417 ' HB3' ' HA ' ' A' ' 88' ' ' LEU . 1.6 pt? -135.33 33.32 3.06 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.466 0.651 . . . . 2.04 109.843 176.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 32.3 m -107.58 -16.39 8.53 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 CA-C-N 115.43 -0.805 . . . . 4.29 112.112 -174.653 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . 0.465 ' O ' ' HG2' ' A' ' 66' ' ' MET . 15.1 m -76.42 87.26 3.17 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.149 0.499 . . . . 1.9 110.171 -179.209 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 23.6 ptm -92.71 -29.87 15.84 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.675 -0.693 . . . . 2.85 111.357 -177.26 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 13.2 p -102.99 7.59 39.09 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 121.214 0.53 . . . . 1.6 110.982 -176.496 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -81.64 149.92 28.32 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.869 -0.605 . . . . 0.51 110.518 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . 0.471 ' O ' HG12 ' A' ' 104' ' ' ILE . 56.6 p -93.68 158.26 15.77 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 116.295 -0.411 . . . . 0.47 110.37 176.888 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' MET . . . . . 0.438 ' HE2' ' HA ' ' A' ' 101' ' ' MET . 0.0 OUTLIER -58.08 -30.35 66.15 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.873 0.368 . . . . 1.18 110.517 176.145 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . 0.489 ' HB2' ' HB3' ' A' ' 62' ' ' GLN . . . -58.39 -52.02 67.39 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.99 -0.55 . . . . 0.39 110.764 176.679 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 26.1 mt-10 -67.0 -41.19 87.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.801 -0.636 . . . . 0.53 110.596 179.349 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . 0.471 HG12 ' O ' ' A' ' 100' ' ' THR . 44.2 mm -59.91 -46.77 93.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 115.506 -0.77 . . . . 0.45 111.191 -179.869 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 45.3 t80 -60.86 -46.65 89.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.841 0.353 . . . . 1.56 110.842 178.231 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 74.6 mtp180 -59.71 -26.9 65.99 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.837 -0.619 . . . . 4.23 111.973 -176.404 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -102.98 -50.78 3.42 Favored 'General case' 0 C--N 1.325 -0.481 0 C-N-CA 120.684 -0.406 . . . . 1.77 111.787 -179.044 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 73.1 m-85 -97.78 18.5 15.58 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 113.238 0.829 . . . . 1.36 113.238 -168.139 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 62.1 pttt -64.11 125.85 25.83 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 109.042 -0.725 . . . . 1.82 109.042 170.755 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . 0.415 ' OD1' ' HG2' ' A' ' 111' ' ' GLU . 4.4 t70 -82.65 -172.03 3.83 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.61 -0.268 . . . . 1.35 111.057 -173.031 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . 0.415 ' HG2' ' OD1' ' A' ' 110' ' ' ASP . 15.5 pt-20 -63.46 -33.8 76.37 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.767 0.317 . . . . 2.97 111.605 -173.723 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . 0.434 ' HB2' ' HB3' ' A' ' 22' ' ' ARG . 4.5 p30 -85.56 -10.43 55.95 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.566 -0.288 . . . . 0.77 111.112 -177.856 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 108.93 -22.66 25.21 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.906 -0.664 . . . . 0.47 113.313 173.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' PHE . . . . . 0.665 ' CE2' ' HB2' ' A' ' 38' ' ' PRO . 15.7 m-85 -78.57 156.85 28.96 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 120.908 0.385 . . . . 1.35 110.751 178.013 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 22.8 t -94.4 138.73 19.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 N-CA-C 108.469 -0.937 . . . . 1.06 108.469 174.175 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 116' ' ' TYR . . . . . . . . . . . . . 47.0 m-85 -116.01 129.58 56.43 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 121.138 0.495 . . . . 1.31 112.244 -174.019 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 117' ' ' MET . . . . . 0.484 ' CG ' HD11 ' A' ' 87' ' ' LEU . 1.3 mpt? -120.69 125.7 48.33 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-N 115.267 -0.878 . . . . 1.19 109.716 172.607 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 9.4 m -108.66 132.48 53.87 Favored 'General case' 0 C--N 1.308 -1.208 0 CA-C-N 115.243 -0.89 . . . . 0.92 108.762 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 119' ' ' TYR . . . . . 0.452 ' HB3' ' CD2' ' A' ' 87' ' ' LEU . 2.4 p90 -133.37 141.93 48.14 Favored 'General case' 0 C--N 1.32 -0.682 0 C-N-CA 119.416 -0.914 . . . . 1.2 111.907 -178.929 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . 0.44 ' C ' HD22 ' A' ' 50' ' ' LEU . . . -132.05 174.47 10.16 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 114.719 -1.128 . . . . 0.86 108.704 177.772 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 42.3 p -72.68 -147.94 0.02 OUTLIER 'General case' 0 CA--C 1.539 0.541 0 CA-C-O 121.091 0.472 . . . . 2.69 111.965 -175.238 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 53.3 tt0 -90.22 132.36 35.54 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.168 0.508 . . . . 4.22 110.613 -175.626 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -126.25 89.27 2.98 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.449 -0.796 . . . . 6.07 109.689 179.011 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 14.0 m -107.95 -59.22 1.88 Allowed 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 115.507 -0.77 . . . . 6.51 109.829 178.071 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 68.1 t80 -162.14 -52.6 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.614 -0.721 . . . . 8.27 109.585 179.626 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.05 0 CA-C-O 118.629 -1.095 . . . . 10.03 111.583 178.813 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.693 0 N-CA-C 111.987 -0.445 . . . . 29.54 111.987 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 50.8 m -136.4 64.32 1.56 Allowed 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.141 0.495 . . . . 29.85 110.412 179.109 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 73.3 mtm -76.88 131.68 72.9 Favored Pre-proline 0 C--N 1.323 -0.567 0 CA-C-N 116.009 -0.542 . . . . 27.04 110.342 -178.788 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . 0.463 ' HA ' ' HD3' ' A' ' 3' ' ' PRO . 36.7 Cg_endo -65.44 136.94 48.89 Favored 'Trans proline' 0 C--O 1.232 0.216 0 C-N-CA 123.064 2.509 . . . . 24.48 112.654 -177.131 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . 0.463 ' HD3' ' HA ' ' A' ' 2' ' ' PRO . 31.2 Cg_exo -60.09 123.72 13.77 Favored 'Trans proline' 0 C--O 1.234 0.322 0 C-N-CA 122.82 2.347 . . . . 22.87 112.274 177.68 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 59.6 Cg_endo -73.53 -175.15 1.91 Allowed 'Trans proline' 0 N--CA 1.464 -0.256 0 C-N-CA 122.732 2.288 . . . . 21.43 112.006 179.35 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 33.7 tt0 63.01 43.45 6.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.696 0.76 . . . . 20.6 109.401 -176.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 63.4 tttm -81.52 99.62 8.9 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.253 -0.885 . . . . 18.97 109.352 178.247 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 66.6 mt -99.96 107.84 48.77 Favored Pre-proline 0 C--N 1.321 -0.665 0 CA-C-N 116.288 -0.414 . . . . 16.36 110.386 -178.273 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 61.2 Cg_endo -74.51 107.13 2.39 Favored 'Trans proline' 0 N--CA 1.461 -0.429 0 C-N-CA 122.635 2.223 . . . . 15.48 112.457 -178.83 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 20.3 m -84.6 47.17 1.33 Allowed 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.32 0.581 . . . . 13.76 110.067 176.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.428 ' O ' ' HD3' ' A' ' 12' ' ' PRO . 39.5 t -92.27 95.56 5.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-N 115.824 -0.625 . . . . 11.94 110.169 -178.107 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 22.1 mmm180 -112.52 92.48 19.82 Favored Pre-proline 0 C--N 1.321 -0.662 0 CA-C-N 115.961 -0.563 . . . . 12.04 110.048 179.296 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.428 ' HD3' ' O ' ' A' ' 10' ' ' VAL . 8.8 Cg_exo -72.72 143.33 37.35 Favored 'Trans proline' 0 N--CA 1.462 -0.364 0 C-N-CA 122.794 2.33 . . . . 8.79 111.919 179.434 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 88.1 m-85 -126.5 143.57 51.15 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.361 -0.381 . . . . 9.33 110.401 178.805 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 24.9 pttm -140.19 43.5 1.91 Allowed 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.287 0.565 . . . . 8.26 109.745 177.179 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 25.3 mt-30 -69.44 91.88 0.58 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.509 -0.769 . . . . 6.53 110.055 -179.542 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 11.6 ptm180 -119.37 153.98 34.32 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.565 -0.743 . . . . 6.69 110.938 -173.274 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 21.2 pttm -157.53 123.14 4.62 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.801 -0.636 . . . . 3.96 110.749 178.259 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 78.9 p -94.38 -178.34 4.55 Favored 'General case' 0 C--N 1.318 -0.794 0 N-CA-C 109.303 -0.629 . . . . 0.97 109.303 171.012 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 38.4 tp -66.07 -47.49 74.12 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 121.348 0.594 . . . . 1.11 109.46 175.323 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -58.6 -46.91 85.99 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.281 -0.872 . . . . 0.94 111.652 178.006 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.437 ' O ' ' HB2' ' A' ' 24' ' ' GLU . 77.6 mt -66.5 -29.67 47.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.98 0.419 . . . . 1.64 110.889 179.318 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.555 HH12 ' HD3' ' A' ' 57' ' ' LYS . 16.4 tpt180 -69.4 -39.58 77.85 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 109.374 -0.602 . . . . 2.59 109.374 179.05 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . 0.402 ' HG2' ' HA ' ' A' ' 112' ' ' ASP . 78.6 mt-30 -65.63 -30.42 71.13 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.597 -0.729 . . . . 2.16 109.953 172.886 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.437 ' HB2' ' O ' ' A' ' 21' ' ' ILE . 34.3 mt-10 -67.25 -44.82 78.46 Favored 'General case' 0 CA--C 1.52 -0.184 0 CA-C-O 120.637 0.256 . . . . 2.83 110.631 174.757 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 -57.31 -48.99 77.53 Favored 'General case' 0 CA--C 1.517 -0.3 0 CA-C-N 115.915 -0.584 . . . . 2.3 110.096 175.849 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -62.72 -39.16 83.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 115.842 -0.617 . . . . 1.21 111.153 179.465 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -60.61 -46.61 89.64 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.116 -0.493 . . . . 0.59 110.576 177.59 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -64.68 -42.7 97.12 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.815 -0.707 . . . . 0.65 111.854 178.003 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 96.7 mt -59.83 -48.78 86.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 115.847 -0.176 . . . . 0.58 111.08 177.537 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 97.2 mtt180 -61.94 -32.99 73.45 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.934 0.397 . . . . 3.31 111.097 179.278 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -70.81 -33.1 70.36 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.993 -0.549 . . . . 0.91 111.259 -179.33 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 14.7 mmmm -94.05 -42.28 9.1 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.612 -0.267 . . . . 3.0 111.679 -177.728 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.52 ' HB3' ' HB2' ' A' ' 36' ' ' LYS . 87.4 m-85 -127.98 77.38 76.63 Favored Pre-proline 0 C--N 1.322 -0.597 0 CA-C-N 116.621 -0.263 . . . . 1.49 111.057 -176.015 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 42.6 Cg_endo -67.93 -27.9 36.33 Favored 'Trans proline' 0 CA--C 1.529 0.226 0 C-N-CA 122.667 2.244 . . . . 0.74 113.206 -178.245 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 64.7 t30 -86.67 -8.51 57.38 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.305 0.574 . . . . 2.16 110.406 -178.28 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.52 ' HB2' ' HB3' ' A' ' 33' ' ' PHE . 13.8 mptt -101.24 159.2 15.45 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.918 -0.583 . . . . 2.03 110.764 179.777 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 92.4 mt -119.42 127.16 26.6 Favored Pre-proline 0 C--N 1.318 -0.784 0 CA-C-N 115.38 -0.827 . . . . 0.58 110.4 -178.611 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.503 ' HB2' ' CD2' ' A' ' 114' ' ' PHE . 59.0 Cg_endo -74.54 103.39 1.69 Allowed 'Trans proline' 0 N--CA 1.461 -0.436 0 C-N-CA 122.613 2.209 . . . . 0.53 112.102 177.179 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.508 HG12 ' O ' ' A' ' 58' ' ' PHE . 14.7 p -108.4 142.31 21.36 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-N 116.125 -0.489 . . . . 1.39 110.562 -179.407 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.494 ' HA ' ' O ' ' A' ' 56' ' ' THR . 53.5 t -124.06 130.09 73.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-N 116.058 -0.519 . . . . 0.4 110.17 179.811 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -97.58 126.32 50.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-O 121.208 0.528 . . . . 1.03 111.125 179.226 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.504 ' O ' ' HA ' ' A' ' 118' ' ' THR . 33.0 mt-10 -121.03 141.61 50.59 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.629 -0.714 . . . . 2.43 109.849 178.908 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.498 ' HD2' ' O ' ' A' ' 50' ' ' LEU . 19.5 ttp180 -85.84 138.89 31.73 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 109.889 -0.412 . . . . 2.32 109.889 -178.343 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . 0.486 ' CB ' ' HB2' ' A' ' 120' ' ' ALA . 7.6 t80 -64.71 127.78 92.87 Favored Pre-proline 0 C--N 1.324 -0.511 0 CA-C-N 115.948 -0.569 . . . . 1.74 109.669 178.495 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 19.7 Cg_endo -58.48 -26.0 76.3 Favored 'Trans proline' 0 C--N 1.344 0.319 0 C-N-CA 123.238 2.625 . . . . 1.48 113.359 -173.735 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.404 HH11 ' HD2' ' A' ' 46' ' ' ARG . 5.0 mpt_? -84.01 -19.54 34.32 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.789 0.328 . . . . 4.16 110.684 179.571 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -88.51 139.27 30.65 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.21 -0.45 . . . . 2.56 111.141 -174.508 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 10.1 p -125.99 -14.52 6.07 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.973 -0.558 . . . . 3.54 111.584 178.127 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 83.3 t80 -90.67 -41.82 11.08 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.567 -0.288 . . . . 5.19 111.271 -175.917 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.498 ' O ' ' HD2' ' A' ' 43' ' ' ARG . 0.6 OUTLIER -70.67 115.13 32.4 Favored Pre-proline 0 C--N 1.328 -0.368 0 N-CA-C 109.492 -0.559 . . . . 1.51 109.492 -178.447 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . 0.479 ' HG3' ' O ' ' A' ' 79' ' ' LEU . 84.7 Cg_endo -76.93 158.17 34.62 Favored 'Trans proline' 0 C--O 1.234 0.298 0 C-N-CA 123.093 2.528 . . . . 1.69 113.583 -174.119 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 46.3 Cg_endo -69.8 157.96 58.53 Favored 'Trans proline' 0 N--CA 1.461 -0.415 0 C-N-CA 122.55 2.167 . . . . 1.17 110.597 168.782 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 5.6 mp -91.06 160.77 15.42 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 116.664 -0.244 . . . . 1.22 111.456 -177.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -56.59 -36.32 69.25 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.372 0.606 . . . . 2.12 110.462 179.659 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 65.3 mttm -117.4 128.84 55.41 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.805 -0.634 . . . . 2.59 110.025 174.357 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.494 ' O ' ' HA ' ' A' ' 40' ' ' VAL . 3.1 m -87.13 -28.81 22.26 Favored 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 109.03 -0.73 . . . . 1.14 109.03 176.91 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.555 ' HD3' HH12 ' A' ' 22' ' ' ARG . 46.2 mtmt -120.16 111.48 17.89 Favored 'General case' 0 N--CA 1.451 -0.402 0 CA-C-N 115.119 -0.946 . . . . 2.14 109.017 175.678 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.508 ' O ' HG12 ' A' ' 39' ' ' VAL . 4.9 p90 -135.59 146.18 47.69 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-O 121.091 0.472 . . . . 1.64 111.16 -179.598 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -94.55 124.68 38.73 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.789 -0.642 . . . . 2.22 110.743 -175.634 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.412 ' HA ' ' HD3' ' A' ' 61' ' ' PRO . 15.0 m -122.89 132.18 24.3 Favored Pre-proline 0 C--N 1.322 -0.599 0 CA-C-N 116.033 -0.531 . . . . 0.59 110.307 176.697 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . 0.412 ' HD3' ' HA ' ' A' ' 60' ' ' VAL . 32.5 Cg_exo -58.67 146.18 92.89 Favored 'Trans proline' 0 C--N 1.343 0.245 0 C-N-CA 122.618 2.212 . . . . 0.71 112.096 178.853 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . 0.493 ' HB2' ' HB2' ' A' ' 102' ' ' ALA . 12.0 pt20 -68.1 -11.96 60.01 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.226 -0.443 . . . . 1.34 110.95 -179.435 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 13.9 tp10 -78.91 -6.73 56.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.741 -0.663 . . . . 3.07 110.158 178.526 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 18.7 tp -82.44 142.2 32.12 Favored 'General case' 0 N--CA 1.443 -0.779 0 CA-C-N 115.713 -0.676 . . . . 1.44 110.313 -177.675 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.413 ' HA ' ' HA ' ' A' ' 100' ' ' THR . 68.5 p -96.54 162.63 13.38 Favored 'General case' 0 C--N 1.313 -1.012 0 CA-C-N 115.726 -0.67 . . . . 0.68 110.154 175.703 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 73.7 mmm -60.3 -32.15 70.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.803 0.335 . . . . 1.39 110.794 176.336 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 86.1 m -63.75 -50.63 68.33 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.029 0.443 . . . . 1.33 111.214 179.644 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 51.7 mt-30 -68.4 -28.26 66.94 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.157 0.504 . . . . 2.03 110.023 179.712 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . 0.467 ' CZ ' HD11 ' A' ' 73' ' ' ILE . 75.3 t80 -69.3 -40.7 77.54 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.416 -0.811 . . . . 1.33 109.99 177.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 49.1 tp -53.69 -42.78 68.33 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.204 -0.907 . . . . 1.43 110.275 175.326 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 12.2 t -65.59 -37.59 87.06 Favored 'General case' 0 C--O 1.235 0.325 0 CA-C-N 115.788 -0.642 . . . . 1.5 110.55 178.024 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 54.0 mt -65.6 -41.87 91.63 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-N 116.379 -0.373 . . . . 0.46 110.742 179.133 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.552 ' O ' ' HG3' ' A' ' 77' ' ' MET . 49.1 mm -56.28 -49.7 75.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.991 0.425 . . . . 1.08 110.242 178.286 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 62.3 ttt180 -63.23 -31.01 72.05 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.682 -0.69 . . . . 3.12 111.109 179.707 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 29.8 t -77.43 -30.05 53.23 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.17 -0.468 . . . . 1.33 111.169 -177.421 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 7.8 tpp180 -95.55 2.32 54.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.92 0.39 . . . . 3.11 110.932 -176.244 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . 0.552 ' HG3' ' O ' ' A' ' 73' ' ' ILE . 51.5 mtt -64.59 132.21 49.18 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.217 0.532 . . . . 1.28 111.131 179.122 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 87.8 t -67.52 -47.17 81.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 115.34 -0.845 . . . . 1.66 110.375 177.625 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.479 ' O ' ' HG3' ' A' ' 51' ' ' PRO . 3.0 tm? -111.08 125.09 53.39 Favored 'General case' 0 C--N 1.314 -0.941 0 N-CA-C 108.534 -0.914 . . . . 2.29 108.534 176.538 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 82.3 mtm180 -83.67 120.19 25.69 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 120.962 0.411 . . . . 4.54 111.018 -176.482 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -100.93 -27.06 13.51 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.436 0.636 . . . . 2.91 110.071 176.218 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 72.0 p 53.82 18.33 1.55 Allowed 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 114.102 -1.408 . . . . 4.3 113.695 176.229 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -118.96 -169.26 1.7 Allowed 'General case' 0 C--N 1.323 -0.556 0 O-C-N 122.339 -0.226 . . . . 3.64 110.622 179.357 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -74.21 137.78 43.29 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.221 0.534 . . . . 1.27 111.807 -176.412 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 28.3 p90 -146.44 144.24 29.55 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.33 -0.85 . . . . 1.38 109.289 175.012 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . 0.628 ' CZ ' ' HB3' ' A' ' 120' ' ' ALA . 36.8 p90 -103.07 139.69 38.28 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 121.239 0.543 . . . . 3.3 111.093 -177.548 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.479 ' H ' HG13 ' A' ' 95' ' ' VAL . 59.7 tp -119.82 115.64 24.26 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.181 -0.918 . . . . 1.56 110.554 -175.333 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 5.6 mp -94.5 141.85 28.11 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 109.723 -0.473 . . . . 1.54 109.723 176.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.523 HG11 HG23 ' A' ' 104' ' ' ILE . 60.8 t -102.5 110.63 29.71 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.802 0 N-CA-C 109.581 -0.525 . . . . 1.31 109.581 178.36 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 9.2 t-20 51.58 31.86 8.25 Favored 'General case' 0 N--CA 1.465 0.297 0 O-C-N 124.145 0.903 . . . . 2.22 110.52 -176.795 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 44.6 m-80 57.64 22.25 8.09 Favored 'General case' 0 N--CA 1.467 0.401 0 CA-C-N 115.148 -0.933 . . . . 2.53 111.904 -178.48 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 44.0 mmtm -109.73 -67.48 0.98 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.0 0.429 . . . . 3.95 110.35 178.453 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 32.9 t -88.0 149.94 23.72 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.872 -0.604 . . . . 2.32 110.468 -176.808 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.484 ' HG ' HG22 ' A' ' 95' ' ' VAL . 63.8 tp -120.36 109.4 15.31 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.321 -0.399 . . . . 2.04 110.513 -179.241 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.484 HG22 ' HG ' ' A' ' 94' ' ' LEU . 16.1 m 35.13 57.85 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.834 0 N-CA-C 114.061 1.134 . . . . 4.29 114.061 178.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 24.4 t -76.11 89.07 3.03 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 108.795 -0.817 . . . . 1.9 108.795 172.38 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 89.4 mtp -72.03 -19.1 61.9 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.782 -0.645 . . . . 2.85 111.896 -172.022 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 22.4 t -87.72 -8.46 56.03 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 120.97 0.414 . . . . 1.6 110.415 -178.828 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -85.58 141.05 30.11 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.128 -0.487 . . . . 0.51 110.976 179.716 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . 0.449 ' OG1' ' HG3' ' A' ' 103' ' ' GLU . 73.4 p -86.09 153.97 21.72 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 109.47 -0.567 . . . . 0.47 109.47 175.236 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 29.1 tpp -62.82 -26.25 68.65 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.014 0.435 . . . . 1.18 110.167 -179.237 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . 0.493 ' HB2' ' HB2' ' A' ' 62' ' ' GLN . . . -62.76 -50.96 69.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.738 -0.665 . . . . 0.39 110.801 176.905 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . 0.449 ' HG3' ' OG1' ' A' ' 100' ' ' THR . 31.7 mt-10 -59.9 -42.64 94.28 Favored 'General case' 0 CA--C 1.518 -0.271 0 CA-C-O 121.264 0.554 . . . . 0.53 110.08 176.937 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . 0.523 HG23 HG11 ' A' ' 89' ' ' VAL . 29.7 mm -57.38 -48.36 82.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-N 114.849 -1.068 . . . . 0.45 111.131 179.479 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' TYR . . . . . 0.436 ' O ' ' HB3' ' A' ' 109' ' ' LYS . 7.8 t80 -64.23 -48.71 74.77 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.316 -0.402 . . . . 1.56 110.715 -179.403 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 65.4 mtp180 -56.01 -36.39 67.89 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.707 -0.679 . . . . 4.23 112.093 -176.414 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -95.4 -50.91 4.8 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.913 0.387 . . . . 1.77 111.703 -175.186 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 76.3 m-85 -97.44 16.11 21.16 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 112.786 0.661 . . . . 1.36 112.786 -168.427 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . 0.436 ' HB3' ' O ' ' A' ' 105' ' ' TYR . 24.2 pttm -61.01 138.37 58.19 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.866 0.365 . . . . 1.82 110.149 173.586 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -85.39 -176.61 6.19 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 109.347 -0.612 . . . . 1.35 109.347 178.374 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -66.15 -33.46 75.82 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.178 0.513 . . . . 2.97 110.47 -178.909 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . 0.402 ' HA ' ' HG2' ' A' ' 23' ' ' GLN . 16.1 p30 -76.69 -12.39 59.99 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.682 -0.69 . . . . 0.77 111.187 -178.764 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 94.45 5.85 61.53 Favored Glycine 0 N--CA 1.448 -0.553 0 C-N-CA 120.92 -0.657 . . . . 0.47 113.047 176.715 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' PHE . . . . . 0.503 ' CD2' ' HB2' ' A' ' 38' ' ' PRO . 60.0 m-85 -97.12 160.37 14.38 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.935 0.398 . . . . 1.35 110.805 177.856 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 56.2 t -106.49 109.06 26.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 N-CA-C 109.222 -0.659 . . . . 1.06 109.222 172.471 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 116' ' ' TYR . . . . . 0.431 ' CE1' ' HB2' ' A' ' 114' ' ' PHE . 89.4 m-85 -95.4 126.55 40.78 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 116.336 -0.393 . . . . 1.31 110.307 -179.068 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 117' ' ' MET . . . . . 0.449 ' HB3' HD11 ' A' ' 87' ' ' LEU . 63.9 mtt -123.01 127.58 49.0 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 116.145 -0.48 . . . . 1.19 110.505 179.506 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 118' ' ' THR . . . . . 0.504 ' HA ' ' O ' ' A' ' 42' ' ' GLU . 35.8 m -102.37 132.79 48.14 Favored 'General case' 0 C--N 1.317 -0.841 0 CA-C-N 115.729 -0.669 . . . . 0.92 109.434 179.734 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 119' ' ' TYR . . . . . 0.506 ' O ' ' HD1' ' A' ' 119' ' ' TYR . 0.0 OUTLIER -131.36 158.35 40.95 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 112.509 0.559 . . . . 1.2 112.509 -177.057 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . 0.628 ' HB3' ' CZ ' ' A' ' 86' ' ' TYR . . . -152.87 168.81 24.55 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.415 -0.811 . . . . 0.86 109.304 173.106 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 19.8 t -83.73 -62.57 1.54 Allowed 'General case' 0 C--N 1.32 -0.683 0 N-CA-C 109.604 -0.517 . . . . 2.69 109.604 -179.388 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 13.6 mm100 -150.59 -175.88 5.28 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.408 -0.814 . . . . 4.22 109.588 -178.616 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 71.2 mm-40 -69.92 -61.31 1.83 Allowed 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 109.789 -0.448 . . . . 6.07 109.789 174.684 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 8.1 m 56.84 65.05 1.49 Allowed 'General case' 0 C--O 1.236 0.373 0 CA-C-N 115.513 -0.767 . . . . 6.51 110.169 -177.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 74.6 m-85 69.72 177.3 0.27 Allowed 'General case' 0 C--O 1.234 0.25 0 CA-C-N 114.82 -1.082 . . . . 8.27 111.186 -179.629 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.951 0 CA-C-O 118.298 -1.279 . . . . 10.03 111.297 178.277 . . . . . . . . 0 0 . 1 stop_ save_