data_2js2_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 2js2 _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 42.5 t . . . . . 0 N--CA 1.449 -0.496 0 CA-C-O 121.546 0.688 . . . . 0.0 112.341 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.453 HG12 HD23 ' A' ' 33' ' ' LEU . 15.8 m -119.52 -173.4 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.784 0 CA-C-N 114.778 -1.101 . . . . 0.0 109.304 175.225 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 11.0 p -140.45 144.89 26.7 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.75 0 C-N-CA 120.431 -0.508 . . . . 0.0 110.85 -178.497 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . 0.423 ' HB3' ' O ' ' A' ' 26' ' ' LYS . . . -87.54 146.08 25.94 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-O 121.229 0.538 . . . . 0.0 111.124 179.185 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 12.4 mmmm -94.0 -44.98 7.8 Favored 'General case' 0 C--N 1.316 -0.869 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.232 179.694 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 87.2 m-85 -136.99 157.08 47.55 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.637 -179.028 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -60.81 131.06 49.49 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.133 178.733 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . 0.584 ' HB3' HG13 ' A' ' 25' ' ' ILE . 43.8 t80 -134.55 111.39 10.03 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 116.139 -0.482 . . . . 0.0 109.815 173.886 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 41.3 t -80.86 140.0 17.27 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 CA-C-N 115.762 -0.654 . . . . 0.0 109.594 178.551 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . 0.485 ' HB1' ' HB2' ' A' ' 22' ' ' GLU . . . -92.37 153.5 19.14 Favored 'General case' 0 N--CA 1.444 -0.73 0 N-CA-C 109.149 -0.686 . . . . 0.0 109.149 -179.27 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 7.5 tt0 -66.72 -62.83 1.25 Allowed 'General case' 0 C--N 1.315 -0.897 0 N-CA-C 109.773 -0.454 . . . . 0.0 109.773 178.628 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . 0.782 ' HB2' ' HG2' ' A' ' 21' ' ' GLN . 78.5 mm-40 -131.24 176.88 7.91 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.543 -0.753 . . . . 0.0 109.135 171.935 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 -66.07 -3.43 5.45 Favored 'General case' 0 N--CA 1.468 0.448 0 CA-C-O 121.143 0.497 . . . . 0.0 111.4 175.852 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.782 ' HG2' ' HB2' ' A' ' 19' ' ' GLN . 14.0 pt20 -70.28 -21.88 62.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.448 0.642 . . . . 0.0 109.474 171.564 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.485 ' HB2' ' HB1' ' A' ' 17' ' ' ALA . 12.3 mm-40 -108.46 -179.24 3.82 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.005 -0.998 . . . . 0.0 108.796 179.457 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.658 ' HG ' HG22 ' A' ' 43' ' ' VAL . 0.8 OUTLIER -108.69 127.88 54.37 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 109.643 -0.503 . . . . 0.0 109.643 178.532 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -99.56 134.16 42.85 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 109.514 -0.551 . . . . 0.0 109.514 176.55 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.584 HG13 ' HB3' ' A' ' 15' ' ' TYR . 1.1 pp -130.98 152.94 38.41 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-O 121.068 0.461 . . . . 0.0 110.612 -177.293 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.423 ' O ' ' HB3' ' A' ' 11' ' ' ALA . 19.2 tptp -116.56 150.85 37.32 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 109.145 -0.687 . . . . 0.0 109.145 -176.017 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 62.4 tttm -56.24 129.67 41.23 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.758 0.313 . . . . 0.0 111.331 -179.239 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 6.3 m120 65.18 15.7 10.15 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 115.448 -0.797 . . . . 0.0 112.382 177.358 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -93.78 148.43 22.13 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 109.886 -0.413 . . . . 0.0 109.886 -179.073 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.523 ' O ' HD11 ' A' ' 31' ' ' LEU . 17.0 ptt-85 -88.22 132.66 34.27 Favored 'General case' 0 C--N 1.316 -0.87 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.863 -176.698 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.523 HD11 ' O ' ' A' ' 30' ' ' ARG . 1.5 mm? -120.11 165.45 14.72 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 109.904 -0.406 . . . . 0.0 109.904 177.505 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 16.2 m-90 -102.63 124.47 48.24 Favored 'General case' 0 C--N 1.316 -0.887 0 N-CA-C 109.835 -0.432 . . . . 0.0 109.835 178.451 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.569 ' HA ' HG12 ' A' ' 43' ' ' VAL . 50.1 tp -100.56 127.2 47.01 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.092 0.472 . . . . 0.0 111.797 -172.355 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -108.3 -61.46 1.59 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.67 -0.695 . . . . 0.0 110.369 178.781 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . 0.604 ' HB2' ' HB3' ' A' ' 42' ' ' ARG . 2.7 m-20 . . . . . 0 C--N 1.328 -0.345 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.82 -179.127 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' TRP . . . . . 0.594 ' HB3' ' HB3' ' A' ' 52' ' ' PHE . 20.2 m95 . . . . . 0 N--CA 1.451 -0.377 0 CA-C-O 120.806 0.336 . . . . 0.0 110.15 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 47.2 m0 -80.31 143.49 33.58 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.314 0.578 . . . . 0.0 111.647 -175.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.604 ' HB3' ' HB2' ' A' ' 35' ' ' ASP . 45.6 ttt180 -95.59 107.86 20.08 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 115.157 -0.928 . . . . 0.0 109.538 179.459 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.658 HG22 ' HG ' ' A' ' 23' ' ' LEU . 6.4 m -131.43 165.42 31.68 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 CA-C-O 121.435 0.636 . . . . 0.0 112.182 -174.912 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . 0.56 ' HG3' ' O ' ' A' ' 49' ' ' LYS . 28.3 ttm180 -124.71 137.12 54.36 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 114.596 -1.183 . . . . 0.0 108.812 172.898 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 30.3 p30 -100.89 -174.11 2.54 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-O 120.971 0.415 . . . . 0.0 111.61 -178.809 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 6.8 m -67.23 -17.11 64.67 Favored 'General case' 0 CA--C 1.531 0.216 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.896 177.712 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 14.5 tpt -82.95 11.62 5.93 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.939 -0.573 . . . . 0.0 109.82 179.706 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 6.5 p30 48.71 28.77 1.95 Allowed 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 124.469 1.108 . . . . 0.0 112.594 178.105 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.56 ' O ' ' HG3' ' A' ' 44' ' ' ARG . 69.0 mmtt -107.28 166.5 10.59 Favored 'General case' 0 N--CA 1.448 -0.552 0 N-CA-C 109.264 -0.643 . . . . 0.0 109.264 173.755 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' THR . . . . . 0.45 ' HA ' HD22 ' A' ' 23' ' ' LEU . 3.7 m -137.68 152.6 49.46 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 120.92 0.39 . . . . 0.0 110.731 -176.572 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 174.34 -163.75 34.57 Favored Glycine 0 N--CA 1.444 -0.792 0 CA-C-N 115.75 -0.659 . . . . 0.0 111.527 -178.488 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.594 ' HB3' ' HB3' ' A' ' 40' ' ' TRP . 11.9 m-30 -105.9 143.44 34.03 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 120.806 0.336 . . . . 0.0 110.321 -179.727 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.485 ' CG2' HG22 ' A' ' 58' ' ' VAL . 16.1 m -128.13 150.52 74.1 Favored Pre-proline 0 C--N 1.322 -0.602 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.671 178.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . 0.459 ' O ' HG21 ' A' ' 58' ' ' VAL . 64.4 Cg_endo -73.51 130.3 14.76 Favored 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 123.46 2.773 . . . . 0.0 112.529 179.024 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 11.9 p -67.35 -11.84 58.67 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.905 -0.589 . . . . 0.0 112.186 -176.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 85.7 m-20 -80.36 -20.03 45.07 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.761 0.315 . . . . 0.0 111.024 178.283 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 92.0 m-85 -109.4 -17.04 13.88 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.147 -178.388 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.569 HG13 HD12 ' A' ' 25' ' ' ILE . 20.5 m -128.41 148.11 32.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-O 120.513 0.197 . . . . 0.0 111.028 -178.794 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 57.8 mt-10 . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.043 178.755 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 37.8 t . . . . . 0 N--CA 1.453 -0.318 0 CA-C-O 121.204 0.526 . . . . 0.0 111.289 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.473 ' HB ' ' O ' ' A' ' 59' ' ' GLU . 19.0 m -105.02 175.88 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 CA-C-N 115.091 -0.959 . . . . 0.0 109.317 176.829 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 12.3 p -135.47 154.71 35.63 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.928 0 N-CA-C 109.641 -0.503 . . . . 0.0 109.641 -178.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . 0.408 ' HA ' ' HA ' ' A' ' 58' ' ' VAL . . . -100.36 146.79 26.55 Favored 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 112.184 0.438 . . . . 0.0 112.184 -177.107 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.607 ' HG2' ' HG2' ' A' ' 59' ' ' GLU . 62.8 mmtt -79.67 -55.71 4.82 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.911 176.192 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 83.8 m-85 -136.85 161.76 35.09 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.411 -0.359 . . . . 0.0 111.473 -175.091 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -50.75 129.53 23.11 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-N 115.398 -0.819 . . . . 0.0 112.569 176.739 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . 0.572 ' HB3' HG13 ' A' ' 25' ' ' ILE . 7.0 t80 -136.49 109.54 7.71 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 109.295 -0.631 . . . . 0.0 109.295 167.457 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 65.9 t -93.38 129.96 43.08 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.652 0 CA-C-N 115.777 -0.647 . . . . 0.0 109.923 -179.347 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -89.13 125.97 35.26 Favored 'General case' 0 C--N 1.316 -0.869 0 N-CA-C 109.407 -0.59 . . . . 0.0 109.407 179.786 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -64.7 -26.85 68.55 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.226 0.536 . . . . 0.0 110.519 -178.327 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 25.7 mm-40 -134.42 143.93 47.87 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.796 -0.638 . . . . 0.0 109.482 175.784 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.42 ' OE2' ' HE3' ' A' ' 49' ' ' LYS . 47.7 mt-10 -70.53 -1.84 12.21 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 111.893 0.331 . . . . 0.0 111.893 -179.524 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 7.4 pt20 -62.92 -27.48 69.4 Favored 'General case' 0 CA--C 1.532 0.275 0 N-CA-C 109.15 -0.685 . . . . 0.0 109.15 172.639 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 73.3 mm-40 -101.47 -176.89 3.27 Favored 'General case' 0 N--CA 1.453 -0.279 0 CA-C-N 115.161 -0.927 . . . . 0.0 109.513 178.192 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.835 ' HG ' HG21 ' A' ' 43' ' ' VAL . 0.7 OUTLIER -103.15 128.34 50.12 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-O 121.286 0.565 . . . . 0.0 110.096 -176.959 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -96.89 127.1 42.53 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.57 -0.741 . . . . 0.0 110.266 179.545 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.572 HG13 ' HB3' ' A' ' 15' ' ' TYR . 1.0 OUTLIER -132.3 160.32 42.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 121.174 0.512 . . . . 0.0 111.315 -175.805 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.502 ' HB3' ' HB2' ' A' ' 29' ' ' GLU . 2.8 tppp? -128.54 160.29 32.81 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 109.444 -0.576 . . . . 0.0 109.444 -176.271 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.425 ' HG3' ' O ' ' A' ' 12' ' ' LYS . 83.8 tttt -55.8 124.81 18.76 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-N 117.819 0.281 . . . . 0.0 110.548 176.052 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 6.4 t30 66.43 22.51 10.71 Favored 'General case' 0 N--CA 1.466 0.367 0 CA-C-N 115.543 -0.753 . . . . 0.0 110.977 177.533 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.502 ' HB2' ' HB3' ' A' ' 26' ' ' LYS . 10.1 tp10 -88.96 144.9 25.85 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 109.821 -0.437 . . . . 0.0 109.821 177.43 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.609 ' O ' HD12 ' A' ' 31' ' ' LEU . 5.2 ptp85 -92.97 132.35 37.15 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 116.451 -0.34 . . . . 0.0 110.27 -177.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.609 HD12 ' O ' ' A' ' 30' ' ' ARG . 1.8 mm? -124.83 165.51 17.89 Favored 'General case' 0 C--N 1.322 -0.629 0 C-N-CA 120.755 -0.378 . . . . 0.0 110.205 178.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 19.6 m-90 -102.61 122.88 45.28 Favored 'General case' 0 C--N 1.319 -0.76 0 N-CA-C 109.758 -0.46 . . . . 0.0 109.758 176.766 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.533 ' HA ' HG13 ' A' ' 43' ' ' VAL . 35.7 tp -102.1 128.12 48.71 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.042 0.449 . . . . 0.0 111.644 -172.617 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.413 HD22 ' N ' ' A' ' 34' ' ' LEU . 1.9 mm? -109.9 -48.57 3.19 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.198 179.609 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . 0.58 ' OD1' ' HD3' ' A' ' 42' ' ' ARG . 7.3 m-20 . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.664 -177.888 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 71.5 m95 . . . . . 0 CA--C 1.518 -0.28 0 CA-C-O 121.112 0.482 . . . . 0.0 110.39 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 50.6 m0 -80.72 142.37 33.92 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.457 -0.792 . . . . 0.0 111.499 -175.047 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.58 ' HD3' ' OD1' ' A' ' 35' ' ' ASP . 42.2 ttt180 -95.26 111.38 23.25 Favored 'General case' 0 C--N 1.317 -0.832 0 CA-C-N 114.952 -1.022 . . . . 0.0 109.675 -176.454 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.835 HG21 ' HG ' ' A' ' 23' ' ' LEU . 3.9 m -132.73 168.17 24.85 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-O 121.4 0.619 . . . . 0.0 112.502 -173.351 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 39.5 ttm180 -130.29 135.31 47.96 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 114.545 -1.207 . . . . 0.0 108.666 174.458 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . 0.564 ' HB3' HD12 ' A' ' 23' ' ' LEU . 33.1 p30 -98.3 179.26 4.79 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 121.037 0.446 . . . . 0.0 111.54 -178.785 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 18.4 m -69.76 -8.61 49.55 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.671 -0.695 . . . . 0.0 111.428 -178.204 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' MET . . . . . 0.914 ' HA ' ' HE1' ' A' ' 47' ' ' MET . 2.7 tpt -91.23 4.69 51.64 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.069 0.461 . . . . 0.0 109.88 177.292 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 32.9 m-80 72.02 8.39 5.95 Favored 'General case' 0 N--CA 1.468 0.426 0 CA-C-N 115.325 -0.852 . . . . 0.0 111.476 173.094 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.42 ' HE3' ' OE2' ' A' ' 20' ' ' GLU . 74.6 mmtt -83.98 160.08 21.11 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 108.593 -0.892 . . . . 0.0 108.593 174.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' THR . . . . . 0.48 ' HA ' HD22 ' A' ' 23' ' ' LEU . 3.4 m -135.65 152.46 51.23 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 110.041 -0.355 . . . . 0.0 110.041 -179.295 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 171.38 -165.48 38.49 Favored Glycine 0 N--CA 1.451 -0.309 0 N-CA-C 111.528 -0.629 . . . . 0.0 111.528 -178.501 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 99.8 m-85 -107.82 152.3 24.57 Favored 'General case' 0 N--CA 1.452 -0.356 0 CA-C-O 121.122 0.487 . . . . 0.0 110.578 -179.8 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.447 HG12 ' HB3' ' A' ' 23' ' ' LEU . 23.6 m -133.65 150.72 75.6 Favored Pre-proline 0 C--N 1.322 -0.609 0 CA-C-N 115.719 -0.673 . . . . 0.0 111.399 179.301 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 58.6 Cg_endo -71.32 123.86 9.92 Favored 'Trans proline' 0 N--CA 1.464 -0.26 0 C-N-CA 123.165 2.576 . . . . 0.0 111.856 176.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 9.3 p -60.94 -22.5 64.46 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.141 0.496 . . . . 0.0 111.464 -178.816 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 14.3 m120 -69.28 -22.14 63.84 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.511 -179.216 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 83.7 m-85 -113.26 -2.1 14.14 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 111.804 0.298 . . . . 0.0 111.804 -175.535 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.564 HG11 HD13 ' A' ' 25' ' ' ILE . 27.4 m -128.8 171.18 17.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-O 120.622 0.249 . . . . 0.0 111.21 -177.507 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.607 ' HG2' ' HG2' ' A' ' 12' ' ' LYS . 13.4 mm-40 . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.616 -179.892 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.512 ' CG1' ' HB2' ' A' ' 30' ' ' ARG . 48.7 t . . . . . 0 N--CA 1.448 -0.556 0 CA-C-O 121.461 0.648 . . . . 0.0 112.092 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 12.7 m -107.94 -177.17 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.676 0 CA-C-N 114.707 -1.133 . . . . 0.0 108.866 174.435 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 13.7 p -140.9 147.84 22.29 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.662 0 O-C-N 121.954 -0.466 . . . . 0.0 110.608 -177.798 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . 0.416 ' HB3' ' O ' ' A' ' 26' ' ' LYS . . . -89.36 145.92 25.03 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 120.887 0.375 . . . . 0.0 111.641 -178.025 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.675 ' HB2' ' HG3' ' A' ' 59' ' ' GLU . 16.7 tptm -90.03 -45.58 9.07 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.367 -178.757 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 79.3 m-85 -134.71 160.88 36.76 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.66 178.083 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 31.8 m-20 -63.09 131.3 48.09 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.733 -0.667 . . . . 0.0 111.699 179.66 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . 0.519 ' HB3' ' CG1' ' A' ' 25' ' ' ILE . 35.6 t80 -136.23 110.34 8.32 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.02 0.438 . . . . 0.0 110.107 170.835 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 39.9 t -96.17 127.96 47.8 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.772 0 N-CA-C 109.529 -0.545 . . . . 0.0 109.529 177.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . 0.578 ' HB2' ' HG3' ' A' ' 22' ' ' GLU . . . -81.61 169.5 16.97 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 109.306 -0.627 . . . . 0.0 109.306 -177.639 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 10.1 mt-30 -90.24 -33.59 16.1 Favored 'General case' 0 C--N 1.316 -0.866 0 CA-C-O 121.161 0.505 . . . . 0.0 110.544 -177.389 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . 0.633 ' HB3' ' HG2' ' A' ' 21' ' ' GLN . 6.0 tp60 -140.13 158.92 43.28 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.434 -0.803 . . . . 0.0 109.274 -178.711 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -72.48 -3.61 25.43 Favored 'General case' 0 CA--C 1.535 0.394 0 C-N-CA 120.599 -0.44 . . . . 0.0 111.383 -179.061 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.633 ' HG2' ' HB3' ' A' ' 19' ' ' GLN . 13.3 pt20 -66.75 -25.69 66.62 Favored 'General case' 0 N--CA 1.463 0.187 0 CA-C-O 121.285 0.564 . . . . 0.0 109.835 174.751 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.578 ' HG3' ' HB2' ' A' ' 17' ' ' ALA . 1.2 pt-20 -108.64 179.61 4.14 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.041 -0.981 . . . . 0.0 108.956 176.419 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.539 HD22 ' HA ' ' A' ' 50' ' ' THR . 0.6 OUTLIER -104.92 128.75 53.29 Favored 'General case' 0 C--N 1.322 -0.623 0 C-N-CA 120.339 -0.544 . . . . 0.0 109.924 -173.944 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.3 p-10 -100.37 134.09 43.83 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 109.522 -0.547 . . . . 0.0 109.522 175.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.609 HD12 HG12 ' A' ' 58' ' ' VAL . 1.0 OUTLIER -129.16 163.11 35.13 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.742 0 CA-C-O 120.954 0.406 . . . . 0.0 110.561 -175.978 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.564 ' HB3' ' HB2' ' A' ' 29' ' ' GLU . 33.8 tptt -125.84 153.68 43.76 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 108.883 -0.784 . . . . 0.0 108.883 -178.179 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 79.0 tttt -59.27 129.49 42.32 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.592 0.234 . . . . 0.0 110.554 178.796 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 7.4 t30 67.71 14.45 9.5 Favored 'General case' 0 N--CA 1.467 0.408 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.984 177.548 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.564 ' HB2' ' HB3' ' A' ' 26' ' ' LYS . 9.2 tp10 -91.55 151.61 20.66 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 109.562 -0.532 . . . . 0.0 109.562 -179.789 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.607 ' O ' HD13 ' A' ' 31' ' ' LEU . 4.4 ptp180 -87.94 141.24 28.74 Favored 'General case' 0 C--N 1.314 -0.939 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.355 -177.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.607 HD13 ' O ' ' A' ' 30' ' ' ARG . 2.5 mm? -128.82 166.12 19.66 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 109.037 -0.727 . . . . 0.0 109.037 173.613 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . 0.414 ' HE3' ' O ' ' A' ' 44' ' ' ARG . 19.2 m-90 -104.52 115.92 31.19 Favored 'General case' 0 C--N 1.315 -0.932 0 N-CA-C 109.394 -0.595 . . . . 0.0 109.394 174.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.542 ' HA ' HG12 ' A' ' 43' ' ' VAL . 36.0 tp -92.55 115.81 28.44 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 120.963 0.411 . . . . 0.0 110.788 -175.219 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.404 ' HB2' ' HD2' ' A' ' 42' ' ' ARG . 1.6 mm? -93.0 -55.1 3.47 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.628 -0.715 . . . . 0.0 110.044 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 . . . . . 0 C--N 1.328 -0.351 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.149 -179.177 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' TRP . . . . . 0.472 ' HB3' ' HB3' ' A' ' 52' ' ' PHE . 26.7 m0 . . . . . 0 N--CA 1.451 -0.392 0 N-CA-C 109.028 -0.731 . . . . 0.0 109.028 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 35.0 m0 -95.63 124.96 39.9 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 120.636 0.255 . . . . 0.0 110.521 -179.334 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.413 ' HA ' ' O ' ' A' ' 51' ' ' GLY . 16.6 ttm180 -83.08 106.91 15.27 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 109.563 -0.532 . . . . 0.0 109.563 176.794 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.542 HG12 ' HA ' ' A' ' 33' ' ' LEU . 4.4 m -128.28 160.95 37.72 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.82 0 CA-C-N 115.821 -0.627 . . . . 0.0 111.438 -177.773 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . 0.422 ' HG3' ' O ' ' A' ' 49' ' ' LYS . 44.4 ttm180 -125.12 131.2 53.31 Favored 'General case' 0 C--N 1.316 -0.891 0 CA-C-N 115.069 -0.969 . . . . 0.0 109.349 176.756 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . 0.515 ' HB2' HD12 ' A' ' 23' ' ' LEU . 19.1 t-20 -95.62 179.92 4.96 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 108.406 -0.961 . . . . 0.0 108.406 176.709 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 9.8 p -70.49 -7.62 44.93 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.069 0.461 . . . . 0.0 111.373 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' MET . . . . . 0.472 ' C ' ' H ' ' A' ' 49' ' ' LYS . 45.8 tpp -78.51 6.58 8.29 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.759 178.653 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 25.6 m-80 74.99 -20.72 0.32 Allowed 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 123.686 0.795 . . . . 0.0 111.279 177.382 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.472 ' H ' ' C ' ' A' ' 47' ' ' MET . 27.7 mmmt -72.99 162.34 29.62 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.991 -177.474 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' THR . . . . . 0.539 ' HA ' HD22 ' A' ' 23' ' ' LEU . 4.3 m -142.47 155.02 45.03 Favored 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 109.208 -0.664 . . . . 0.0 109.208 -178.329 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . 0.413 ' O ' ' HA ' ' A' ' 42' ' ' ARG . . . 179.32 -165.87 34.93 Favored Glycine 0 N--CA 1.443 -0.853 0 C-N-CA 120.77 -0.729 . . . . 0.0 111.729 179.872 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.472 ' HB3' ' HB3' ' A' ' 40' ' ' TRP . 97.3 m-85 -109.3 127.66 54.47 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 120.81 0.338 . . . . 0.0 110.201 179.894 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.425 HG13 ' HB3' ' A' ' 23' ' ' LEU . 30.1 m -113.48 155.43 44.77 Favored Pre-proline 0 C--N 1.319 -0.726 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.96 178.92 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . 0.491 ' O ' HG23 ' A' ' 58' ' ' VAL . 49.3 Cg_endo -69.16 127.82 15.64 Favored 'Trans proline' 0 C--O 1.233 0.245 0 C-N-CA 123.21 2.606 . . . . 0.0 112.76 178.715 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 45.2 t -67.33 -11.62 58.09 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.316 -179.852 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 11.2 t30 -80.08 -23.93 40.95 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.807 0.337 . . . . 0.0 111.1 178.574 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . 0.427 ' HB2' ' HG2' ' A' ' 54' ' ' PRO . 87.6 m-85 -107.33 -22.18 12.68 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 111.689 0.255 . . . . 0.0 111.689 -175.799 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.609 HG12 HD12 ' A' ' 25' ' ' ILE . 34.3 m -111.53 153.09 13.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 N-CA-C 110.309 -0.256 . . . . 0.0 110.309 177.565 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.675 ' HG3' ' HB2' ' A' ' 12' ' ' LYS . 27.7 mt-10 . . . . . 0 C--N 1.326 -0.452 0 CA-C-O 121.308 0.575 . . . . 0.0 111.169 -179.048 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 64.2 t . . . . . 0 N--CA 1.45 -0.436 0 CA-C-O 121.459 0.647 . . . . 0.0 111.639 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.477 HG11 HD22 ' A' ' 33' ' ' LEU . 12.7 m -118.0 -171.22 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.803 0 CA-C-N 114.709 -1.132 . . . . 0.0 109.227 178.211 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 13.2 p -141.26 148.54 21.21 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.687 0 O-C-N 121.928 -0.482 . . . . 0.0 110.513 179.412 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . 0.417 ' HB2' ' CD1' ' A' ' 25' ' ' ILE . . . -88.03 145.36 26.02 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.88 0.371 . . . . 0.0 111.586 -179.285 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.64 ' HB2' ' HG2' ' A' ' 59' ' ' GLU . 16.9 tptm -90.19 -47.38 7.83 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.085 -178.694 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 82.7 m-85 -138.85 157.87 45.25 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.625 178.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . 0.518 ' OD2' ' HD2' ' A' ' 26' ' ' LYS . 1.9 m-20 -51.31 129.96 25.89 Favored 'General case' 0 N--CA 1.465 0.314 0 N-CA-C 112.655 0.613 . . . . 0.0 112.655 176.541 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . 0.628 ' HB3' ' CG1' ' A' ' 25' ' ' ILE . 55.3 t80 -135.73 115.11 12.58 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.905 -0.588 . . . . 0.0 109.486 169.218 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 47.1 t -93.92 126.19 46.39 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.749 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.844 -176.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . 0.517 ' HB2' ' HB2' ' A' ' 22' ' ' GLU . . . -84.23 150.93 25.13 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 108.512 -0.922 . . . . 0.0 108.512 174.137 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -90.04 -31.11 17.32 Favored 'General case' 0 C--N 1.319 -0.718 0 C-N-CA 120.525 -0.47 . . . . 0.0 110.433 -178.563 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . 0.458 ' HB2' ' HG2' ' A' ' 21' ' ' GLN . 0.0 OUTLIER -135.37 165.12 26.19 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.437 177.376 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.424 ' HB3' ' HD2' ' A' ' 49' ' ' LYS . 59.3 mt-10 -71.89 -3.25 21.35 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.514 178.735 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.458 ' HG2' ' HB2' ' A' ' 19' ' ' GLN . 11.2 pt20 -77.79 -11.7 59.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.788 0.804 . . . . 0.0 109.316 174.68 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.517 ' HB2' ' HB2' ' A' ' 17' ' ' ALA . 26.9 mt-10 -115.47 175.93 5.3 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 114.671 -1.15 . . . . 0.0 108.502 -179.436 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.924 ' HG ' HG22 ' A' ' 43' ' ' VAL . 0.6 OUTLIER -105.48 128.15 53.39 Favored 'General case' 0 C--N 1.319 -0.726 0 C-N-CA 120.25 -0.58 . . . . 0.0 109.897 -178.151 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -98.92 128.71 45.16 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 109.572 -0.529 . . . . 0.0 109.572 178.551 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.628 ' CG1' ' HB3' ' A' ' 15' ' ' TYR . 1.0 OUTLIER -131.57 151.09 34.88 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-O 121.523 0.678 . . . . 0.0 111.266 -178.411 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.558 ' HB3' ' HB2' ' A' ' 29' ' ' GLU . 49.4 tptt -117.02 149.84 39.61 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 115.311 -0.859 . . . . 0.0 108.718 -179.275 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 86.8 tttt -55.48 125.43 20.93 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 110.011 -0.366 . . . . 0.0 110.011 175.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 10.0 t30 75.19 12.9 3.27 Favored 'General case' 0 N--CA 1.473 0.691 0 O-C-N 124.03 0.831 . . . . 0.0 111.482 178.438 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.558 ' HB2' ' HB3' ' A' ' 26' ' ' LYS . 12.4 tp10 -89.68 144.12 26.25 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 109.568 -0.53 . . . . 0.0 109.568 -179.36 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.848 HH11 ' HG2' ' A' ' 30' ' ' ARG . 0.0 OUTLIER -87.59 138.87 31.09 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 109.509 -0.552 . . . . 0.0 109.509 179.72 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.475 HD11 ' O ' ' A' ' 30' ' ' ARG . 2.3 mm? -122.5 166.95 13.96 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 109.079 -0.711 . . . . 0.0 109.079 175.326 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . 0.427 ' HB2' ' HB3' ' A' ' 44' ' ' ARG . 11.7 m-90 -102.65 126.06 49.61 Favored 'General case' 0 C--N 1.316 -0.881 0 N-CA-C 109.127 -0.694 . . . . 0.0 109.127 175.352 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.55 ' HA ' HG13 ' A' ' 43' ' ' VAL . 46.7 tp -100.51 125.67 46.87 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-O 120.933 0.397 . . . . 0.0 112.037 -171.826 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -106.7 -36.01 6.84 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.728 178.8 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 14.7 t70 . . . . . 0 C--N 1.328 -0.34 0 CA-C-O 120.622 0.249 . . . . 0.0 110.843 176.606 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 108.455 -0.943 . . . . 0.0 108.455 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' TRP . . . . . 0.496 ' O ' ' HA ' ' A' ' 52' ' ' PHE . 52.4 m0 -82.97 141.74 31.9 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 112.077 0.399 . . . . 0.0 112.077 -170.863 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 37.0 ttm-85 -91.16 115.69 28.22 Favored 'General case' 0 C--O 1.238 0.477 0 CA-C-N 116.226 -0.443 . . . . 0.0 109.9 174.622 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.924 HG22 ' HG ' ' A' ' 23' ' ' LEU . 5.7 m -133.26 166.76 28.31 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.745 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.392 -179.301 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . 0.427 ' HB3' ' HB2' ' A' ' 32' ' ' TRP . 59.4 ttp180 -124.78 125.76 44.54 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.132 -0.94 . . . . 0.0 109.246 176.806 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . 0.472 ' H ' HD23 ' A' ' 23' ' ' LEU . 53.6 t30 -84.6 170.87 12.94 Favored 'General case' 0 C--N 1.318 -0.779 0 N-CA-C 110.102 -0.333 . . . . 0.0 110.102 -179.181 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 20.2 t -67.18 -20.39 65.72 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.106 0.479 . . . . 0.0 110.29 -178.537 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' MET . . . . . 0.824 ' HA ' ' HE2' ' A' ' 47' ' ' MET . 3.0 tpt -80.29 6.7 11.27 Favored 'General case' 0 CA--C 1.532 0.255 0 CA-C-O 121.113 0.482 . . . . 0.0 110.084 177.394 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 29.9 m-80 69.59 12.47 8.15 Favored 'General case' 0 N--CA 1.468 0.469 0 CA-C-N 115.645 -0.707 . . . . 0.0 111.628 174.277 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.424 ' HD2' ' HB3' ' A' ' 20' ' ' GLU . 71.7 mmtt -82.38 156.03 24.4 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 108.774 -0.825 . . . . 0.0 108.774 175.087 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' THR . . . . . 0.401 ' HA ' HD21 ' A' ' 23' ' ' LEU . 1.9 m -131.44 152.19 50.89 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 120.866 0.365 . . . . 0.0 110.745 179.124 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 172.39 -161.01 32.54 Favored Glycine 0 N--CA 1.446 -0.674 0 N-CA-C 111.33 -0.708 . . . . 0.0 111.33 -179.715 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.496 ' HA ' ' O ' ' A' ' 41' ' ' TRP . 93.8 m-85 -118.63 147.84 43.33 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 109.733 -0.469 . . . . 0.0 109.733 179.757 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.574 HG22 HG21 ' A' ' 58' ' ' VAL . 13.9 m -130.55 150.72 77.11 Favored Pre-proline 0 C--N 1.321 -0.666 0 CA-C-N 116.129 -0.487 . . . . 0.0 112.221 -176.772 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . 0.567 ' HG2' ' HB2' ' A' ' 57' ' ' TYR . 30.3 Cg_endo -63.97 122.23 10.19 Favored 'Trans proline' 0 C--N 1.345 0.371 0 C-N-CA 123.515 2.81 . . . . 0.0 112.468 177.788 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 46.7 t -63.77 -12.86 39.01 Favored 'General case' 0 CA--C 1.534 0.36 0 CA-C-N 116.113 -0.494 . . . . 0.0 112.262 -175.69 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -88.72 -21.97 23.59 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 122.22 -0.3 . . . . 0.0 111.522 179.022 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . 0.567 ' HB2' ' HG2' ' A' ' 54' ' ' PRO . 83.9 m-85 -102.38 -16.65 16.16 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.812 0.339 . . . . 0.0 111.046 -177.496 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.574 HG21 HG22 ' A' ' 53' ' ' VAL . 35.4 m -116.27 151.11 18.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-O 120.936 0.398 . . . . 0.0 110.548 177.785 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.64 ' HG2' ' HB2' ' A' ' 12' ' ' LYS . 5.8 mm-40 . . . . . 0 C--N 1.322 -0.59 0 CA-C-N 115.716 -0.675 . . . . 0.0 109.619 -177.606 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 54.6 t . . . . . 0 CA--C 1.517 -0.306 0 CA-C-O 121.705 0.764 . . . . 0.0 111.409 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.556 ' HB ' ' O ' ' A' ' 59' ' ' GLU . 17.3 m -111.54 177.95 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.316 -0.869 0 CA-C-N 114.565 -1.198 . . . . 0.0 109.418 178.796 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . 0.434 ' HA ' ' HA ' ' A' ' 30' ' ' ARG . 9.6 p -140.95 138.96 34.38 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.791 0 CA-C-O 121.1 0.476 . . . . 0.0 110.382 179.846 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . 0.476 ' HA ' ' HA ' ' A' ' 58' ' ' VAL . . . -87.67 142.81 27.55 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.787 -178.551 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.485 ' O ' ' HG3' ' A' ' 27' ' ' LYS . 0.1 OUTLIER -89.08 -40.47 12.92 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.647 -179.481 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 66.4 m-85 -129.73 152.97 48.65 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.053 0.454 . . . . 0.0 111.655 -179.507 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . 0.425 ' OD1' ' HG3' ' A' ' 26' ' ' LYS . 12.6 m-20 -59.65 133.33 56.0 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.26 -0.882 . . . . 0.0 111.781 179.237 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . 0.596 ' HB3' ' CG1' ' A' ' 25' ' ' ILE . 42.7 t80 -135.76 111.77 9.58 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 109.655 -0.498 . . . . 0.0 109.655 172.106 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 57.3 t -82.02 133.01 30.11 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.378 -179.202 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . 0.522 ' HB3' ' HB2' ' A' ' 22' ' ' GLU . . . -84.18 130.6 34.83 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 109.172 -0.677 . . . . 0.0 109.172 178.227 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 9.7 mt-30 -65.93 -44.98 83.51 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-O 120.883 0.373 . . . . 0.0 110.881 -177.896 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . 0.632 ' HB2' ' HG2' ' A' ' 21' ' ' GLN . 27.3 mm-40 -140.57 173.54 11.4 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 177.809 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -71.52 -3.17 19.77 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.784 0.326 . . . . 0.0 111.064 -179.808 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.632 ' HG2' ' HB2' ' A' ' 19' ' ' GLN . 13.0 pt20 -71.94 -24.84 61.68 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 121.484 0.659 . . . . 0.0 109.639 171.237 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.522 ' HB2' ' HB3' ' A' ' 17' ' ' ALA . 3.4 mm-40 -98.4 177.28 5.4 Favored 'General case' 0 N--CA 1.448 -0.565 0 CA-C-N 114.947 -1.024 . . . . 0.0 108.839 -178.051 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.789 ' HG ' HG22 ' A' ' 43' ' ' VAL . 1.3 tm? -108.55 128.54 54.91 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 108.501 -0.926 . . . . 0.0 108.501 175.671 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 3.5 p-10 -94.55 128.99 41.52 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.197 0.522 . . . . 0.0 110.13 -179.532 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.596 ' CG1' ' HB3' ' A' ' 15' ' ' TYR . 1.0 OUTLIER -132.66 171.99 17.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.482 -179.484 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.576 ' HB2' ' HZ2' ' A' ' 26' ' ' LYS . 0.0 OUTLIER -140.39 165.56 27.1 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 109.559 -0.534 . . . . 0.0 109.559 -175.606 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.485 ' HG3' ' O ' ' A' ' 12' ' ' LYS . 84.4 tttt -65.49 126.43 28.26 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 109.489 -0.56 . . . . 0.0 109.489 173.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 68.05 27.07 7.1 Favored 'General case' 0 N--CA 1.468 0.442 0 CA-C-O 121.358 0.599 . . . . 0.0 109.921 -179.582 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.522 ' HB2' ' HB3' ' A' ' 26' ' ' LYS . 4.8 tp10 -96.82 131.23 43.76 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 109.08 -0.711 . . . . 0.0 109.08 177.367 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.562 ' O ' HD12 ' A' ' 31' ' ' LEU . 15.4 ptt180 -92.14 130.66 37.81 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 120.976 0.417 . . . . 0.0 110.269 179.594 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.562 HD12 ' O ' ' A' ' 30' ' ' ARG . 1.3 mm? -122.14 165.75 15.63 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 116.011 -0.541 . . . . 0.0 109.705 -177.558 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 19.9 m-90 -99.66 121.2 40.88 Favored 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 109.871 -0.418 . . . . 0.0 109.871 178.483 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.567 ' HA ' HG12 ' A' ' 43' ' ' VAL . 44.8 tp -98.47 125.5 43.69 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.175 0.512 . . . . 0.0 111.502 -174.275 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -103.32 -52.69 2.96 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.219 179.498 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . 0.478 ' OD2' ' HD3' ' A' ' 42' ' ' ARG . 26.5 m-20 . . . . . 0 C--N 1.331 -0.198 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.804 -178.575 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' TRP . . . . . 0.417 ' CB ' ' HB3' ' A' ' 52' ' ' PHE . 11.0 m0 . . . . . 0 C--O 1.232 0.165 0 N-CA-C 109.89 -0.411 . . . . 0.0 109.89 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 45.4 m0 -74.69 139.55 43.57 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 121.295 0.569 . . . . 0.0 111.085 -175.003 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.478 ' HD3' ' OD2' ' A' ' 35' ' ' ASP . 33.3 ttt180 -97.86 108.31 20.99 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.308 -0.86 . . . . 0.0 109.93 -175.637 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.789 HG22 ' HG ' ' A' ' 23' ' ' LEU . 5.0 m -132.91 164.43 35.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-O 121.449 0.642 . . . . 0.0 112.441 -174.078 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . 0.557 ' HG2' ' O ' ' A' ' 49' ' ' LYS . 0.3 OUTLIER -131.8 127.53 36.85 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 107.821 -1.177 . . . . 0.0 107.821 175.206 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . 0.681 ' HB3' HD13 ' A' ' 23' ' ' LEU . 39.7 p-10 -103.39 -175.62 2.85 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 121.082 0.468 . . . . 0.0 111.88 -170.326 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 5.4 p -71.41 -15.08 62.34 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-N 115.831 -0.622 . . . . 0.0 111.882 -178.167 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' MET . . . . . 0.408 ' HG3' ' HG2' ' A' ' 49' ' ' LYS . 16.9 tpt -78.56 -1.85 35.98 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.196 0.522 . . . . 0.0 109.803 176.525 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 25.6 m-80 70.08 21.17 6.17 Favored 'General case' 0 N--CA 1.463 0.18 0 CA-C-N 115.272 -0.876 . . . . 0.0 110.726 176.218 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.557 ' O ' ' HG2' ' A' ' 44' ' ' ARG . 75.3 mmtt -102.1 167.36 10.07 Favored 'General case' 0 N--CA 1.449 -0.504 0 N-CA-C 109.569 -0.53 . . . . 0.0 109.569 177.631 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' THR . . . . . 0.459 ' HA ' HD23 ' A' ' 23' ' ' LEU . 2.7 m -139.73 149.41 43.59 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 120.869 0.366 . . . . 0.0 110.74 178.051 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 175.68 -160.47 28.79 Favored Glycine 0 N--CA 1.446 -0.643 0 CA-C-N 115.636 -0.711 . . . . 0.0 111.342 -178.192 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.417 ' HB3' ' CB ' ' A' ' 40' ' ' TRP . 95.9 m-85 -114.75 142.26 46.76 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.797 0.332 . . . . 0.0 110.146 -179.413 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.509 HG12 ' HB3' ' A' ' 23' ' ' LEU . 15.7 m -125.71 150.24 67.85 Favored Pre-proline 0 C--N 1.321 -0.666 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.726 -178.739 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . 0.544 ' O ' HG23 ' A' ' 58' ' ' VAL . 54.5 Cg_endo -70.11 128.28 15.49 Favored 'Trans proline' 0 CA--C 1.53 0.288 0 C-N-CA 123.098 2.532 . . . . 0.0 112.598 177.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 12.6 p -68.07 -10.98 58.11 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.919 -0.582 . . . . 0.0 112.034 -176.687 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 95.1 m-20 -84.97 -19.03 32.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.734 0.302 . . . . 0.0 111.308 179.396 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . 0.436 ' HB2' ' HG2' ' A' ' 54' ' ' PRO . 50.8 m-85 -108.37 -27.67 9.84 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.527 -0.306 . . . . 0.0 110.61 -177.916 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.593 HG12 HD12 ' A' ' 25' ' ' ILE . 28.9 m -109.45 149.27 12.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 N-CA-C 109.794 -0.447 . . . . 0.0 109.794 176.753 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.556 ' O ' ' HB ' ' A' ' 9' ' ' VAL . 38.2 mt-10 . . . . . 0 C--N 1.32 -0.675 0 CA-C-O 121.015 0.436 . . . . 0.0 111.025 -178.769 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 81.1 t . . . . . 0 N--CA 1.45 -0.437 0 CA-C-O 121.778 0.799 . . . . 0.0 112.109 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.509 ' HB ' ' O ' ' A' ' 59' ' ' GLU . 5.8 m -116.39 178.04 1.97 Allowed 'Isoleucine or valine' 0 C--N 1.313 -1.017 0 CA-C-N 114.199 -1.364 . . . . 0.0 109.312 177.199 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 14.8 p -136.48 147.74 27.51 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.735 0 C-N-CA 120.72 -0.392 . . . . 0.0 110.312 -179.645 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -83.92 144.35 29.25 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 121.081 0.467 . . . . 0.0 111.919 -178.13 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 2.7 ttmm -88.85 -46.84 8.63 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.513 -0.767 . . . . 0.0 110.537 178.493 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.421 ' HB2' ' HD2' ' A' ' 57' ' ' TYR . 39.3 m-85 -138.27 157.08 46.98 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 109.484 -0.561 . . . . 0.0 109.484 174.76 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . 0.638 ' HB3' ' HD2' ' A' ' 26' ' ' LYS . 0.4 OUTLIER -69.02 138.53 54.56 Favored 'General case' 0 N--CA 1.446 -0.648 0 CA-C-O 121.85 0.834 . . . . 0.0 112.725 -177.368 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 9.7 t80 -137.11 111.31 8.42 Favored 'General case' 0 C--N 1.316 -0.863 0 CA-C-N 114.293 -1.321 . . . . 0.0 109.343 174.368 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 58.5 t -94.18 118.31 39.85 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.704 0 CA-C-O 121.096 0.474 . . . . 0.0 110.648 179.114 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -85.25 116.84 23.83 Favored 'General case' 0 N--CA 1.443 -0.781 0 N-CA-C 108.77 -0.826 . . . . 0.0 108.77 175.28 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 6.3 mt-30 -62.71 -30.93 71.78 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.444 0.64 . . . . 0.0 110.227 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . 0.439 ' HB3' ' HG2' ' A' ' 21' ' ' GLN . 7.3 mm100 -102.09 120.31 40.23 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.151 -0.931 . . . . 0.0 109.462 179.772 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 34.7 mt-10 -71.4 -7.58 48.21 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-O 120.742 0.306 . . . . 0.0 111.502 -177.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.439 ' HG2' ' HB3' ' A' ' 19' ' ' GLN . 4.1 pt20 -66.56 -20.27 65.98 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.188 0.518 . . . . 0.0 109.816 171.28 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 72.8 mm-40 -104.24 -177.13 3.28 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.183 -0.917 . . . . 0.0 109.172 175.249 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.707 HD23 ' H ' ' A' ' 45' ' ' ASN . 0.6 OUTLIER -104.17 127.39 51.78 Favored 'General case' 0 N--CA 1.444 -0.758 0 C-N-CA 120.027 -0.669 . . . . 0.0 110.407 -174.892 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -99.59 130.16 45.8 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.78 -0.646 . . . . 0.0 109.759 175.43 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.585 HD11 HG11 ' A' ' 58' ' ' VAL . 1.3 pt -127.37 159.71 37.4 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-O 121.048 0.452 . . . . 0.0 110.625 -177.747 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.638 ' HD2' ' HB3' ' A' ' 14' ' ' ASP . 25.3 tptp -126.22 152.64 45.79 Favored 'General case' 0 C--N 1.316 -0.858 0 N-CA-C 109.129 -0.693 . . . . 0.0 109.129 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.439 ' H ' ' HB3' ' A' ' 14' ' ' ASP . 78.7 tttt -56.16 127.43 30.66 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 110.274 -0.269 . . . . 0.0 110.274 177.918 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 69.57 23.29 5.97 Favored 'General case' 0 CA--C 1.535 0.375 0 O-C-N 123.954 0.784 . . . . 0.0 110.934 178.664 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 11.2 tp10 -99.23 147.1 25.49 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 109.252 -0.647 . . . . 0.0 109.252 176.853 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.586 ' O ' HD13 ' A' ' 31' ' ' LEU . 2.0 ptm180 -95.0 135.82 36.06 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-O 120.693 0.282 . . . . 0.0 110.281 -177.882 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.586 HD13 ' O ' ' A' ' 30' ' ' ARG . 1.6 mm? -123.97 167.97 13.44 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 109.337 -0.616 . . . . 0.0 109.337 179.229 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . 0.541 ' HB2' ' HB3' ' A' ' 44' ' ' ARG . 28.7 m-90 -105.4 125.01 50.5 Favored 'General case' 0 C--N 1.317 -0.841 0 N-CA-C 109.374 -0.602 . . . . 0.0 109.374 174.612 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.576 ' HA ' HG12 ' A' ' 43' ' ' VAL . 41.1 tp -97.18 116.39 29.29 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 121.02 0.438 . . . . 0.0 111.33 -173.554 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -102.34 -33.64 9.5 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.064 -178.287 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . 0.519 ' HB3' ' HB3' ' A' ' 42' ' ' ARG . 31.1 t70 . . . . . 0 C--N 1.327 -0.394 0 CA-C-N 116.409 -0.36 . . . . 0.0 111.258 -174.282 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' TRP . . . . . 0.446 ' HA ' ' O ' ' A' ' 53' ' ' VAL . 76.5 m95 . . . . . 0 N--CA 1.468 0.436 0 CA-C-O 121.638 0.732 . . . . 0.0 110.876 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 48.3 m0 -98.2 155.9 16.95 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.156 -176.375 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.519 ' HB3' ' HB3' ' A' ' 35' ' ' ASP . 33.5 ttt180 -103.16 112.92 26.01 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 109.701 -0.481 . . . . 0.0 109.701 179.579 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.581 HG23 ' HG ' ' A' ' 23' ' ' LEU . 10.9 m -128.27 164.93 28.79 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-O 121.61 0.719 . . . . 0.0 112.231 -173.627 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . 0.541 ' HB3' ' HB2' ' A' ' 32' ' ' TRP . 23.5 ttm180 -114.79 128.78 56.5 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 114.692 -1.14 . . . . 0.0 108.807 174.799 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . 0.707 ' H ' HD23 ' A' ' 23' ' ' LEU . 50.6 t30 -90.89 169.66 10.73 Favored 'General case' 0 C--N 1.317 -0.845 0 N-CA-C 109.384 -0.598 . . . . 0.0 109.384 176.261 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 4.7 p -68.8 -7.71 36.69 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.61 -176.448 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 44.6 tpp -91.75 14.53 15.08 Favored 'General case' 0 CA--C 1.536 0.413 0 CA-C-O 121.197 0.522 . . . . 0.0 109.871 176.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 47.3 m-80 69.47 14.42 8.37 Favored 'General case' 0 N--CA 1.47 0.563 0 CA-C-N 115.42 -0.809 . . . . 0.0 112.674 169.676 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 47.4 mtmt -97.33 164.32 12.52 Favored 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 109.736 -0.468 . . . . 0.0 109.736 176.049 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 4.1 m -137.14 153.58 50.46 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 110.182 -0.303 . . . . 0.0 110.182 178.277 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 173.7 -172.44 45.25 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 121.224 -0.512 . . . . 0.0 112.044 -179.121 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 65.7 m-85 -100.02 139.73 35.26 Favored 'General case' 0 CA--C 1.516 -0.349 0 CA-C-O 121.191 0.52 . . . . 0.0 110.305 179.421 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.459 HG23 HG12 ' A' ' 58' ' ' VAL . 22.6 m -125.41 148.72 62.2 Favored Pre-proline 0 C--N 1.318 -0.801 0 CA-C-N 115.392 -0.822 . . . . 0.0 111.192 179.579 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . 0.415 ' O ' HG21 ' A' ' 58' ' ' VAL . 30.1 Cg_endo -62.65 118.76 5.65 Favored 'Trans proline' 0 N--CA 1.464 -0.257 0 C-N-CA 123.066 2.511 . . . . 0.0 111.968 178.509 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 1.9 p -65.65 -11.13 42.1 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.641 -178.614 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 14.6 m120 -76.12 -23.2 54.88 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.87 176.661 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . 0.421 ' HD2' ' HB2' ' A' ' 13' ' ' PHE . 90.1 m-85 -115.08 -10.23 12.23 Favored 'General case' 0 N--CA 1.452 -0.358 0 CA-C-N 116.356 -0.383 . . . . 0.0 111.776 -172.917 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.585 HG11 HD11 ' A' ' 25' ' ' ILE . 32.8 m -115.14 154.98 16.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-O 120.703 0.287 . . . . 0.0 110.801 -179.744 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.509 ' O ' ' HB ' ' A' ' 9' ' ' VAL . 8.6 mm-40 . . . . . 0 C--N 1.325 -0.472 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.929 -175.137 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 40.8 t . . . . . 0 N--CA 1.449 -0.507 0 CA-C-O 121.339 0.59 . . . . 0.0 112.152 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.643 ' HB ' ' O ' ' A' ' 59' ' ' GLU . 17.0 m -105.02 -174.93 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.706 0 CA-C-N 114.856 -1.066 . . . . 0.0 109.043 176.553 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 14.4 p -139.97 148.77 22.49 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 O-C-N 121.874 -0.516 . . . . 0.0 110.423 -178.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . 0.556 ' HA ' ' HA ' ' A' ' 58' ' ' VAL . . . -94.56 145.69 24.64 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 121.257 0.551 . . . . 0.0 111.618 -178.199 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 4.6 tppp? -89.9 -48.99 6.87 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.527 -0.76 . . . . 0.0 110.461 -179.627 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 49.7 m-85 -129.48 155.64 45.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.112 0.482 . . . . 0.0 111.393 -176.746 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . 0.465 ' OD1' ' HG3' ' A' ' 26' ' ' LYS . 11.5 m-20 -61.64 133.57 55.77 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 114.924 -1.035 . . . . 0.0 111.268 178.531 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . 0.534 ' HB3' HG13 ' A' ' 25' ' ' ILE . 24.9 t80 -135.93 112.7 10.18 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.396 0.617 . . . . 0.0 110.482 175.074 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 48.0 t -84.86 129.14 38.21 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.155 178.888 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . 0.524 ' HB2' ' HB2' ' A' ' 22' ' ' GLU . . . -91.3 177.91 6.11 Favored 'General case' 0 N--CA 1.449 -0.5 0 CA-C-N 116.196 -0.456 . . . . 0.0 109.839 -178.545 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 30.9 mt-30 -90.35 -58.52 2.47 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.08 0.467 . . . . 0.0 110.85 179.204 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 3.5 mm-40 -143.52 -174.75 4.32 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.192 -179.335 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 31.7 tt0 -65.12 -13.54 58.34 Favored 'General case' 0 CA--C 1.535 0.379 0 CA-C-O 121.425 0.631 . . . . 0.0 110.626 178.328 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.466 ' HG3' ' HG2' ' A' ' 22' ' ' GLU . 13.8 pt20 -68.19 -21.3 64.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.467 0.651 . . . . 0.0 110.072 174.173 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.524 ' HB2' ' HB2' ' A' ' 17' ' ' ALA . 6.4 mm-40 -108.94 -179.2 3.79 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.269 -0.878 . . . . 0.0 108.963 -179.23 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.805 HD11 ' HB3' ' A' ' 45' ' ' ASN . 0.9 OUTLIER -113.6 129.3 56.59 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 109.272 -0.64 . . . . 0.0 109.272 175.134 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 8.1 p-10 -101.21 130.92 47.41 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 120.974 0.416 . . . . 0.0 110.407 177.881 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.574 HD12 HG13 ' A' ' 58' ' ' VAL . 1.0 OUTLIER -131.71 165.69 31.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.217 -178.673 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.465 ' HG3' ' OD1' ' A' ' 14' ' ' ASP . 7.2 tptm -135.69 164.85 26.94 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 110.101 -0.333 . . . . 0.0 110.101 -177.703 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 79.7 tttt -60.67 125.99 25.77 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.636 0.255 . . . . 0.0 110.462 177.723 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 66.73 25.91 9.65 Favored 'General case' 0 N--CA 1.469 0.487 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.721 178.408 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 10.6 tp10 -94.31 145.96 24.37 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 109.076 -0.713 . . . . 0.0 109.076 176.18 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.647 ' O ' HD13 ' A' ' 31' ' ' LEU . 9.8 ptp180 -94.69 139.33 31.38 Favored 'General case' 0 C--N 1.32 -0.71 0 N-CA-C 109.376 -0.601 . . . . 0.0 109.376 -179.867 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.647 HD13 ' O ' ' A' ' 30' ' ' ARG . 2.0 mm? -127.85 163.82 23.57 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.884 0.374 . . . . 0.0 110.277 178.485 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . 0.571 ' HB2' ' HB3' ' A' ' 44' ' ' ARG . 6.8 m-90 -98.09 117.71 33.07 Favored 'General case' 0 C--N 1.317 -0.838 0 N-CA-C 109.341 -0.614 . . . . 0.0 109.341 176.297 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.516 ' HA ' HG13 ' A' ' 43' ' ' VAL . 25.5 tp -96.83 113.47 25.02 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.07 0.462 . . . . 0.0 111.049 -177.119 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -98.75 -58.58 1.92 Allowed 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.271 -179.397 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . 0.603 ' HB2' ' HB3' ' A' ' 42' ' ' ARG . 3.0 m-20 . . . . . 0 C--N 1.328 -0.36 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.611 -177.483 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 4.6 m-90 . . . . . 0 C--O 1.234 0.274 0 CA-C-O 120.98 0.419 . . . . 0.0 110.921 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' TRP . . . . . 0.538 ' CE3' HG23 ' A' ' 58' ' ' VAL . 9.5 m0 -121.43 130.08 53.37 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.609 174.539 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.603 ' HB3' ' HB2' ' A' ' 35' ' ' ASP . 39.5 ttt180 -87.75 104.64 16.75 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.569 -0.742 . . . . 0.0 109.144 179.467 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.554 HG22 ' HG ' ' A' ' 23' ' ' LEU . 7.7 m -129.23 157.36 42.05 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 CA-C-N 115.788 -0.642 . . . . 0.0 112.288 -173.138 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . 0.571 ' HB3' ' HB2' ' A' ' 32' ' ' TRP . 44.0 ttt180 -111.58 132.08 54.8 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 114.786 -1.097 . . . . 0.0 108.862 172.78 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . 0.805 ' HB3' HD11 ' A' ' 23' ' ' LEU . 40.0 p-10 -98.78 -174.57 2.82 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 120.969 0.414 . . . . 0.0 111.69 -175.83 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 21.7 m -65.84 -19.73 65.99 Favored 'General case' 0 CA--C 1.531 0.217 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.526 -179.261 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' MET . . . . . 0.785 ' HA ' ' HE1' ' A' ' 47' ' ' MET . 3.5 tpt -84.12 4.97 27.97 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-O 121.23 0.538 . . . . 0.0 109.801 176.363 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . 0.539 ' HA ' ' HE ' ' A' ' 44' ' ' ARG . 23.2 m-80 65.57 16.95 10.75 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-N 115.331 -0.849 . . . . 0.0 111.118 175.29 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.527 ' O ' ' HA ' ' A' ' 44' ' ' ARG . 46.2 mmtm -93.51 168.92 10.73 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 109.093 -0.706 . . . . 0.0 109.093 177.546 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' THR . . . . . 0.413 ' CA ' HD23 ' A' ' 23' ' ' LEU . 7.2 m -139.39 150.8 45.72 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 121.101 0.477 . . . . 0.0 111.014 -178.642 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 179.61 -166.52 35.85 Favored Glycine 0 N--CA 1.444 -0.767 0 CA-C-N 115.103 -0.953 . . . . 0.0 111.101 -178.302 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 91.9 m-85 -110.3 127.51 55.06 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 120.982 0.42 . . . . 0.0 111.09 -179.387 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.5 HG12 ' HB3' ' A' ' 23' ' ' LEU . 28.6 m -118.25 160.19 40.4 Favored Pre-proline 0 C--N 1.324 -0.502 0 CA-C-N 115.546 -0.752 . . . . 0.0 111.231 179.646 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . 0.635 ' HG2' ' HB2' ' A' ' 57' ' ' TYR . 41.4 Cg_endo -68.26 126.01 13.73 Favored 'Trans proline' 0 C--N 1.344 0.305 0 C-N-CA 122.85 2.367 . . . . 0.0 112.129 176.499 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 20.2 m -66.74 -9.29 35.05 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.882 -0.599 . . . . 0.0 112.047 -177.051 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 94.1 m-20 -90.0 -25.63 20.76 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.832 0.349 . . . . 0.0 111.34 178.726 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . 0.635 ' HB2' ' HG2' ' A' ' 54' ' ' PRO . 37.1 m-85 -94.59 -22.4 18.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.563 -0.289 . . . . 0.0 110.742 -177.539 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.574 HG13 HD12 ' A' ' 25' ' ' ILE . 33.4 m -116.73 148.23 19.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 N-CA-C 109.241 -0.652 . . . . 0.0 109.241 173.569 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.643 ' O ' ' HB ' ' A' ' 9' ' ' VAL . 49.2 mt-10 . . . . . 0 C--N 1.326 -0.423 0 CA-C-O 121.119 0.485 . . . . 0.0 111.76 -175.673 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 55.7 t . . . . . 0 N--CA 1.452 -0.336 0 CA-C-O 121.273 0.559 . . . . 0.0 111.218 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.441 HG21 ' HB2' ' A' ' 31' ' ' LEU . 7.4 m -116.31 -177.52 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.317 -0.835 0 CA-C-N 115.166 -0.924 . . . . 0.0 109.709 177.904 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 14.5 p -140.56 151.12 20.77 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 CA-C-O 120.843 0.354 . . . . 0.0 110.409 -177.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -92.81 141.62 28.24 Favored 'General case' 0 C--N 1.319 -0.731 0 N-CA-C 112.18 0.437 . . . . 0.0 112.18 -178.58 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.475 ' HB2' ' CG ' ' A' ' 59' ' ' GLU . 33.0 ttmt -79.19 -52.72 7.78 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.015 177.262 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 58.5 m-85 -133.31 163.95 28.18 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.432 -0.804 . . . . 0.0 109.67 177.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . 0.6 ' HB3' ' HD2' ' A' ' 26' ' ' LYS . 0.6 OUTLIER -68.79 141.93 55.05 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.564 0.697 . . . . 0.0 112.265 179.461 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . 0.583 ' HB3' ' CG1' ' A' ' 25' ' ' ILE . 11.9 t80 -137.43 111.36 8.29 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 114.634 -1.166 . . . . 0.0 109.82 176.258 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 43.8 t -86.49 133.79 28.96 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.814 0 CA-C-N 116.052 -0.522 . . . . 0.0 109.803 177.668 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -92.36 157.97 16.34 Favored 'General case' 0 N--CA 1.443 -0.782 0 N-CA-C 109.405 -0.591 . . . . 0.0 109.405 -175.794 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -63.18 -53.78 47.89 Favored 'General case' 0 C--N 1.316 -0.887 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.501 -178.393 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 48.6 mm-40 -147.44 -176.25 5.16 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.225 177.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.687 ' HG2' ' HD3' ' A' ' 49' ' ' LYS . 2.6 tm-20 -63.74 -16.62 61.6 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 123.163 0.585 . . . . 0.0 111.413 -177.2 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.538 ' HG3' ' HG2' ' A' ' 22' ' ' GLU . 14.4 pt20 -59.19 -30.08 67.94 Favored 'General case' 0 CA--C 1.536 0.416 0 CA-C-N 115.917 -0.583 . . . . 0.0 112.13 175.581 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.538 ' HG2' ' HG3' ' A' ' 21' ' ' GLN . 62.1 mm-40 -110.63 -177.1 3.14 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.535 -0.302 . . . . 0.0 110.432 -176.428 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.789 ' HG ' HG23 ' A' ' 43' ' ' VAL . 0.6 OUTLIER -103.7 128.29 51.07 Favored 'General case' 0 N--CA 1.451 -0.41 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 -177.187 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 7.8 p-10 -101.4 133.61 45.76 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 109.398 -0.593 . . . . 0.0 109.398 176.68 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.583 ' CG1' ' HB3' ' A' ' 15' ' ' TYR . 1.1 pt -130.9 158.24 43.22 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.679 0 C-N-CA 120.612 -0.435 . . . . 0.0 110.745 -177.48 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.6 ' HD2' ' HB3' ' A' ' 14' ' ' ASP . 59.5 tptt -125.18 152.75 44.09 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 109.106 -0.701 . . . . 0.0 109.106 -177.267 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.447 ' HG3' ' O ' ' A' ' 12' ' ' LYS . 60.3 tttm -57.29 130.46 46.31 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 110.329 -0.249 . . . . 0.0 110.329 178.422 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 17.3 t30 70.4 17.01 7.03 Favored 'General case' 0 CA--C 1.537 0.464 0 O-C-N 123.858 0.724 . . . . 0.0 110.761 177.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -96.96 149.36 21.98 Favored 'General case' 0 C--N 1.328 -0.365 0 O-C-N 121.609 -0.682 . . . . 0.0 110.228 179.561 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.646 ' O ' HD13 ' A' ' 31' ' ' LEU . 6.4 ptp180 -90.38 143.18 27.0 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.215 -177.038 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.646 HD13 ' O ' ' A' ' 30' ' ' ARG . 2.5 mm? -129.71 166.32 20.07 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 109.869 -0.419 . . . . 0.0 109.869 174.549 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 15.4 m-90 -104.77 121.44 43.63 Favored 'General case' 0 C--N 1.316 -0.864 0 N-CA-C 109.204 -0.665 . . . . 0.0 109.204 174.099 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.541 ' HA ' HG13 ' A' ' 43' ' ' VAL . 35.5 tp -96.62 118.11 32.4 Favored 'General case' 0 C--N 1.316 -0.853 0 CA-C-O 120.962 0.411 . . . . 0.0 110.998 -174.359 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -98.44 -46.91 5.59 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.925 -178.407 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 37.7 t70 . . . . . 0 C--N 1.326 -0.428 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.922 -177.559 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' TRP . . . . . 0.435 ' HA ' ' O ' ' A' ' 53' ' ' VAL . 98.3 m95 . . . . . 0 N--CA 1.463 0.212 0 CA-C-O 121.383 0.611 . . . . 0.0 111.264 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' TRP . . . . . 0.466 ' O ' ' HA ' ' A' ' 52' ' ' PHE . 12.7 m0 -94.97 151.51 19.12 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.35 -0.841 . . . . 0.0 110.884 179.737 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 52.8 ttt180 -101.68 108.43 19.96 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 109.082 -0.71 . . . . 0.0 109.082 173.839 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.789 HG23 ' HG ' ' A' ' 23' ' ' LEU . 6.1 m -122.83 163.47 21.49 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.676 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.996 -173.53 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 11.9 ttp180 -119.38 127.52 53.22 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 114.985 -1.007 . . . . 0.0 109.018 176.467 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . 0.733 ' HB3' HD13 ' A' ' 23' ' ' LEU . 37.6 p-10 -98.25 -177.73 3.81 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-O 120.696 0.284 . . . . 0.0 111.093 -177.648 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 2.4 p -71.02 -13.6 62.05 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.715 -178.002 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 16.1 tpt -80.35 0.93 30.91 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 109.577 -0.527 . . . . 0.0 109.577 175.038 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 23.7 m-80 69.87 15.93 7.82 Favored 'General case' 0 N--CA 1.469 0.517 0 CA-C-N 115.452 -0.795 . . . . 0.0 110.67 176.738 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.794 ' HE2' ' HA ' ' A' ' 49' ' ' LYS . 7.8 mmpt? -93.78 168.13 11.2 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.474 -0.784 . . . . 0.0 110.011 179.765 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' THR . . . . . 0.461 ' HA ' HD22 ' A' ' 23' ' ' LEU . 3.0 m -141.08 150.72 43.29 Favored 'General case' 0 C--N 1.317 -0.845 0 CA-C-O 120.894 0.378 . . . . 0.0 110.758 179.444 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 177.26 -173.1 45.95 Favored Glycine 0 N--CA 1.446 -0.699 0 CA-C-N 115.824 -0.625 . . . . 0.0 111.678 -178.083 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.466 ' HA ' ' O ' ' A' ' 41' ' ' TRP . 77.1 m-85 -103.45 133.22 48.86 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.043 0.449 . . . . 0.0 110.892 -179.148 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.435 ' O ' ' HA ' ' A' ' 40' ' ' TRP . 27.1 m -121.27 148.35 49.33 Favored Pre-proline 0 C--N 1.324 -0.534 0 CA-C-N 115.491 -0.777 . . . . 0.0 111.391 -179.561 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . 0.554 ' O ' HG21 ' A' ' 58' ' ' VAL . 59.5 Cg_endo -71.74 131.24 18.18 Favored 'Trans proline' 0 CA--C 1.529 0.227 0 C-N-CA 123.477 2.784 . . . . 0.0 113.077 -178.836 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 44.2 t -65.16 -20.37 66.42 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.305 0.574 . . . . 0.0 110.444 179.641 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . 0.41 HD21 ' C ' ' A' ' 56' ' ' ASN . 0.2 OUTLIER -65.34 -35.34 80.69 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.43 178.612 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . 0.419 ' HB2' ' HG2' ' A' ' 54' ' ' PRO . 73.0 m-85 -104.07 -18.66 14.46 Favored 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 112.21 0.448 . . . . 0.0 112.21 -172.053 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.582 HG13 HD13 ' A' ' 25' ' ' ILE . 32.9 m -110.34 157.75 10.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 C-N-CA 121.03 -0.268 . . . . 0.0 110.98 -179.324 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.475 ' CG ' ' HB2' ' A' ' 12' ' ' LYS . 5.9 mm-40 . . . . . 0 C--O 1.233 0.188 0 CA-C-O 121.32 0.581 . . . . 0.0 111.978 -174.137 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 38.1 t . . . . . 0 N--CA 1.449 -0.476 0 CA-C-O 121.233 0.539 . . . . 0.0 110.67 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.522 ' HB ' ' O ' ' A' ' 59' ' ' GLU . 14.0 m -106.84 177.58 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.798 0 CA-C-N 115.066 -0.97 . . . . 0.0 109.584 177.176 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 11.7 p -136.66 143.9 34.03 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.891 0 N-CA-C 109.348 -0.612 . . . . 0.0 109.348 -178.786 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . 0.487 ' HB2' ' O ' ' A' ' 26' ' ' LYS . . . -83.84 142.7 30.43 Favored 'General case' 0 C--N 1.316 -0.876 0 CA-C-O 120.979 0.418 . . . . 0.0 111.821 -175.694 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.769 ' HB2' ' HG2' ' A' ' 59' ' ' GLU . 38.6 tttp -80.26 -50.29 10.42 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.093 -178.434 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 65.9 m-85 -134.86 161.05 36.32 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.809 -0.632 . . . . 0.0 111.014 -178.384 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 -64.29 119.66 10.72 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.303 -0.862 . . . . 0.0 111.865 -179.716 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 26.2 t80 -132.38 109.95 10.21 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.99 -0.55 . . . . 0.0 109.827 171.059 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 52.2 t -96.07 124.13 48.61 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.739 0 N-CA-C 109.622 -0.51 . . . . 0.0 109.622 178.059 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . 0.532 ' HB1' ' HG3' ' A' ' 22' ' ' GLU . . . -82.74 139.47 33.6 Favored 'General case' 0 C--N 1.318 -0.783 0 N-CA-C 109.063 -0.718 . . . . 0.0 109.063 179.884 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 27.9 mt-30 -72.45 -47.05 52.02 Favored 'General case' 0 C--N 1.319 -0.758 0 C-N-CA 120.772 -0.371 . . . . 0.0 110.938 -175.804 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 12.0 mm100 -109.25 163.03 13.74 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.675 -175.378 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.426 ' HB3' ' HE3' ' A' ' 49' ' ' LYS . 0.9 OUTLIER -73.44 -17.55 61.23 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.525 -179.512 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 4.1 pt20 -73.21 -15.38 61.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.04 0.448 . . . . 0.0 111.11 -178.633 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.532 ' HG3' ' HB1' ' A' ' 17' ' ' ALA . 1.6 pt-20 -110.52 173.36 6.37 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.43 -0.804 . . . . 0.0 108.832 176.091 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.581 ' HG ' HG21 ' A' ' 43' ' ' VAL . 0.9 OUTLIER -104.36 128.84 52.26 Favored 'General case' 0 C--N 1.323 -0.555 0 C-N-CA 120.079 -0.648 . . . . 0.0 110.077 -172.017 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 2.6 p-10 -94.32 132.05 39.31 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.065 0.46 . . . . 0.0 109.914 178.207 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.593 HD11 HG11 ' A' ' 58' ' ' VAL . 1.0 OUTLIER -131.9 176.73 8.31 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.776 0 N-CA-C 109.888 -0.412 . . . . 0.0 109.888 179.468 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.487 ' O ' ' HB2' ' A' ' 11' ' ' ALA . 17.8 tptm -145.17 158.9 43.7 Favored 'General case' 0 C--N 1.318 -0.803 0 N-CA-C 108.512 -0.921 . . . . 0.0 108.512 179.668 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 62.5 tttm -62.13 130.92 47.71 Favored 'General case' 0 N--CA 1.45 -0.46 0 C-N-CA 120.398 -0.521 . . . . 0.0 110.081 179.313 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 2.8 t30 68.06 16.64 9.5 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.34 -0.845 . . . . 0.0 110.895 177.885 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.443 ' HB2' ' HB3' ' A' ' 26' ' ' LYS . 10.0 tp10 -92.52 147.06 23.2 Favored 'General case' 0 C--N 1.331 -0.208 0 N-CA-C 110.125 -0.324 . . . . 0.0 110.125 179.192 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.573 ' O ' HD13 ' A' ' 31' ' ' LEU . 8.0 ptt180 -90.93 132.48 35.92 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.477 -177.199 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.573 HD13 ' O ' ' A' ' 30' ' ' ARG . 1.8 mm? -125.47 166.91 15.78 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 109.256 -0.646 . . . . 0.0 109.256 177.082 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 20.5 m-90 -101.5 121.01 41.19 Favored 'General case' 0 C--N 1.319 -0.741 0 N-CA-C 109.776 -0.453 . . . . 0.0 109.776 174.825 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.561 ' HA ' HG11 ' A' ' 43' ' ' VAL . 30.5 tp -97.24 119.93 36.66 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 121.102 0.477 . . . . 0.0 110.994 -176.931 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -102.57 -35.94 8.54 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.873 -178.745 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . 0.472 ' OD2' ' HD3' ' A' ' 42' ' ' ARG . 23.0 m-20 . . . . . 0 CA--C 1.516 -0.336 0 N-CA-C 112.357 0.503 . . . . 0.0 112.357 -174.505 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 7.0 m0 . . . . . 0 CA--C 1.52 -0.203 0 N-CA-C 110.095 -0.335 . . . . 0.0 110.095 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' TRP . . . . . 0.596 ' HE3' HG23 ' A' ' 58' ' ' VAL . 16.3 m0 -97.63 132.18 43.52 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 120.875 0.369 . . . . 0.0 111.484 -178.692 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.472 ' HD3' ' OD2' ' A' ' 35' ' ' ASP . 59.1 ttt-85 -85.42 109.7 18.63 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.822 -0.626 . . . . 0.0 109.723 176.406 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.581 HG21 ' HG ' ' A' ' 23' ' ' LEU . 4.7 m -126.54 161.49 32.67 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.792 0 CA-C-N 115.359 -0.837 . . . . 0.0 111.411 -177.287 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 44.2 ttm180 -122.74 131.68 53.89 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-N 114.978 -1.01 . . . . 0.0 109.317 173.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . 0.568 ' HB2' HD11 ' A' ' 23' ' ' LEU . 54.2 t30 -96.23 174.55 6.84 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 115.998 -0.546 . . . . 0.0 109.554 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 36.2 m -66.65 -7.93 24.01 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.035 0.445 . . . . 0.0 111.207 -179.34 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' MET . . . . . 0.414 ' C ' ' H ' ' A' ' 49' ' ' LYS . 14.9 tpt -85.36 5.17 31.92 Favored 'General case' 0 CA--C 1.532 0.255 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.794 179.468 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 32.9 m-80 74.88 -17.06 0.51 Allowed 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 123.354 0.662 . . . . 0.0 111.881 175.718 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.426 ' HE3' ' HB3' ' A' ' 20' ' ' GLU . 75.5 mmtt -69.57 158.66 34.83 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 109.856 -0.424 . . . . 0.0 109.856 176.221 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' THR . . . . . 0.499 ' HA ' HD21 ' A' ' 23' ' ' LEU . 4.6 m -142.45 151.97 42.28 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 109.747 -0.464 . . . . 0.0 109.747 -179.386 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 176.55 -163.43 32.55 Favored Glycine 0 N--CA 1.444 -0.802 0 C-N-CA 120.814 -0.708 . . . . 0.0 111.945 -178.633 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 81.0 m-85 -108.56 135.34 49.98 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 120.876 0.369 . . . . 0.0 110.306 -179.109 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.459 HG12 ' HB3' ' A' ' 23' ' ' LEU . 24.0 m -120.82 151.6 54.87 Favored Pre-proline 0 C--N 1.321 -0.646 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.99 179.115 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . 0.492 ' HG2' ' HB2' ' A' ' 57' ' ' TYR . 19.4 Cg_endo -58.99 118.55 5.46 Favored 'Trans proline' 0 N--CA 1.463 -0.292 0 C-N-CA 122.92 2.413 . . . . 0.0 111.796 176.537 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 1.5 p -68.45 -10.91 58.51 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.842 -0.617 . . . . 0.0 112.29 -175.593 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 24.7 p-10 -93.95 -7.6 42.49 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.613 -0.267 . . . . 0.0 111.185 176.748 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . 0.492 ' HB2' ' HG2' ' A' ' 54' ' ' PRO . 51.2 m-85 -111.01 -11.44 14.31 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 120.857 0.36 . . . . 0.0 111.102 177.909 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.596 HG23 ' HE3' ' A' ' 41' ' ' TRP . 35.0 m -120.51 157.68 23.15 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.692 0 N-CA-C 109.325 -0.62 . . . . 0.0 109.325 175.602 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.769 ' HG2' ' HB2' ' A' ' 12' ' ' LYS . 6.5 mm-40 . . . . . 0 C--N 1.33 -0.27 0 CA-C-O 121.434 0.635 . . . . 0.0 112.286 -174.318 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 83.2 t . . . . . 0 CA--C 1.514 -0.423 0 CA-C-O 121.765 0.793 . . . . 0.0 110.823 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.475 ' HB ' ' O ' ' A' ' 59' ' ' GLU . 9.7 m -116.86 177.96 2.07 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.169 0 CA-C-N 114.4 -1.273 . . . . 0.0 109.087 179.524 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 10.4 p -140.44 140.75 33.9 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.886 0 CA-C-O 121.308 0.575 . . . . 0.0 110.658 -178.446 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . 0.5 ' HA ' ' HA ' ' A' ' 58' ' ' VAL . . . -92.07 145.92 24.14 Favored 'General case' 0 C--N 1.314 -0.956 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.075 178.595 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.457 ' O ' ' HG3' ' A' ' 27' ' ' LYS . 52.4 mttp -111.41 -12.87 13.97 Favored 'General case' 0 C--N 1.321 -0.647 0 C-N-CA 120.229 -0.589 . . . . 0.0 111.213 178.765 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 81.0 m-85 -134.28 145.51 49.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.307 0.575 . . . . 0.0 111.606 174.832 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 24.8 m-20 -61.25 130.75 47.75 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.027 -0.988 . . . . 0.0 112.575 -179.026 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . 0.573 ' HB3' ' CG1' ' A' ' 25' ' ' ILE . 54.3 t80 -136.04 111.95 9.54 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.993 -0.548 . . . . 0.0 109.769 168.725 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 46.0 t -94.99 131.11 42.7 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.712 0 N-CA-C 109.856 -0.424 . . . . 0.0 109.856 179.494 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . 0.476 ' HB2' ' HB2' ' A' ' 22' ' ' GLU . . . -87.07 175.64 8.0 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.16 -0.473 . . . . 0.0 109.817 179.239 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 11.5 mt-30 -108.99 -56.94 2.21 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 120.986 0.422 . . . . 0.0 110.284 178.848 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . 0.689 ' HB2' ' HG2' ' A' ' 21' ' ' GLN . 12.1 mm100 -104.16 160.56 14.76 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.736 -0.665 . . . . 0.0 110.215 -179.345 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 50.5 mt-10 -71.59 -4.75 28.76 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-O 120.799 0.333 . . . . 0.0 111.653 179.033 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.689 ' HG2' ' HB2' ' A' ' 19' ' ' GLN . 11.2 pt20 -75.9 -20.9 57.67 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.377 0.608 . . . . 0.0 109.83 174.127 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.476 ' HB2' ' HB2' ' A' ' 17' ' ' ALA . 39.9 mt-10 -92.12 -179.52 5.29 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 114.956 -1.02 . . . . 0.0 109.524 179.21 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.814 ' HG ' HG23 ' A' ' 43' ' ' VAL . 0.8 OUTLIER -114.79 128.12 56.12 Favored 'General case' 0 N--CA 1.446 -0.651 0 N-CA-C 108.515 -0.92 . . . . 0.0 108.515 174.767 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -100.67 132.41 46.08 Favored 'General case' 0 C--N 1.322 -0.602 0 C-N-CA 120.099 -0.64 . . . . 0.0 109.526 178.264 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.573 ' CG1' ' HB3' ' A' ' 15' ' ' TYR . 1.1 pt -130.24 176.59 8.27 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.735 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.103 -177.483 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.496 ' HB3' ' HB2' ' A' ' 29' ' ' GLU . 20.9 tptp -145.0 158.69 43.73 Favored 'General case' 0 C--N 1.318 -0.788 0 N-CA-C 109.221 -0.659 . . . . 0.0 109.221 -176.504 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.457 ' HG3' ' O ' ' A' ' 12' ' ' LYS . 84.6 tttt -60.93 121.48 12.48 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 109.692 -0.485 . . . . 0.0 109.692 175.118 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 7.9 t30 70.26 35.07 2.17 Favored 'General case' 0 N--CA 1.471 0.614 0 CA-C-O 121.64 0.733 . . . . 0.0 110.598 -179.534 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.496 ' HB2' ' HB3' ' A' ' 26' ' ' LYS . 9.7 tp10 -109.8 147.89 32.45 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.155 175.563 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.658 ' O ' HD11 ' A' ' 31' ' ' LEU . 2.6 ptp180 -94.61 140.42 29.89 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.51 -176.288 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.658 HD11 ' O ' ' A' ' 30' ' ' ARG . 2.2 mm? -128.5 165.46 20.67 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 176.579 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . 0.433 ' HB2' ' HB3' ' A' ' 44' ' ' ARG . 11.9 m-90 -105.17 116.35 31.81 Favored 'General case' 0 C--N 1.316 -0.869 0 N-CA-C 109.356 -0.609 . . . . 0.0 109.356 177.122 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.543 ' HA ' HG11 ' A' ' 43' ' ' VAL . 33.3 tp -91.58 121.75 33.54 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-O 121.304 0.573 . . . . 0.0 111.718 -172.278 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.545 HD22 ' HD2' ' A' ' 42' ' ' ARG . 1.6 mm? -99.55 -54.97 2.79 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.421 -0.809 . . . . 0.0 110.173 178.023 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 12.9 m-20 . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.425 -178.216 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' TRP . . . . . 0.55 ' HA ' ' O ' ' A' ' 53' ' ' VAL . 77.6 m95 . . . . . 0 N--CA 1.462 0.16 0 CA-C-O 121.536 0.684 . . . . 0.0 110.499 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' TRP . . . . . 0.431 ' O ' ' HA ' ' A' ' 52' ' ' PHE . 51.3 m0 -82.94 151.47 25.9 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.213 -0.903 . . . . 0.0 110.501 -176.067 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.545 ' HD2' HD22 ' A' ' 34' ' ' LEU . 0.6 OUTLIER -96.02 110.81 22.98 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 109.344 -0.613 . . . . 0.0 109.344 177.47 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.814 HG23 ' HG ' ' A' ' 23' ' ' LEU . 4.3 m -127.69 157.32 39.65 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.567 -177.277 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . 0.433 ' HB3' ' HB2' ' A' ' 32' ' ' TRP . 17.1 ttm-85 -110.45 137.23 48.43 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.098 -0.955 . . . . 0.0 109.008 173.085 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . 0.537 ' HB2' HD13 ' A' ' 23' ' ' LEU . 26.7 t-20 -98.1 170.9 8.59 Favored 'General case' 0 C--N 1.317 -0.841 0 N-CA-C 109.399 -0.593 . . . . 0.0 109.399 175.88 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 32.4 t -67.59 -14.56 63.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.159 0.504 . . . . 0.0 110.445 -179.786 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' MET . . . . . 0.451 ' O ' ' HD2' ' A' ' 49' ' ' LYS . 14.1 tpt -75.66 -0.14 19.64 Favored 'General case' 0 CA--C 1.532 0.26 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.641 177.854 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 31.7 m-80 77.09 4.69 3.29 Favored 'General case' 0 N--CA 1.469 0.498 0 C-N-CA 123.53 0.732 . . . . 0.0 112.074 174.832 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.451 ' HD2' ' O ' ' A' ' 47' ' ' MET . 1.4 mptp? -94.3 165.3 12.65 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.205 175.183 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' THR . . . . . 0.565 ' HA ' HD22 ' A' ' 23' ' ' LEU . 6.5 m -141.76 153.58 44.67 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.964 -0.562 . . . . 0.0 109.568 -177.023 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 178.77 -166.0 35.45 Favored Glycine 0 N--CA 1.446 -0.672 0 C-N-CA 120.816 -0.707 . . . . 0.0 111.919 -178.521 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.431 ' HA ' ' O ' ' A' ' 41' ' ' TRP . 99.1 m-85 -107.46 139.79 41.42 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 109.78 -0.452 . . . . 0.0 109.78 -179.921 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.55 ' O ' ' HA ' ' A' ' 40' ' ' TRP . 8.9 m -131.65 152.57 80.63 Favored Pre-proline 0 C--N 1.32 -0.713 0 CA-C-N 115.782 -0.644 . . . . 0.0 111.446 -178.148 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . 0.495 ' HG2' ' HB2' ' A' ' 57' ' ' TYR . 28.2 Cg_endo -63.19 127.49 20.29 Favored 'Trans proline' 0 C--O 1.234 0.318 0 C-N-CA 123.001 2.467 . . . . 0.0 112.338 176.867 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 5.7 m -69.41 -10.24 57.11 Favored 'General case' 0 CA--C 1.534 0.364 0 CA-C-N 115.793 -0.64 . . . . 0.0 112.347 -174.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 8.5 m120 -93.87 -5.79 47.21 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.84 0.352 . . . . 0.0 111.515 178.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . 0.495 ' HB2' ' HG2' ' A' ' 54' ' ' PRO . 42.1 m-85 -113.47 -33.36 5.92 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.968 0.413 . . . . 0.0 110.017 -178.327 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.555 HG11 HD11 ' A' ' 25' ' ' ILE . 25.0 m -108.4 143.19 19.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 N-CA-C 108.522 -0.918 . . . . 0.0 108.522 172.001 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.475 ' O ' ' HB ' ' A' ' 9' ' ' VAL . 47.8 mt-10 . . . . . 0 C--N 1.322 -0.611 0 CA-C-O 121.56 0.695 . . . . 0.0 112.333 -175.32 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 24.1 t . . . . . 0 N--CA 1.451 -0.42 0 CA-C-O 121.789 0.805 . . . . 0.0 110.965 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.589 ' HB ' ' O ' ' A' ' 59' ' ' GLU . 32.0 m -112.66 179.21 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.311 -1.089 0 CA-C-N 114.572 -1.195 . . . . 0.0 108.421 177.51 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . 0.509 ' O ' ' HB2' ' A' ' 59' ' ' GLU . 8.2 p -136.7 138.93 45.76 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.852 0 O-C-N 121.894 -0.504 . . . . 0.0 110.021 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . 0.544 ' HB1' ' O ' ' A' ' 26' ' ' LYS . . . -78.85 146.07 33.86 Favored 'General case' 0 C--N 1.315 -0.902 0 CA-C-O 121.458 0.647 . . . . 0.0 112.217 -175.64 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.637 ' HB2' ' HG2' ' A' ' 59' ' ' GLU . 80.8 tttt -84.49 -51.76 6.66 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 114.993 -1.003 . . . . 0.0 110.173 -175.879 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 74.2 m-85 -138.48 161.17 37.7 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.096 179.523 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . 0.411 ' OD1' ' HG3' ' A' ' 26' ' ' LYS . 24.9 m-20 -61.18 125.13 22.64 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.706 179.209 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . 0.555 ' HB3' HG13 ' A' ' 25' ' ' ILE . 33.7 t80 -129.5 111.43 12.75 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.018 -0.537 . . . . 0.0 109.923 173.814 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 46.3 t -84.66 131.48 33.93 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.658 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.115 179.051 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . 0.49 ' HB3' ' HB2' ' A' ' 22' ' ' GLU . . . -92.04 175.21 6.95 Favored 'General case' 0 N--CA 1.448 -0.55 0 CA-C-N 116.009 -0.541 . . . . 0.0 109.729 179.87 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 21.8 mt-30 -82.54 -70.29 0.56 Allowed 'General case' 0 C--N 1.314 -0.945 0 C-N-CA 120.209 -0.597 . . . . 0.0 109.671 177.356 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . 0.624 ' HB2' ' HG2' ' A' ' 21' ' ' GLN . 15.7 mm100 -128.05 -177.22 4.05 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.603 -0.726 . . . . 0.0 109.673 -178.109 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.497 ' HB3' ' HD2' ' A' ' 49' ' ' LYS . 8.0 mp0 -70.8 -8.29 51.41 Favored 'General case' 0 C--N 1.329 -0.289 0 O-C-N 123.41 0.444 . . . . 0.0 111.352 -178.882 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.624 ' HG2' ' HB2' ' A' ' 19' ' ' GLN . 3.7 pt20 -73.2 -26.23 61.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.87 -0.605 . . . . 0.0 109.713 173.581 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.523 ' HG2' ' HG3' ' A' ' 21' ' ' GLN . 7.2 mm-40 -96.33 -179.33 4.6 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 107.786 -1.19 . . . . 0.0 107.786 177.578 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.851 ' HG ' HG23 ' A' ' 43' ' ' VAL . 0.6 OUTLIER -113.4 127.58 56.17 Favored 'General case' 0 C--N 1.32 -0.705 0 C-N-CA 119.707 -0.797 . . . . 0.0 109.149 176.012 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -102.95 125.5 49.73 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 109.522 -0.547 . . . . 0.0 109.522 179.292 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.575 HD11 HG12 ' A' ' 58' ' ' VAL . 1.5 pp -127.32 148.99 32.02 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-O 121.231 0.539 . . . . 0.0 110.734 -176.629 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.668 ' HZ1' ' HB2' ' A' ' 26' ' ' LYS . 0.0 OUTLIER -112.47 159.91 18.29 Favored 'General case' 0 C--N 1.313 -1.0 0 CA-C-O 120.988 0.423 . . . . 0.0 110.964 -178.882 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.433 ' HB3' ' HZ3' ' A' ' 27' ' ' LYS . 5.2 ttpm? -63.41 130.3 43.86 Favored 'General case' 0 C--N 1.312 -1.027 0 N-CA-C 109.446 -0.576 . . . . 0.0 109.446 174.132 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 12.5 t30 70.13 14.57 7.7 Favored 'General case' 0 N--CA 1.47 0.567 0 CA-C-O 121.535 0.683 . . . . 0.0 110.698 179.259 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.486 ' HB2' ' HB3' ' A' ' 26' ' ' LYS . 34.9 tt0 -92.76 137.29 32.49 Favored 'General case' 0 C--N 1.328 -0.363 0 O-C-N 121.897 -0.502 . . . . 0.0 109.694 -177.689 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.469 ' O ' HD11 ' A' ' 31' ' ' LEU . 2.3 ptp85 -87.42 125.05 34.04 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-O 120.845 0.355 . . . . 0.0 110.525 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.532 HD12 ' HA ' ' A' ' 45' ' ' ASN . 1.2 mm? -118.11 165.58 13.6 Favored 'General case' 0 C--N 1.318 -0.766 0 N-CA-C 109.814 -0.439 . . . . 0.0 109.814 179.063 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . 0.443 ' HE3' ' O ' ' A' ' 44' ' ' ARG . 22.0 m-90 -101.62 122.49 43.97 Favored 'General case' 0 C--N 1.317 -0.805 0 N-CA-C 109.807 -0.442 . . . . 0.0 109.807 178.046 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.565 ' HA ' HG13 ' A' ' 43' ' ' VAL . 36.5 tp -96.99 118.67 33.92 Favored 'General case' 0 C--N 1.321 -0.63 0 CA-C-O 120.911 0.386 . . . . 0.0 110.849 -175.231 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -101.15 -52.94 3.14 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.333 -178.643 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . 0.555 ' HB3' ' HB3' ' A' ' 42' ' ' ARG . 28.6 t70 . . . . . 0 C--N 1.329 -0.315 0 CA-C-O 121.058 0.456 . . . . 0.0 111.848 -175.372 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.234 0.275 0 N-CA-C 109.813 -0.44 . . . . 0.0 109.813 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 16.5 m0 -86.67 137.91 32.08 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.004 -0.543 . . . . 0.0 112.195 -175.002 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.555 ' HB3' ' HB3' ' A' ' 35' ' ' ASP . 21.4 ttm180 -95.25 110.49 22.47 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.38 -0.827 . . . . 0.0 109.127 175.691 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.851 HG23 ' HG ' ' A' ' 23' ' ' LEU . 8.5 m -128.51 167.4 23.78 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.748 0 CA-C-O 121.408 0.623 . . . . 0.0 111.705 -175.183 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . 0.443 ' O ' ' HE3' ' A' ' 32' ' ' TRP . 49.7 ttp180 -123.94 129.09 50.39 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 114.779 -1.101 . . . . 0.0 108.507 174.143 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . 0.532 ' HA ' HD12 ' A' ' 31' ' ' LEU . 32.4 p30 -91.74 -176.92 4.61 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 121.196 0.522 . . . . 0.0 111.562 -178.24 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 4.8 p -67.54 -15.32 63.6 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.399 -0.818 . . . . 0.0 111.707 -177.431 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 11.2 tpt -91.0 8.93 32.86 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.288 0.566 . . . . 0.0 110.066 178.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 28.8 m-80 62.45 30.97 17.32 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-N 115.462 -0.79 . . . . 0.0 111.243 173.592 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.497 ' HD2' ' HB3' ' A' ' 20' ' ' GLU . 24.2 mmtm -106.17 167.8 9.57 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 109.216 -0.661 . . . . 0.0 109.216 175.702 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' THR . . . . . 0.489 ' HA ' HD23 ' A' ' 23' ' ' LEU . 2.8 m -137.96 150.12 46.75 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.085 0.469 . . . . 0.0 111.285 -176.326 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 178.73 -157.45 21.06 Favored Glycine 0 N--CA 1.444 -0.822 0 N-CA-C 110.697 -0.961 . . . . 0.0 110.697 -178.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 96.9 m-85 -122.53 139.26 54.09 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 117.036 0.418 . . . . 0.0 110.499 -179.824 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.517 HG12 ' HB3' ' A' ' 23' ' ' LEU . 30.8 m -126.03 152.91 73.76 Favored Pre-proline 0 C--N 1.326 -0.418 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.995 -178.229 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . 0.553 ' O ' HG21 ' A' ' 58' ' ' VAL . 66.8 Cg_endo -71.88 124.93 10.55 Favored 'Trans proline' 0 CA--C 1.529 0.241 0 C-N-CA 123.323 2.682 . . . . 0.0 112.235 179.3 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 15.2 p -66.22 -11.52 50.47 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 112.496 0.554 . . . . 0.0 112.496 -175.221 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 64.5 t30 -86.31 -22.11 26.92 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.956 0.408 . . . . 0.0 110.685 179.37 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . 0.533 ' HB2' ' HG2' ' A' ' 54' ' ' PRO . 80.1 m-85 -105.09 -9.99 17.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.883 0.373 . . . . 0.0 111.0 -178.316 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.575 HG12 HD11 ' A' ' 25' ' ' ILE . 35.3 m -121.39 156.26 25.27 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.71 0 CA-C-O 120.894 0.378 . . . . 0.0 110.573 177.174 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.637 ' HG2' ' HB2' ' A' ' 12' ' ' LYS . 33.9 mm-40 . . . . . 0 C--N 1.318 -0.771 0 CA-C-N 115.759 -0.655 . . . . 0.0 109.778 178.925 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 87.7 t . . . . . 0 N--CA 1.45 -0.462 0 CA-C-O 121.34 0.591 . . . . 0.0 110.714 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.408 HG22 ' HB2' ' A' ' 31' ' ' LEU . 4.9 m -113.4 -175.16 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.313 -1.021 0 CA-C-N 114.839 -1.073 . . . . 0.0 109.536 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 10.0 p -140.6 160.26 24.49 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.852 0 N-CA-C 109.508 -0.552 . . . . 0.0 109.508 178.866 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . 0.456 ' HB2' ' O ' ' A' ' 26' ' ' LYS . . . -101.92 146.03 28.41 Favored 'General case' 0 C--N 1.312 -1.047 0 CA-C-O 120.764 0.316 . . . . 0.0 111.415 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.484 ' O ' ' HG3' ' A' ' 27' ' ' LYS . 0.4 OUTLIER -92.43 -37.08 12.76 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.546 178.941 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 70.6 m-85 -138.59 151.61 47.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.654 0.264 . . . . 0.0 111.33 -179.133 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -52.02 126.04 17.26 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.67 -0.696 . . . . 0.0 111.383 170.314 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . 0.588 ' HB3' ' CG1' ' A' ' 25' ' ' ILE . 7.4 t80 -129.73 110.94 12.17 Favored 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 109.481 -0.562 . . . . 0.0 109.481 171.632 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 50.5 t -87.45 130.35 37.38 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.676 0 CA-C-N 115.524 -0.762 . . . . 0.0 109.823 178.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . 0.442 ' HB1' ' HB2' ' A' ' 22' ' ' GLU . . . -91.78 145.29 24.69 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 115.766 -0.652 . . . . 0.0 109.317 -179.757 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 14.7 mt-30 -65.69 -46.95 77.12 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 120.874 0.368 . . . . 0.0 110.832 -176.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 11.5 mm100 -136.3 165.38 25.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.049 176.011 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 6.9 mp0 -70.85 -3.4 18.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.769 -174.838 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 13.9 pt20 -71.2 -17.29 62.53 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.536 0.684 . . . . 0.0 109.668 173.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.442 ' HB2' ' HB1' ' A' ' 17' ' ' ALA . 7.3 mm-40 -107.81 -178.78 3.71 Favored 'General case' 0 N--CA 1.448 -0.552 0 CA-C-N 114.88 -1.055 . . . . 0.0 108.962 178.155 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.799 HD13 ' HB3' ' A' ' 45' ' ' ASN . 0.6 OUTLIER -104.77 128.78 53.02 Favored 'General case' 0 C--N 1.321 -0.652 0 C-N-CA 120.351 -0.54 . . . . 0.0 109.891 -177.944 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -104.26 124.17 48.67 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 109.955 -0.387 . . . . 0.0 109.955 179.704 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.588 ' CG1' ' HB3' ' A' ' 15' ' ' TYR . 1.1 pt -126.84 169.15 18.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 121.372 0.606 . . . . 0.0 111.897 -174.807 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.521 ' HB3' ' HB2' ' A' ' 29' ' ' GLU . 54.5 tptt -133.63 151.03 51.59 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.348 -0.842 . . . . 0.0 109.24 -174.947 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.484 ' HG3' ' O ' ' A' ' 12' ' ' LYS . 84.8 tttt -58.72 128.25 36.28 Favored 'General case' 0 C--O 1.235 0.322 0 CA-C-N 117.984 0.356 . . . . 0.0 110.176 177.483 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 64.2 t30 68.58 20.34 8.39 Favored 'General case' 0 N--CA 1.469 0.488 0 CA-C-N 115.767 -0.651 . . . . 0.0 111.189 178.575 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.521 ' HB2' ' HB3' ' A' ' 26' ' ' LYS . 10.1 tp10 -93.6 148.5 22.04 Favored 'General case' 0 C--N 1.328 -0.357 0 O-C-N 121.887 -0.508 . . . . 0.0 109.638 174.808 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.612 ' O ' HD11 ' A' ' 31' ' ' LEU . 5.8 ptp180 -91.76 136.46 33.13 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.017 -177.167 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.612 HD11 ' O ' ' A' ' 30' ' ' ARG . 1.9 mm? -123.7 166.38 15.63 Favored 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 109.522 -0.547 . . . . 0.0 109.522 175.143 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . 0.403 ' HE3' ' O ' ' A' ' 44' ' ' ARG . 20.2 m-90 -107.59 117.68 34.74 Favored 'General case' 0 C--N 1.314 -0.961 0 N-CA-C 109.407 -0.59 . . . . 0.0 109.407 176.202 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.539 ' HA ' HG11 ' A' ' 43' ' ' VAL . 41.5 tp -92.57 114.46 27.02 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-O 120.979 0.419 . . . . 0.0 111.047 -173.642 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -99.64 -30.35 12.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.421 -179.726 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 4.4 t70 . . . . . 0 C--N 1.325 -0.472 0 CA-C-N 115.749 -0.66 . . . . 0.0 110.356 -175.843 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 13.3 m95 . . . . . 0 N--CA 1.454 -0.252 0 CA-C-O 120.961 0.41 . . . . 0.0 110.116 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' TRP . . . . . 0.461 ' O ' ' HA ' ' A' ' 52' ' ' PHE . 24.1 m0 -95.94 146.65 24.43 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.652 -175.777 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 5.0 ttm180 -108.46 111.46 23.36 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.113 -0.494 . . . . 0.0 109.875 -179.606 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.718 HG22 ' HG ' ' A' ' 23' ' ' LEU . 5.8 m -133.47 157.73 42.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-O 121.573 0.701 . . . . 0.0 112.468 -174.674 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . 0.403 ' O ' ' HE3' ' A' ' 32' ' ' TRP . 47.6 ttt-85 -108.74 136.45 48.28 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 114.785 -1.098 . . . . 0.0 108.29 170.328 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . 0.799 ' HB3' HD13 ' A' ' 23' ' ' LEU . 35.9 p-10 -107.69 177.42 4.83 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-O 120.792 0.329 . . . . 0.0 111.019 -178.488 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 8.7 m -66.78 -11.92 56.81 Favored 'General case' 0 CA--C 1.533 0.305 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.502 -178.372 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' MET . . . . . 0.472 ' HE3' HD22 ' A' ' 45' ' ' ASN . 41.3 ttp -93.19 20.81 6.52 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.177 0.513 . . . . 0.0 109.798 179.43 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 9.0 p30 49.8 26.26 1.84 Allowed 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 124.553 1.141 . . . . 0.0 113.369 174.748 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 32.2 mmtp -106.88 167.94 9.54 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 109.47 -0.567 . . . . 0.0 109.47 175.106 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' THR . . . . . 0.544 ' HA ' HD21 ' A' ' 23' ' ' LEU . 3.9 m -141.83 151.94 43.22 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 120.912 0.387 . . . . 0.0 110.522 179.598 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 176.07 -160.2 28.0 Favored Glycine 0 N--CA 1.445 -0.706 0 N-CA-C 111.201 -0.76 . . . . 0.0 111.201 -178.388 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.461 ' HA ' ' O ' ' A' ' 41' ' ' TRP . 94.6 m-85 -112.29 143.27 43.66 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 120.971 0.415 . . . . 0.0 110.672 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.488 HG11 ' HB3' ' A' ' 23' ' ' LEU . 15.8 m -128.31 151.65 76.76 Favored Pre-proline 0 C--N 1.322 -0.624 0 CA-C-N 115.494 -0.775 . . . . 0.0 111.761 -179.009 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . 0.71 ' HG2' ' HB2' ' A' ' 57' ' ' TYR . 42.9 Cg_endo -68.09 133.25 28.28 Favored 'Trans proline' 0 C--O 1.234 0.286 0 C-N-CA 123.607 2.872 . . . . 0.0 112.765 176.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 47.0 t -68.54 -11.48 59.97 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.566 -179.392 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 18.0 m120 -86.46 -24.7 25.53 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.788 0.328 . . . . 0.0 110.984 179.427 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . 0.71 ' HB2' ' HG2' ' A' ' 54' ' ' PRO . 41.6 m-85 -98.82 -25.63 14.57 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.501 -0.318 . . . . 0.0 111.036 -177.214 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.572 HG11 HD12 ' A' ' 25' ' ' ILE . 15.9 m -110.14 166.68 5.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 N-CA-C 109.583 -0.525 . . . . 0.0 109.583 177.498 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 . . . . . 0 C--N 1.33 -0.269 0 CA-C-O 121.278 0.561 . . . . 0.0 112.061 -177.618 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 42.4 t . . . . . 0 N--CA 1.452 -0.369 0 CA-C-O 121.427 0.632 . . . . 0.0 111.311 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.698 ' HB ' ' O ' ' A' ' 59' ' ' GLU . 25.6 m -114.14 179.17 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.791 0 CA-C-N 114.787 -1.097 . . . . 0.0 108.9 177.054 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 11.9 p -140.63 145.85 25.06 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.797 0 N-CA-C 109.913 -0.403 . . . . 0.0 109.913 -178.72 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -87.41 145.84 26.12 Favored 'General case' 0 C--N 1.316 -0.864 0 CA-C-O 120.97 0.414 . . . . 0.0 111.957 -176.142 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.552 ' HD3' ' CD ' ' A' ' 59' ' ' GLU . 39.1 tptt -88.71 -43.9 10.97 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.798 -0.637 . . . . 0.0 109.956 -179.576 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.421 ' HB2' ' HD2' ' A' ' 57' ' ' TYR . 96.9 m-85 -135.85 164.73 27.26 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.683 -0.689 . . . . 0.0 110.182 179.909 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 13.1 m-20 -67.84 132.36 47.24 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.75 177.172 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . 0.535 ' HB3' ' CG1' ' A' ' 25' ' ' ILE . 10.3 t80 -135.81 111.6 9.42 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.096 0.474 . . . . 0.0 110.054 174.004 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 44.2 t -90.75 128.96 42.28 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 CA-C-N 115.905 -0.589 . . . . 0.0 109.815 178.874 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . 0.525 ' HB3' ' HB2' ' A' ' 22' ' ' GLU . . . -81.32 137.78 35.74 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 109.516 -0.55 . . . . 0.0 109.516 -178.265 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 24.3 mt-30 -73.55 -29.72 62.61 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.254 0.549 . . . . 0.0 110.847 -177.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . 0.489 ' HB3' ' HG2' ' A' ' 21' ' ' GLN . 0.3 OUTLIER -139.09 156.38 47.21 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.605 -0.725 . . . . 0.0 109.526 174.975 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 -71.21 -3.2 18.97 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.904 0.383 . . . . 0.0 111.356 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.489 ' HG2' ' HB3' ' A' ' 19' ' ' GLN . 10.8 pt20 -70.72 -21.38 62.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.6 0.714 . . . . 0.0 109.295 172.699 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.525 ' HB2' ' HB3' ' A' ' 17' ' ' ALA . 6.6 mm-40 -101.44 -179.25 3.97 Favored 'General case' 0 N--CA 1.448 -0.537 0 CA-C-N 114.867 -1.06 . . . . 0.0 108.608 179.671 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.671 HD21 ' HA ' ' A' ' 50' ' ' THR . 0.6 OUTLIER -106.2 128.44 53.94 Favored 'General case' 0 C--N 1.32 -0.702 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 179.156 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -96.28 133.58 40.45 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 109.385 -0.598 . . . . 0.0 109.385 178.207 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.555 HD13 HG11 ' A' ' 58' ' ' VAL . 1.0 OUTLIER -134.11 160.14 41.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-O 121.234 0.54 . . . . 0.0 111.134 -177.376 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.529 ' HB3' ' HB2' ' A' ' 29' ' ' GLU . 4.5 tppp? -121.77 152.96 38.9 Favored 'General case' 0 C--N 1.32 -0.692 0 N-CA-C 108.8 -0.815 . . . . 0.0 108.8 -177.491 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 55.6 tttp -59.59 130.56 47.42 Favored 'General case' 0 C--N 1.326 -0.43 0 C-N-CA 120.896 -0.322 . . . . 0.0 110.411 178.589 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 4.8 t30 68.93 15.7 8.86 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.99 177.44 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.529 ' HB2' ' HB3' ' A' ' 26' ' ' LYS . 8.9 tp10 -94.26 152.31 18.78 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 122.019 -0.425 . . . . 0.0 110.243 -179.437 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.643 ' O ' HD12 ' A' ' 31' ' ' LEU . 6.3 ptp180 -91.15 140.9 29.38 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.421 -177.285 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.643 HD12 ' O ' ' A' ' 30' ' ' ARG . 2.2 mm? -127.45 168.64 14.61 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 109.223 -0.658 . . . . 0.0 109.223 175.018 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 20.3 m-90 -105.0 123.83 48.48 Favored 'General case' 0 C--N 1.315 -0.917 0 N-CA-C 109.566 -0.531 . . . . 0.0 109.566 174.779 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.541 ' HA ' HG12 ' A' ' 43' ' ' VAL . 37.5 tp -97.11 127.06 42.72 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 120.994 0.425 . . . . 0.0 111.282 -175.232 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -108.33 -39.31 5.49 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.362 179.455 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 18.9 t70 . . . . . 0 C--N 1.327 -0.385 0 CA-C-N 116.464 -0.335 . . . . 0.0 110.457 -176.163 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' TRP . . . . . 0.631 ' HB3' ' HB3' ' A' ' 52' ' ' PHE . 38.4 m0 . . . . . 0 C--O 1.231 0.083 0 CA-C-O 121.142 0.496 . . . . 0.0 110.352 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 46.1 m0 -98.97 146.86 25.58 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.373 -179.771 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 13.9 ttm-85 -93.43 107.77 19.55 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.291 178.081 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.541 HG12 ' HA ' ' A' ' 33' ' ' LEU . 5.0 m -131.95 170.89 18.97 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-N 115.74 -0.663 . . . . 0.0 111.619 -178.542 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . 0.496 ' HG3' ' O ' ' A' ' 49' ' ' LYS . 16.3 ttm180 -136.62 131.44 33.71 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.171 -0.922 . . . . 0.0 109.964 176.942 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . 0.536 ' HB2' HD13 ' A' ' 23' ' ' LEU . 21.1 t-20 -93.68 177.43 6.01 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 108.624 -0.88 . . . . 0.0 108.624 175.782 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 18.2 p -70.23 -7.76 44.72 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.999 0.428 . . . . 0.0 111.208 179.591 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 15.3 tpt -73.65 -2.56 23.62 Favored 'General case' 0 CA--C 1.532 0.277 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.717 178.878 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 28.6 m-80 74.04 -6.36 1.85 Allowed 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 123.489 0.715 . . . . 0.0 111.767 174.809 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.496 ' O ' ' HG3' ' A' ' 44' ' ' ARG . 31.1 mmtp -82.85 165.96 19.36 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 109.526 -0.546 . . . . 0.0 109.526 175.164 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' THR . . . . . 0.671 ' HA ' HD21 ' A' ' 23' ' ' LEU . 4.5 m -143.08 154.88 44.4 Favored 'General case' 0 C--N 1.32 -0.704 0 N-CA-C 109.336 -0.616 . . . . 0.0 109.336 -177.568 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 173.07 -147.54 9.75 Favored Glycine 0 N--CA 1.444 -0.831 0 C-N-CA 120.525 -0.845 . . . . 0.0 112.331 -178.578 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.631 ' HB3' ' HB3' ' A' ' 40' ' ' TRP . 76.9 m-85 -119.46 146.92 44.98 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 120.575 0.226 . . . . 0.0 110.888 -176.236 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.428 HG11 ' HB3' ' A' ' 23' ' ' LEU . 29.7 m -132.56 151.73 78.71 Favored Pre-proline 0 C--N 1.325 -0.468 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.112 177.426 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . 0.651 ' HG2' ' HB2' ' A' ' 57' ' ' TYR . 52.8 Cg_endo -69.25 123.08 9.9 Favored 'Trans proline' 0 C--N 1.345 0.394 0 C-N-CA 123.401 2.734 . . . . 0.0 112.444 177.443 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 6.2 p -64.78 -20.62 66.47 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 112.577 0.584 . . . . 0.0 112.577 -175.841 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 95.2 m-20 -84.46 -8.88 58.81 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.572 0.225 . . . . 0.0 111.248 -179.779 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . 0.651 ' HB2' ' HG2' ' A' ' 54' ' ' PRO . 69.5 m-85 -114.43 -4.78 12.89 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.772 0.32 . . . . 0.0 110.871 -178.349 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.555 HG11 HD13 ' A' ' 25' ' ' ILE . 27.8 m -128.51 163.03 34.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.387 -0.369 . . . . 0.0 110.414 -179.359 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.698 ' O ' ' HB ' ' A' ' 9' ' ' VAL . 56.0 mt-10 . . . . . 0 C--N 1.325 -0.495 0 CA-C-O 121.213 0.53 . . . . 0.0 110.765 177.671 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 41.0 t . . . . . 0 N--CA 1.454 -0.255 0 CA-C-O 121.632 0.729 . . . . 0.0 111.585 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 30.8 m -118.88 -178.58 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 CA-C-N 114.541 -1.208 . . . . 0.0 108.92 178.116 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 12.2 p -140.87 141.07 32.28 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.76 0 C-N-CA 120.423 -0.511 . . . . 0.0 111.009 -178.228 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -82.26 145.79 29.82 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.532 -178.529 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.627 ' HB2' ' HG2' ' A' ' 59' ' ' GLU . 68.3 tttt -86.85 -52.19 5.63 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.48 -0.782 . . . . 0.0 109.628 -178.873 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 72.6 m-85 -132.87 165.9 23.57 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.597 -0.729 . . . . 0.0 109.597 177.772 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . 0.453 ' HB3' ' HD2' ' A' ' 26' ' ' LYS . 0.7 OUTLIER -75.73 139.07 41.67 Favored 'General case' 0 N--CA 1.447 -0.577 0 CA-C-O 121.377 0.608 . . . . 0.0 112.12 -178.139 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . 0.542 ' HB3' HG13 ' A' ' 25' ' ' ILE . 11.1 t80 -137.16 112.97 9.56 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 114.99 -1.005 . . . . 0.0 110.756 -178.893 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 54.0 t -85.88 135.58 24.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-N 116.168 -0.469 . . . . 0.0 109.966 176.483 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . 0.505 ' HB1' ' HB2' ' A' ' 22' ' ' GLU . . . -105.81 160.29 15.35 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.175 -176.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 27.0 mt-30 -67.57 -65.58 0.67 Allowed 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.871 0.367 . . . . 0.0 110.73 -179.726 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . 0.565 ' HB2' ' HG2' ' A' ' 21' ' ' GLN . 44.6 mt-30 -122.39 166.9 13.99 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 109.101 -0.703 . . . . 0.0 109.101 176.775 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.953 ' HB2' ' HD3' ' A' ' 49' ' ' LYS . 1.2 pm0 -72.98 -1.51 17.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.719 0.295 . . . . 0.0 111.793 178.638 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.565 ' HG2' ' HB2' ' A' ' 19' ' ' GLN . 10.1 pt20 -64.1 -26.59 68.61 Favored 'General case' 0 C--N 1.333 -0.132 0 CA-C-O 121.908 0.861 . . . . 0.0 108.717 167.286 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.505 ' HB2' ' HB1' ' A' ' 17' ' ' ALA . 20.0 mm-40 -92.03 -179.21 5.22 Favored 'General case' 0 N--CA 1.446 -0.658 0 N-CA-C 107.363 -1.347 . . . . 0.0 107.363 174.145 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.8 ' HG ' HG21 ' A' ' 43' ' ' VAL . 0.6 OUTLIER -110.93 127.88 55.62 Favored 'General case' 0 C--N 1.316 -0.862 0 C-N-CA 119.584 -0.846 . . . . 0.0 109.225 175.868 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 6.5 p-10 -99.25 133.62 43.28 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 109.753 -0.462 . . . . 0.0 109.753 177.645 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.594 HD12 HG11 ' A' ' 58' ' ' VAL . 1.1 pt -135.73 159.8 39.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-O 121.237 0.542 . . . . 0.0 111.199 -176.276 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.453 ' HD2' ' HB3' ' A' ' 14' ' ' ASP . 53.7 tptt -124.43 158.28 33.15 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 109.501 -0.555 . . . . 0.0 109.501 -178.25 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -57.45 124.77 20.12 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.522 0.201 . . . . 0.0 110.802 177.167 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 66.3 t30 68.34 25.55 7.01 Favored 'General case' 0 N--CA 1.467 0.375 0 O-C-N 123.902 0.751 . . . . 0.0 110.742 178.725 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.403 ' HB2' ' HB3' ' A' ' 26' ' ' LYS . 8.2 tp10 -91.34 144.77 25.24 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.08 177.883 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.438 ' O ' HD12 ' A' ' 31' ' ' LEU . 16.7 ptt-85 -93.86 126.11 38.87 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-O 120.871 0.367 . . . . 0.0 110.412 -179.177 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.438 HD12 ' O ' ' A' ' 30' ' ' ARG . 1.4 mm? -118.52 168.61 10.51 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 109.973 -0.38 . . . . 0.0 109.973 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 12.1 m-90 -104.4 122.0 44.57 Favored 'General case' 0 C--N 1.319 -0.747 0 N-CA-C 109.682 -0.488 . . . . 0.0 109.682 175.392 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.522 ' HA ' HG13 ' A' ' 43' ' ' VAL . 45.5 tp -95.9 129.98 43.0 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 120.926 0.393 . . . . 0.0 111.31 -175.358 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -108.06 -46.7 3.7 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.831 -0.622 . . . . 0.0 109.954 177.77 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . 0.472 ' HB2' ' HB3' ' A' ' 42' ' ' ARG . 7.7 m-20 . . . . . 0 N--CA 1.467 0.376 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.715 -177.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' TRP . . . . . 0.553 ' HB3' ' HB3' ' A' ' 52' ' ' PHE . 13.2 m0 . . . . . 0 N--CA 1.448 -0.554 0 N-CA-C 109.665 -0.494 . . . . 0.0 109.665 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 50.2 m0 -96.31 137.33 35.55 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-O 121.003 0.43 . . . . 0.0 110.736 179.122 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.472 ' HB3' ' HB2' ' A' ' 35' ' ' ASP . 16.1 tpp85 -86.41 108.43 18.48 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.578 -0.737 . . . . 0.0 109.59 178.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.8 HG21 ' HG ' ' A' ' 23' ' ' LEU . 6.4 m -132.45 162.12 40.31 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.681 0 CA-C-O 121.446 0.641 . . . . 0.0 111.647 -177.624 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . 0.444 ' HG2' ' O ' ' A' ' 49' ' ' LYS . 0.4 OUTLIER -126.19 125.82 43.07 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 114.653 -1.158 . . . . 0.0 108.743 178.206 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . 0.578 ' HB3' HD13 ' A' ' 23' ' ' LEU . 39.9 p30 -91.94 -178.55 5.04 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.196 0.522 . . . . 0.0 112.339 -175.147 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 15.0 m -69.66 -8.25 46.05 Favored 'General case' 0 CA--C 1.534 0.328 0 CA-C-N 115.386 -0.824 . . . . 0.0 111.902 -177.345 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 40.7 ttm -90.48 5.38 47.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.276 0.56 . . . . 0.0 109.521 177.645 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 27.4 m-80 69.81 14.7 8.02 Favored 'General case' 0 N--CA 1.467 0.412 0 CA-C-N 115.112 -0.949 . . . . 0.0 110.483 176.808 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.953 ' HD3' ' HB2' ' A' ' 20' ' ' GLU . 98.8 mttt -98.24 164.89 12.13 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.647 -0.706 . . . . 0.0 109.404 179.155 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' THR . . . . . 0.481 ' HA ' HD23 ' A' ' 23' ' ' LEU . 3.0 m -142.47 153.88 44.05 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 120.74 0.305 . . . . 0.0 110.681 -172.195 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 174.22 -147.77 9.49 Favored Glycine 0 N--CA 1.446 -0.645 0 N-CA-C 111.474 -0.65 . . . . 0.0 111.474 -179.22 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.553 ' HB3' ' HB3' ' A' ' 40' ' ' TRP . 87.7 m-85 -123.06 149.87 43.85 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 120.818 0.342 . . . . 0.0 110.622 -179.436 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.511 HG11 ' HB3' ' A' ' 23' ' ' LEU . 16.9 m -132.31 152.53 80.26 Favored Pre-proline 0 C--N 1.324 -0.528 0 CA-C-N 115.844 -0.616 . . . . 0.0 111.473 179.192 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . 0.535 ' O ' HG21 ' A' ' 58' ' ' VAL . 59.8 Cg_endo -72.06 125.05 10.55 Favored 'Trans proline' 0 C--N 1.343 0.24 0 C-N-CA 123.478 2.786 . . . . 0.0 111.798 175.924 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 1.7 p -67.66 -11.7 58.83 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 112.37 0.508 . . . . 0.0 112.37 -176.175 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 5.4 t-20 -78.06 -25.82 47.95 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.088 0.47 . . . . 0.0 110.54 177.227 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . 0.427 ' HB2' ' HG2' ' A' ' 54' ' ' PRO . 86.1 m-85 -105.43 -9.61 17.43 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.618 -176.608 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.594 HG11 HD12 ' A' ' 25' ' ' ILE . 34.3 m -121.8 152.6 25.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-O 120.831 0.348 . . . . 0.0 111.165 -178.405 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.627 ' HG2' ' HB2' ' A' ' 12' ' ' LYS . 5.7 mm-40 . . . . . 0 C--N 1.328 -0.366 0 CA-C-N 116.004 -0.544 . . . . 0.0 109.631 -178.672 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 54.1 t . . . . . 0 N--CA 1.447 -0.591 0 CA-C-O 121.615 0.722 . . . . 0.0 111.025 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.65 ' HB ' ' O ' ' A' ' 59' ' ' GLU . 25.2 m -117.4 -175.87 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.314 -0.939 0 CA-C-N 114.493 -1.23 . . . . 0.0 109.186 179.684 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 8.8 p -140.57 137.51 36.04 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.791 0 CA-C-O 120.925 0.393 . . . . 0.0 110.291 -179.307 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . 0.455 ' HB1' HD23 ' A' ' 31' ' ' LEU . . . -77.21 145.83 37.35 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-O 120.993 0.425 . . . . 0.0 111.679 -176.467 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.537 ' HD3' ' HG3' ' A' ' 59' ' ' GLU . 23.9 tptp -83.62 -52.85 6.1 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.16 -178.717 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 73.3 m-85 -129.23 166.73 18.82 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.364 -179.18 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 26.4 m-20 -68.18 131.66 45.79 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.501 176.481 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . 0.559 ' HB3' ' CG1' ' A' ' 25' ' ' ILE . 18.8 t80 -135.63 111.02 9.08 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.102 173.617 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 45.0 t -90.47 133.45 32.28 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.737 0 CA-C-N 115.684 -0.689 . . . . 0.0 109.39 177.718 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . 0.567 ' HB3' ' HG3' ' A' ' 22' ' ' GLU . . . -98.58 159.17 15.13 Favored 'General case' 0 C--N 1.32 -0.715 0 N-CA-C 109.383 -0.599 . . . . 0.0 109.383 -179.436 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 26.4 mt-30 -78.89 -43.23 25.35 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 120.832 0.349 . . . . 0.0 111.224 -176.898 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . 0.543 ' HB3' ' HG2' ' A' ' 21' ' ' GLN . 13.2 tt0 -136.93 166.26 24.05 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 109.54 -0.541 . . . . 0.0 109.54 -179.623 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 -71.21 -2.49 16.16 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.721 -0.218 . . . . 0.0 111.397 -178.612 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.543 ' HG2' ' HB3' ' A' ' 19' ' ' GLN . 3.9 pt20 -69.16 -28.33 66.34 Favored 'General case' 0 C--O 1.232 0.165 0 CA-C-O 121.243 0.544 . . . . 0.0 110.053 176.94 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.567 ' HG3' ' HB3' ' A' ' 17' ' ' ALA . 3.8 pt-20 -104.6 -178.87 3.78 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.502 -0.772 . . . . 0.0 109.037 173.836 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.507 ' HB3' HG11 ' A' ' 53' ' ' VAL . 1.0 OUTLIER -104.41 127.66 52.13 Favored 'General case' 0 C--N 1.319 -0.728 0 C-N-CA 120.064 -0.654 . . . . 0.0 109.799 -176.642 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -97.81 121.29 39.55 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.628 -0.715 . . . . 0.0 109.204 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.589 HD13 HG12 ' A' ' 58' ' ' VAL . 1.2 pt -120.56 175.1 4.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 121.278 0.561 . . . . 0.0 111.258 -175.787 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.525 ' HB3' ' HB2' ' A' ' 29' ' ' GLU . 14.6 tptp -139.0 155.04 48.29 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 109.402 -0.592 . . . . 0.0 109.402 -177.827 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 53.3 tttm -59.98 127.41 31.77 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.753 0.311 . . . . 0.0 111.059 179.104 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 7.1 t30 64.65 21.91 12.5 Favored 'General case' 0 CA--C 1.537 0.462 0 CA-C-N 115.326 -0.852 . . . . 0.0 110.828 178.214 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.525 ' HB2' ' HB3' ' A' ' 26' ' ' LYS . 10.3 tp10 -90.36 144.63 25.63 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 109.157 -0.683 . . . . 0.0 109.157 177.352 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.543 ' O ' HD13 ' A' ' 31' ' ' LEU . 6.9 ptp85 -87.74 131.01 34.64 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-O 120.765 0.317 . . . . 0.0 110.147 -178.039 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.543 HD13 ' O ' ' A' ' 30' ' ' ARG . 1.5 mm? -121.1 162.85 19.32 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 109.687 -0.486 . . . . 0.0 109.687 177.002 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . 0.459 ' HB2' ' HB3' ' A' ' 44' ' ' ARG . 17.8 m-90 -96.05 121.64 38.03 Favored 'General case' 0 C--N 1.316 -0.88 0 N-CA-C 109.091 -0.707 . . . . 0.0 109.091 174.513 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.539 ' HA ' HG11 ' A' ' 43' ' ' VAL . 30.9 tp -96.94 115.37 27.31 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 121.13 0.491 . . . . 0.0 111.297 -174.735 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -102.34 -30.74 10.87 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.21 179.144 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 14.5 t70 . . . . . 0 C--N 1.328 -0.326 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.217 -177.394 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' TRP . . . . . 0.569 ' HA ' ' O ' ' A' ' 53' ' ' VAL . 26.9 m95 . . . . . 0 N--CA 1.462 0.17 0 CA-C-O 121.445 0.64 . . . . 0.0 110.952 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 53.0 m0 -84.79 142.75 29.57 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.559 -0.746 . . . . 0.0 110.187 -177.815 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 62.3 ttt180 -90.74 111.39 22.74 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 109.516 -0.55 . . . . 0.0 109.516 178.913 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.539 HG11 ' HA ' ' A' ' 33' ' ' LEU . 6.2 m -132.11 164.57 34.43 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.721 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.975 -174.788 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . 0.459 ' HB3' ' HB2' ' A' ' 32' ' ' TRP . 34.5 ttm180 -123.82 130.66 52.97 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 114.883 -1.053 . . . . 0.0 109.371 175.928 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 21.9 t-20 -91.46 170.91 9.57 Favored 'General case' 0 C--N 1.32 -0.678 0 N-CA-C 109.119 -0.697 . . . . 0.0 109.119 176.49 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 11.9 p -68.4 -9.04 45.64 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.829 0.347 . . . . 0.0 111.297 -179.573 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' MET . . . . . 0.423 ' O ' ' HG3' ' A' ' 47' ' ' MET . 48.4 tpp -81.64 5.45 18.19 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 121.436 0.636 . . . . 0.0 109.892 175.539 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 35.9 m-80 68.5 11.21 8.27 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-N 115.494 -0.776 . . . . 0.0 111.313 174.397 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.76 ' HA ' ' HE3' ' A' ' 49' ' ' LYS . 0.0 OUTLIER -86.0 155.0 21.05 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 108.822 -0.807 . . . . 0.0 108.822 174.791 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 2.1 m -138.13 150.61 46.99 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 120.861 0.362 . . . . 0.0 110.593 177.266 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 173.7 -158.47 27.59 Favored Glycine 0 N--CA 1.445 -0.752 0 N-CA-C 111.633 -0.587 . . . . 0.0 111.633 -178.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.4 ' HB3' ' HB3' ' A' ' 40' ' ' TRP . 97.6 m-85 -114.01 144.63 42.79 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 109.75 -0.463 . . . . 0.0 109.75 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.569 ' O ' ' HA ' ' A' ' 40' ' ' TRP . 17.7 m -128.86 153.61 80.01 Favored Pre-proline 0 C--N 1.32 -0.68 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.442 -179.131 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 17.8 Cg_endo -58.45 118.15 4.98 Favored 'Trans proline' 0 N--CA 1.463 -0.303 0 C-N-CA 123.019 2.479 . . . . 0.0 111.333 173.521 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -65.91 -10.72 41.28 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.801 -0.636 . . . . 0.0 112.123 -174.648 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 17.7 m120 -89.4 -16.3 31.25 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.708 0.29 . . . . 0.0 111.327 179.905 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 39.8 m-85 -107.89 -7.1 16.35 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.994 0.426 . . . . 0.0 111.165 -176.734 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.589 HG12 HD13 ' A' ' 25' ' ' ILE . 34.7 m -122.5 152.99 27.03 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 CA-C-N 115.969 -0.56 . . . . 0.0 109.853 178.53 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.65 ' O ' ' HB ' ' A' ' 9' ' ' VAL . 6.0 mm-40 . . . . . 0 C--N 1.324 -0.537 0 CA-C-O 121.205 0.526 . . . . 0.0 110.881 -176.291 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 52.9 t . . . . . 0 N--CA 1.444 -0.756 0 CA-C-O 121.762 0.791 . . . . 0.0 110.865 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.565 ' HB ' ' O ' ' A' ' 59' ' ' GLU . 11.8 m -106.84 175.87 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.31 -1.126 0 CA-C-N 114.49 -1.232 . . . . 0.0 109.123 178.637 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 14.6 p -133.55 147.9 30.87 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.033 0 CA-C-O 121.08 0.466 . . . . 0.0 109.899 -178.577 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . 0.425 ' HB3' ' O ' ' A' ' 26' ' ' LYS . . . -86.67 145.34 26.74 Favored 'General case' 0 C--N 1.314 -0.954 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.005 -179.506 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 56.1 tttt -97.19 -41.41 8.32 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.67 -0.696 . . . . 0.0 110.218 -176.595 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 91.2 m-85 -140.66 149.38 42.18 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.543 -179.063 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . 0.499 ' CG ' ' HZ1' ' A' ' 26' ' ' LYS . 13.5 m-20 -47.52 125.97 9.14 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.258 -0.883 . . . . 0.0 112.939 176.315 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . 0.501 ' HB3' ' CG1' ' A' ' 25' ' ' ILE . 8.4 t80 -136.62 110.35 8.1 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.837 -0.62 . . . . 0.0 109.6 168.223 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 47.9 t -95.04 131.27 42.3 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.747 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.134 179.294 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -97.26 149.23 22.29 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.879 -0.601 . . . . 0.0 109.631 178.624 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 7.6 mm100 -79.69 -59.68 2.64 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-O 121.194 0.521 . . . . 0.0 111.888 -178.759 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . 0.537 ' HB2' ' HG2' ' A' ' 21' ' ' GLN . 38.2 mt-30 -108.3 164.56 12.21 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.112 -179.287 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 23.1 mt-10 -71.84 -3.66 23.55 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.365 -176.191 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.537 ' HG2' ' HB2' ' A' ' 19' ' ' GLN . 8.9 pt20 -69.26 -21.53 63.89 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.508 177.018 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.483 ' HA ' ' HA3' ' A' ' 51' ' ' GLY . 5.9 mm-40 -112.07 176.92 4.82 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.744 -0.662 . . . . 0.0 109.902 179.102 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.772 ' HG ' HG21 ' A' ' 43' ' ' VAL . 0.7 OUTLIER -104.78 129.01 53.11 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 109.481 -0.562 . . . . 0.0 109.481 -179.562 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 2.9 p-10 -99.65 135.17 41.47 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 109.681 -0.488 . . . . 0.0 109.681 178.018 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.559 HD12 HG11 ' A' ' 58' ' ' VAL . 1.1 pt -133.55 175.38 11.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-O 120.981 0.419 . . . . 0.0 111.056 -176.89 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.499 ' HZ1' ' CG ' ' A' ' 14' ' ' ASP . 26.7 tptp -143.41 151.74 40.75 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 108.543 -0.91 . . . . 0.0 108.543 -177.919 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 58.6 tttp -55.15 126.17 23.67 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 118.018 0.372 . . . . 0.0 110.191 176.035 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 72.57 22.31 3.34 Favored 'General case' 0 N--CA 1.469 0.495 0 O-C-N 124.003 0.814 . . . . 0.0 110.613 177.531 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.481 ' HB2' ' HB3' ' A' ' 26' ' ' LYS . 8.6 tp10 -97.24 149.76 21.67 Favored 'General case' 0 C--N 1.331 -0.216 0 N-CA-C 109.643 -0.503 . . . . 0.0 109.643 177.482 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.703 ' O ' HD13 ' A' ' 31' ' ' LEU . 0.0 OUTLIER -96.43 136.64 36.65 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 120.506 0.193 . . . . 0.0 110.774 -177.877 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.703 HD13 ' O ' ' A' ' 30' ' ' ARG . 1.8 mm? -128.53 166.42 18.85 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 110.045 -0.354 . . . . 0.0 110.045 177.842 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 8.0 m-90 -104.66 121.62 43.94 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 109.567 -0.531 . . . . 0.0 109.567 176.745 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.54 ' HA ' HG12 ' A' ' 43' ' ' VAL . 36.8 tp -95.85 118.88 33.33 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 121.136 0.493 . . . . 0.0 111.192 -176.11 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -98.31 -45.88 6.01 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.272 -179.105 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . 0.502 ' HB3' ' HD3' ' A' ' 42' ' ' ARG . 25.1 t70 . . . . . 0 C--N 1.328 -0.351 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.999 -177.402 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' TRP . . . . . 0.462 ' CD1' ' HA ' ' A' ' 54' ' ' PRO . 42.0 m0 . . . . . 0 C--O 1.235 0.299 0 N-CA-C 110.22 -0.289 . . . . 0.0 110.22 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' TRP . . . . . 0.502 ' CE3' HG22 ' A' ' 58' ' ' VAL . 39.7 m0 -117.49 144.24 45.25 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 121.432 0.634 . . . . 0.0 111.371 178.71 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.502 ' HD3' ' HB3' ' A' ' 35' ' ' ASP . 66.5 ttt180 -99.78 105.94 17.78 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 114.926 -1.034 . . . . 0.0 110.63 -174.94 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.772 HG21 ' HG ' ' A' ' 23' ' ' LEU . 6.1 m -129.07 168.87 21.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 121.365 0.602 . . . . 0.0 112.474 -173.547 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . 0.617 ' HG2' ' O ' ' A' ' 49' ' ' LYS . 1.1 tmm_? -138.34 123.46 19.15 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 114.871 -1.058 . . . . 0.0 108.321 179.575 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . 0.584 ' O ' ' HD2' ' A' ' 44' ' ' ARG . 40.4 p30 -93.21 -177.47 4.47 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.823 0.344 . . . . 0.0 111.35 -176.84 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 28.1 t -66.82 -14.55 62.79 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.66 -176.579 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' MET . . . . . 0.785 ' HG2' ' HE2' ' A' ' 49' ' ' LYS . 35.9 ttm -87.35 9.81 19.33 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.184 0.516 . . . . 0.0 109.98 -179.314 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 29.9 m-80 67.47 14.19 9.54 Favored 'General case' 0 N--CA 1.466 0.37 0 CA-C-N 115.489 -0.778 . . . . 0.0 111.45 174.077 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.785 ' HE2' ' HG2' ' A' ' 47' ' ' MET . 71.6 mmtt -87.87 158.17 18.79 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 109.695 -0.483 . . . . 0.0 109.695 178.28 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 3.6 m -136.86 153.08 50.86 Favored 'General case' 0 C--N 1.32 -0.689 0 N-CA-C 110.328 -0.249 . . . . 0.0 110.328 176.407 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . 0.483 ' HA3' ' HA ' ' A' ' 22' ' ' GLU . . . 171.96 -172.04 44.5 Favored Glycine 0 N--CA 1.445 -0.74 0 N-CA-C 111.599 -0.6 . . . . 0.0 111.599 -178.934 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 80.8 m-85 -105.06 133.16 50.3 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.996 0.427 . . . . 0.0 110.357 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.471 HG11 ' HB3' ' A' ' 23' ' ' LEU . 21.6 m -117.02 144.4 33.49 Favored Pre-proline 0 C--N 1.321 -0.644 0 CA-C-N 115.582 -0.736 . . . . 0.0 111.156 179.198 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . 0.514 ' HG2' ' HB2' ' A' ' 57' ' ' TYR . 19.2 Cg_endo -57.09 125.48 19.09 Favored 'Trans proline' 0 C--O 1.234 0.314 0 C-N-CA 123.572 2.848 . . . . 0.0 112.004 177.861 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 7.0 m -67.26 -11.52 57.7 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.73 -0.668 . . . . 0.0 111.936 -174.265 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 21.8 m120 -93.22 -14.77 26.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.629 0.252 . . . . 0.0 111.548 179.347 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . 0.514 ' HB2' ' HG2' ' A' ' 54' ' ' PRO . 55.0 m-85 -103.6 -8.81 19.71 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.828 0.347 . . . . 0.0 110.986 -178.577 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.559 HG11 HD12 ' A' ' 25' ' ' ILE . 21.6 m -127.57 158.75 38.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 N-CA-C 110.008 -0.368 . . . . 0.0 110.008 179.497 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.565 ' O ' ' HB ' ' A' ' 9' ' ' VAL . 5.8 mm-40 . . . . . 0 C--N 1.329 -0.3 0 CA-C-O 120.924 0.392 . . . . 0.0 111.261 -177.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 46.4 t . . . . . 0 N--CA 1.454 -0.258 0 CA-C-O 121.475 0.655 . . . . 0.0 111.434 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 5.6 m -116.62 174.62 3.42 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.72 0 CA-C-N 114.871 -1.059 . . . . 0.0 109.163 174.355 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 14.4 p -137.04 155.38 32.6 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.793 0 N-CA-C 109.679 -0.489 . . . . 0.0 109.679 -178.04 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . 0.484 ' HA ' ' HA ' ' A' ' 58' ' ' VAL . . . -108.62 146.85 32.73 Favored 'General case' 0 C--N 1.32 -0.686 0 N-CA-C 111.418 0.155 . . . . 0.0 111.418 -178.743 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.535 ' O ' ' HG3' ' A' ' 27' ' ' LYS . 3.8 ttmp? -89.42 -44.91 9.84 Favored 'General case' 0 C--N 1.329 -0.315 0 C-N-CA 121.023 -0.271 . . . . 0.0 110.625 176.222 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 65.5 m-85 -122.54 148.16 45.52 Favored 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 120.821 -0.352 . . . . 0.0 111.039 -179.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . 0.573 ' HB3' ' HD3' ' A' ' 26' ' ' LYS . 1.0 OUTLIER -68.21 143.16 55.44 Favored 'General case' 0 N--CA 1.446 -0.656 0 CA-C-O 121.475 0.655 . . . . 0.0 112.15 179.962 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . 0.52 ' HB3' ' CG1' ' A' ' 25' ' ' ILE . 10.5 t80 -137.99 119.1 14.44 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 114.884 -1.053 . . . . 0.0 110.091 177.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 47.9 t -93.3 133.35 34.72 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 N-CA-C 109.887 -0.412 . . . . 0.0 109.887 178.333 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . 0.498 ' HB2' ' HB2' ' A' ' 22' ' ' GLU . . . -98.58 164.16 12.37 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.043 -0.526 . . . . 0.0 109.999 -178.75 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 20.3 mt-30 -80.67 -51.9 8.17 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 120.869 -0.332 . . . . 0.0 111.272 -174.535 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . 0.445 ' HB3' ' HG2' ' A' ' 21' ' ' GLN . 24.7 tp60 -131.31 170.69 14.28 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 179.579 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.591 ' HB3' ' HD2' ' A' ' 49' ' ' LYS . 1.8 mp0 -70.75 -3.47 18.89 Favored 'General case' 0 N--CA 1.469 0.482 0 CA-C-O 120.783 0.325 . . . . 0.0 111.304 -178.631 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.445 ' HG2' ' HB3' ' A' ' 19' ' ' GLN . 24.1 pt20 -70.44 -20.13 62.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.61 0.719 . . . . 0.0 109.366 173.026 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.498 ' HB2' ' HB2' ' A' ' 17' ' ' ALA . 3.6 mt-10 -105.51 -178.63 3.71 Favored 'General case' 0 N--CA 1.449 -0.497 0 CA-C-N 114.643 -1.162 . . . . 0.0 109.134 178.073 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.677 ' HG ' HG21 ' A' ' 43' ' ' VAL . 0.8 OUTLIER -115.15 128.73 56.38 Favored 'General case' 0 C--N 1.323 -0.587 0 N-CA-C 110.04 -0.356 . . . . 0.0 110.04 -178.719 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 4.0 p-10 -95.36 135.26 37.2 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 109.415 -0.587 . . . . 0.0 109.415 177.441 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.573 HD11 HG11 ' A' ' 58' ' ' VAL . 1.0 OUTLIER -135.08 158.38 41.1 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 C-N-CA 120.608 -0.437 . . . . 0.0 110.968 -179.229 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.589 ' HB3' ' HB2' ' A' ' 29' ' ' GLU . 4.0 tppp? -126.99 158.61 36.45 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 116.468 -0.333 . . . . 0.0 110.156 -177.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.535 ' HG3' ' O ' ' A' ' 12' ' ' LYS . 82.2 tttt -55.61 124.65 18.06 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.294 172.499 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 12.3 t-20 69.03 20.77 7.64 Favored 'General case' 0 N--CA 1.47 0.545 0 O-C-N 123.89 0.744 . . . . 0.0 110.705 179.868 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.589 ' HB2' ' HB3' ' A' ' 26' ' ' LYS . 9.5 tp10 -92.1 145.62 24.37 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 121.942 -0.473 . . . . 0.0 109.916 178.707 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.487 ' O ' HD13 ' A' ' 31' ' ' LEU . 9.3 ptt180 -96.3 129.74 43.56 Favored 'General case' 0 C--N 1.316 -0.863 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.209 -178.52 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.487 HD13 ' O ' ' A' ' 30' ' ' ARG . 1.5 mm? -120.51 165.38 15.05 Favored 'General case' 0 C--N 1.314 -0.971 0 N-CA-C 109.372 -0.603 . . . . 0.0 109.372 178.953 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . 0.541 ' HB2' ' HB3' ' A' ' 44' ' ' ARG . 24.5 m-90 -105.54 122.13 45.39 Favored 'General case' 0 C--N 1.314 -0.967 0 N-CA-C 109.551 -0.537 . . . . 0.0 109.551 176.106 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.524 ' HA ' HG12 ' A' ' 43' ' ' VAL . 37.6 tp -97.8 114.69 26.78 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 120.885 0.374 . . . . 0.0 111.053 -175.044 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -101.27 -36.79 8.78 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.919 -176.86 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 22.7 t0 . . . . . 0 C--N 1.328 -0.353 0 CA-C-N 116.503 -0.317 . . . . 0.0 110.721 -175.904 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 33.0 m95 . . . . . 0 N--CA 1.452 -0.361 0 N-CA-C 109.623 -0.51 . . . . 0.0 109.623 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' TRP . . . . . 0.536 ' O ' ' HA ' ' A' ' 52' ' ' PHE . 41.8 m0 -95.23 140.83 29.58 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.246 -179.429 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.439 ' HA ' ' O ' ' A' ' 51' ' ' GLY . 56.0 ttt180 -88.21 110.15 20.48 Favored 'General case' 0 C--O 1.237 0.438 0 N-CA-C 109.567 -0.531 . . . . 0.0 109.567 179.466 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.677 HG21 ' HG ' ' A' ' 23' ' ' LEU . 4.1 m -129.19 166.9 25.63 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 CA-C-N 115.559 -0.746 . . . . 0.0 111.92 -175.361 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . 0.541 ' HB3' ' HB2' ' A' ' 32' ' ' TRP . 57.2 ttt-85 -123.06 130.85 53.33 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 114.858 -1.065 . . . . 0.0 109.12 176.699 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . 0.548 ' H ' HD23 ' A' ' 23' ' ' LEU . 52.8 t30 -94.09 172.89 7.94 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 120.845 0.355 . . . . 0.0 110.65 -179.913 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' SER . . . . . 0.414 ' C ' ' H ' ' A' ' 48' ' ' ASN . 45.1 t -66.28 -17.34 64.69 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.482 177.928 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' MET . . . . . 0.422 ' O ' ' HG2' ' A' ' 49' ' ' LYS . 27.9 ttt -80.1 16.15 1.31 Allowed 'General case' 0 CA--C 1.533 0.308 0 CA-C-N 116.121 -0.49 . . . . 0.0 109.967 176.343 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . 0.414 ' H ' ' C ' ' A' ' 46' ' ' SER . 4.6 p30 48.09 32.12 2.81 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 123.987 0.915 . . . . 0.0 112.431 178.876 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.591 ' HD2' ' HB3' ' A' ' 20' ' ' GLU . 69.5 mmtt -104.22 165.25 11.17 Favored 'General case' 0 N--CA 1.45 -0.471 0 N-CA-C 108.728 -0.841 . . . . 0.0 108.728 172.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 2.4 m -136.33 150.36 48.83 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 120.729 0.3 . . . . 0.0 110.416 178.375 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . 0.439 ' O ' ' HA ' ' A' ' 42' ' ' ARG . . . 174.95 -155.14 20.1 Favored Glycine 0 N--CA 1.448 -0.502 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.933 -178.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.536 ' HA ' ' O ' ' A' ' 41' ' ' TRP . 91.9 m-85 -120.78 144.12 48.47 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 110.121 -0.326 . . . . 0.0 110.121 -178.277 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.48 HG12 ' HB3' ' A' ' 23' ' ' LEU . 28.7 m -129.74 158.03 74.86 Favored Pre-proline 0 C--N 1.323 -0.544 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.68 -179.113 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . 0.499 ' HG2' ' HB2' ' A' ' 57' ' ' TYR . 59.6 Cg_endo -74.3 133.12 17.27 Favored 'Trans proline' 0 C--N 1.346 0.446 0 C-N-CA 123.049 2.499 . . . . 0.0 112.582 176.788 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 8.5 p -71.83 -10.82 60.33 Favored 'General case' 0 C--N 1.327 -0.413 0 N-CA-C 112.811 0.671 . . . . 0.0 112.811 -175.412 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . 0.425 ' OD1' ' HB2' ' A' ' 54' ' ' PRO . 21.6 p-10 -94.37 -1.47 53.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.717 0.294 . . . . 0.0 111.622 179.919 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . 0.499 ' HB2' ' HG2' ' A' ' 54' ' ' PRO . 52.1 m-85 -114.37 -28.44 7.23 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.808 0.337 . . . . 0.0 110.618 177.445 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.573 HG11 HD11 ' A' ' 25' ' ' ILE . 35.0 m -107.95 160.33 7.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 N-CA-C 109.473 -0.566 . . . . 0.0 109.473 178.4 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.408 ' OE2' ' HB2' ' A' ' 12' ' ' LYS . 45.3 mt-10 . . . . . 0 C--N 1.322 -0.61 0 CA-C-O 121.48 0.657 . . . . 0.0 112.05 -176.12 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.438 ' CG1' ' HB2' ' A' ' 30' ' ' ARG . 47.1 t . . . . . 0 N--CA 1.445 -0.676 0 CA-C-O 121.433 0.635 . . . . 0.0 111.39 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.48 ' HB ' ' O ' ' A' ' 59' ' ' GLU . 12.4 m -105.59 176.32 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.316 -0.868 0 CA-C-N 114.78 -1.1 . . . . 0.0 108.575 175.303 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 14.1 p -131.95 155.37 41.53 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.821 0 C-N-CA 120.75 -0.38 . . . . 0.0 110.259 -178.599 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -97.86 146.36 25.51 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 120.974 0.416 . . . . 0.0 111.287 179.616 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.439 ' HB2' ' HE3' ' A' ' 12' ' ' LYS . 38.0 ttmt -90.23 -45.47 9.06 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.943 -0.572 . . . . 0.0 110.185 -178.49 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.412 ' HB2' ' CD2' ' A' ' 57' ' ' TYR . 65.1 m-85 -136.94 168.92 18.66 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.51 179.757 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 34.0 m-20 -69.05 133.69 48.43 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.549 178.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . 0.555 ' HB3' ' CG1' ' A' ' 25' ' ' ILE . 7.6 t80 -135.61 111.4 9.38 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.714 -0.675 . . . . 0.0 109.53 171.83 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.431 ' HA ' ' OD1' ' A' ' 24' ' ' ASP . 40.7 t -94.36 126.4 46.79 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.311 -179.784 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -87.36 131.53 34.25 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.934 -0.575 . . . . 0.0 109.47 179.713 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 8.5 tt0 -61.96 -38.9 90.24 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 121.013 0.435 . . . . 0.0 111.339 -175.756 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 81.3 mm-40 -129.6 156.42 44.24 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.066 -0.516 . . . . 0.0 109.924 178.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -71.19 -3.05 18.09 Favored 'General case' 0 N--CA 1.464 0.249 0 N-CA-C 111.954 0.353 . . . . 0.0 111.954 -176.822 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 3.8 pt20 -72.52 -17.62 61.72 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.143 0.497 . . . . 0.0 110.459 175.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 71.3 mm-40 -108.19 -177.88 3.45 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.497 -0.774 . . . . 0.0 109.615 176.686 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.774 ' HG ' HG22 ' A' ' 43' ' ' VAL . 0.8 OUTLIER -103.4 128.26 50.57 Favored 'General case' 0 C--N 1.32 -0.69 0 C-N-CA 120.642 -0.423 . . . . 0.0 110.206 -175.923 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . 0.431 ' OD1' ' HA ' ' A' ' 16' ' ' VAL . 24.9 t70 -97.21 121.72 39.42 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.225 -0.443 . . . . 0.0 109.852 176.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.571 HD11 HG11 ' A' ' 58' ' ' VAL . 0.9 OUTLIER -121.11 162.59 19.8 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 CA-C-O 120.922 0.392 . . . . 0.0 110.469 -179.321 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.413 ' HB2' ' HE2' ' A' ' 26' ' ' LYS . 0.4 OUTLIER -129.54 154.77 46.71 Favored 'General case' 0 C--N 1.319 -0.753 0 C-N-CA 120.786 -0.366 . . . . 0.0 110.031 -177.861 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 82.8 tttt -55.29 124.41 16.96 Favored 'General case' 0 C--N 1.319 -0.736 0 O-C-N 123.656 0.597 . . . . 0.0 111.205 179.545 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 64.5 t30 64.7 23.88 12.83 Favored 'General case' 0 CA--C 1.535 0.391 0 CA-C-N 115.646 -0.706 . . . . 0.0 111.007 176.593 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -100.07 155.1 17.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.227 -0.442 . . . . 0.0 109.911 178.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.622 ' O ' HD13 ' A' ' 31' ' ' LEU . 6.7 ptp180 -93.01 141.36 28.48 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 120.759 0.314 . . . . 0.0 111.044 -176.479 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.622 HD13 ' O ' ' A' ' 30' ' ' ARG . 2.3 mm? -129.16 167.77 17.11 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 109.616 -0.512 . . . . 0.0 109.616 175.305 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 18.5 m-90 -105.47 120.57 41.96 Favored 'General case' 0 C--N 1.317 -0.812 0 N-CA-C 109.486 -0.561 . . . . 0.0 109.486 173.855 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.59 ' HA ' HG11 ' A' ' 43' ' ' VAL . 41.9 tp -95.25 124.02 39.07 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 120.981 0.42 . . . . 0.0 111.195 -176.164 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -102.42 -51.05 3.43 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.626 -0.716 . . . . 0.0 110.078 178.227 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 . . . . . 0 C--N 1.328 -0.344 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.596 -176.528 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' TRP . . . . . 0.542 ' HB3' ' HB3' ' A' ' 52' ' ' PHE . 61.2 m95 . . . . . 0 N--CA 1.465 0.294 0 CA-C-O 121.071 0.462 . . . . 0.0 110.507 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' TRP . . . . . 0.422 ' O ' ' HA ' ' A' ' 52' ' ' PHE . 42.4 m0 -90.59 146.7 23.85 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.686 -177.173 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 21.5 ttp180 -95.62 113.74 25.41 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.991 0.424 . . . . 0.0 110.035 178.189 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.774 HG22 ' HG ' ' A' ' 23' ' ' LEU . 5.6 m -126.96 166.93 22.6 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 CA-C-N 115.562 -0.745 . . . . 0.0 111.389 -177.502 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . 0.475 ' HG3' ' O ' ' A' ' 49' ' ' LYS . 39.2 ttt180 -133.95 127.29 32.1 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.464 -0.789 . . . . 0.0 109.822 176.837 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 28.3 t-20 -87.45 174.84 8.26 Favored 'General case' 0 C--N 1.32 -0.69 0 N-CA-C 109.193 -0.669 . . . . 0.0 109.193 178.537 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 6.2 p -68.27 -15.21 63.48 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.947 0.404 . . . . 0.0 111.096 -178.523 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 53.0 tpp -75.32 -3.23 32.27 Favored 'General case' 0 CA--C 1.533 0.312 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.191 174.687 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 22.9 m-80 71.12 9.74 6.72 Favored 'General case' 0 N--CA 1.468 0.442 0 C-N-CA 123.858 0.863 . . . . 0.0 111.756 174.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.475 ' O ' ' HG3' ' A' ' 44' ' ' ARG . 71.7 mmtt -74.3 155.09 38.58 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 108.22 -1.03 . . . . 0.0 108.22 172.44 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' THR . . . . . 0.411 ' HA ' HD23 ' A' ' 23' ' ' LEU . 3.0 m -133.82 153.12 51.96 Favored 'General case' 0 C--N 1.319 -0.736 0 N-CA-C 110.226 -0.287 . . . . 0.0 110.226 177.554 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 171.25 -169.36 42.42 Favored Glycine 0 N--CA 1.447 -0.595 0 C-N-CA 120.842 -0.695 . . . . 0.0 111.886 -179.401 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.542 ' HB3' ' HB3' ' A' ' 40' ' ' TRP . 91.3 m-85 -108.54 140.33 42.05 Favored 'General case' 0 N--CA 1.448 -0.56 0 CA-C-O 121.085 0.469 . . . . 0.0 110.362 -179.126 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 27.7 m -123.05 148.34 54.09 Favored Pre-proline 0 C--N 1.317 -0.815 0 CA-C-N 115.737 -0.665 . . . . 0.0 111.24 -179.106 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . 0.5 ' HG2' ' HB2' ' A' ' 57' ' ' TYR . 33.7 Cg_endo -64.88 128.67 21.36 Favored 'Trans proline' 0 N--CA 1.462 -0.352 0 C-N-CA 122.96 2.44 . . . . 0.0 111.837 178.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 32.2 t -67.82 -11.33 58.34 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.055 -0.521 . . . . 0.0 111.511 -175.569 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 2.8 m-20 -90.19 -14.97 32.38 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.696 0.284 . . . . 0.0 111.238 -178.009 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . 0.5 ' HB2' ' HG2' ' A' ' 54' ' ' PRO . 39.5 m-85 -109.77 -9.11 14.84 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.593 -0.276 . . . . 0.0 111.372 -177.751 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.571 HG11 HD11 ' A' ' 25' ' ' ILE . 27.8 m -124.48 164.23 23.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-O 120.523 0.201 . . . . 0.0 110.908 -178.607 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.48 ' O ' ' HB ' ' A' ' 9' ' ' VAL . 41.1 mm-40 . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.074 -178.047 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 79.0 t . . . . . 0 C--O 1.234 0.244 0 CA-C-O 121.778 0.799 . . . . 0.0 111.46 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 20.2 m -118.58 -177.67 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.317 -0.84 0 CA-C-N 114.093 -1.412 . . . . 0.0 108.852 178.033 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 12.5 p -140.65 143.27 29.19 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.692 0 C-N-CA 120.804 -0.358 . . . . 0.0 110.129 -179.867 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . 0.495 ' HB2' HD22 ' A' ' 31' ' ' LEU . . . -89.75 146.21 24.65 Favored 'General case' 0 C--N 1.316 -0.865 0 CA-C-O 121.028 0.442 . . . . 0.0 111.944 -176.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.581 ' HB2' ' HG2' ' A' ' 59' ' ' GLU . 51.9 tptt -85.09 -49.1 8.55 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.2 -178.731 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 58.7 m-85 -132.81 167.97 19.22 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.228 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 25.0 m-20 -67.75 128.28 35.89 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.606 -0.724 . . . . 0.0 111.017 178.324 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . 0.532 ' HB3' ' CG1' ' A' ' 25' ' ' ILE . 33.2 t80 -131.85 111.11 11.31 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.15 -0.477 . . . . 0.0 109.759 172.184 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 27.0 t -81.65 142.33 13.89 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-N 115.857 -0.61 . . . . 0.0 109.709 178.891 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . 0.505 ' HB1' ' HB2' ' A' ' 22' ' ' GLU . . . -86.1 153.63 21.95 Favored 'General case' 0 N--CA 1.441 -0.911 0 N-CA-C 109.569 -0.53 . . . . 0.0 109.569 -177.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 8.0 tt0 -67.98 -55.28 13.28 Favored 'General case' 0 C--N 1.315 -0.927 0 N-CA-C 109.569 -0.53 . . . . 0.0 109.569 178.409 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 23.4 mm-40 -147.44 -167.91 2.91 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 114.944 -1.026 . . . . 0.0 108.742 173.048 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 4.5 mp0 -70.9 -3.58 19.93 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-O 120.964 0.411 . . . . 0.0 110.792 179.597 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.418 ' HG3' ' OE2' ' A' ' 22' ' ' GLU . 12.7 pt20 -78.34 -17.98 55.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.384 0.612 . . . . 0.0 110.109 175.339 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.505 ' HB2' ' HB1' ' A' ' 17' ' ' ALA . 49.0 mm-40 -110.39 177.34 4.72 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 108.326 -0.99 . . . . 0.0 108.326 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.509 HD23 ' HA ' ' A' ' 50' ' ' THR . 1.1 tm? -105.85 128.03 53.49 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 109.379 -0.6 . . . . 0.0 109.379 177.003 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -96.23 117.71 31.33 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 109.99 -0.374 . . . . 0.0 109.99 179.635 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.564 HD11 HG11 ' A' ' 58' ' ' VAL . 1.0 OUTLIER -118.72 176.5 3.12 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.652 0 CA-C-O 120.882 0.372 . . . . 0.0 110.146 179.423 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.569 ' HZ3' ' HB2' ' A' ' 26' ' ' LYS . 0.0 OUTLIER -142.58 164.23 30.67 Favored 'General case' 0 C--N 1.316 -0.865 0 N-CA-C 109.396 -0.594 . . . . 0.0 109.396 -178.184 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 37.9 ttpt -63.42 139.34 58.76 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 110.089 -0.337 . . . . 0.0 110.089 177.909 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 3.1 p-10 48.95 28.83 2.12 Favored 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 124.115 0.966 . . . . 0.0 112.047 -177.046 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -89.65 146.29 24.64 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.903 -0.589 . . . . 0.0 109.837 176.478 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 2.4 ptm180 -96.49 126.62 41.81 Favored 'General case' 0 C--N 1.319 -0.758 0 N-CA-C 109.687 -0.486 . . . . 0.0 109.687 179.56 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.495 HD22 ' HB2' ' A' ' 11' ' ' ALA . 1.3 mm? -117.78 165.55 13.51 Favored 'General case' 0 C--N 1.318 -0.771 0 N-CA-C 109.853 -0.425 . . . . 0.0 109.853 -178.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . 0.416 ' HE3' ' O ' ' A' ' 44' ' ' ARG . 12.1 m-90 -102.88 124.06 47.68 Favored 'General case' 0 C--N 1.315 -0.921 0 N-CA-C 109.577 -0.527 . . . . 0.0 109.577 175.668 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.582 ' HA ' HG13 ' A' ' 43' ' ' VAL . 43.9 tp -99.01 117.7 34.12 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 121.161 0.505 . . . . 0.0 111.388 -174.604 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.421 HD22 ' N ' ' A' ' 34' ' ' LEU . 1.9 mm? -106.87 -26.89 11.03 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.671 -0.695 . . . . 0.0 111.098 -178.145 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . 0.599 ' HB3' ' HB3' ' A' ' 42' ' ' ARG . 11.0 t70 . . . . . 0 C--N 1.328 -0.345 0 CA-C-O 120.957 0.408 . . . . 0.0 111.633 -175.687 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 8.1 m0 . . . . . 0 C--O 1.234 0.248 0 N-CA-C 109.386 -0.598 . . . . 0.0 109.386 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 51.1 m0 -83.31 139.77 32.86 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-O 121.161 0.505 . . . . 0.0 110.847 -177.444 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.599 ' HB3' ' HB3' ' A' ' 35' ' ' ASP . 42.2 ttp180 -98.04 110.6 23.15 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.992 -0.549 . . . . 0.0 109.955 -179.621 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.582 HG13 ' HA ' ' A' ' 33' ' ' LEU . 11.7 m -127.78 173.4 13.13 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 CA-C-N 115.492 -0.777 . . . . 0.0 112.062 -173.801 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . 0.416 ' O ' ' HE3' ' A' ' 32' ' ' TRP . 15.1 ttm180 -129.29 129.07 44.42 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 114.905 -1.043 . . . . 0.0 109.323 175.519 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 55.2 t30 -104.02 179.2 4.34 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 109.046 -0.724 . . . . 0.0 109.046 177.339 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 27.2 p -65.26 -8.13 16.34 Favored 'General case' 0 CA--C 1.533 0.304 0 CA-C-O 121.313 0.578 . . . . 0.0 110.972 179.476 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' MET . . . . . 0.837 ' HA ' ' HE3' ' A' ' 47' ' ' MET . 2.4 tpt -76.86 12.22 1.43 Allowed 'General case' 0 CA--C 1.533 0.314 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.65 178.24 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 9.6 p30 50.66 21.72 0.96 Allowed 'General case' 0 N--CA 1.483 1.198 0 C-N-CA 124.317 1.047 . . . . 0.0 113.285 176.029 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.528 ' HG2' ' O ' ' A' ' 47' ' ' MET . 68.2 mmtt -113.81 169.59 8.88 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.011 178.509 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' THR . . . . . 0.509 ' HA ' HD23 ' A' ' 23' ' ' LEU . 5.0 m -136.57 152.17 50.19 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 109.814 -0.439 . . . . 0.0 109.814 176.001 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 178.7 -171.49 43.69 Favored Glycine 0 N--CA 1.445 -0.733 0 N-CA-C 111.469 -0.653 . . . . 0.0 111.469 -178.25 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 93.5 m-85 -105.39 125.09 50.59 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-O 120.926 0.393 . . . . 0.0 110.705 -179.162 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.459 ' CG1' ' HB3' ' A' ' 23' ' ' LEU . 27.6 m -109.16 147.87 36.83 Favored Pre-proline 0 C--N 1.321 -0.64 0 CA-C-O 121.111 0.481 . . . . 0.0 111.368 -179.468 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . 0.48 ' HG2' ' HB2' ' A' ' 57' ' ' TYR . 42.3 Cg_endo -66.08 122.57 10.13 Favored 'Trans proline' 0 C--O 1.237 0.453 0 C-N-CA 123.366 2.711 . . . . 0.0 112.264 179.218 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 10.9 m -64.63 -11.72 38.25 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.73 -0.668 . . . . 0.0 111.809 -177.47 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 69.8 m-20 -87.85 -11.62 47.28 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.524 -0.307 . . . . 0.0 110.85 -179.536 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . 0.48 ' HB2' ' HG2' ' A' ' 54' ' ' PRO . 45.5 m-85 -111.55 -16.53 13.26 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.82 0.343 . . . . 0.0 110.999 -179.511 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.564 HG11 HD11 ' A' ' 25' ' ' ILE . 33.3 m -118.31 155.38 20.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.267 -177.152 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.581 ' HG2' ' HB2' ' A' ' 12' ' ' LYS . 15.1 mm-40 . . . . . 0 C--N 1.326 -0.431 0 N-CA-C 109.114 -0.699 . . . . 0.0 109.114 179.221 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 71.7 t . . . . . 0 N--CA 1.446 -0.658 0 CA-C-O 121.396 0.617 . . . . 0.0 110.566 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.478 ' HB ' ' O ' ' A' ' 59' ' ' GLU . 8.2 m -107.84 176.46 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.31 -1.119 0 CA-C-N 114.591 -1.186 . . . . 0.0 109.169 179.146 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 10.7 p -139.4 144.35 29.12 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.059 0 N-CA-C 109.897 -0.408 . . . . 0.0 109.897 -178.887 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . 0.404 ' HB1' HD12 ' A' ' 25' ' ' ILE . . . -83.52 131.96 34.97 Favored 'General case' 0 C--N 1.314 -0.957 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.988 -179.669 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.549 ' HB2' ' HG3' ' A' ' 59' ' ' GLU . 39.0 ttpt -83.88 -38.76 20.72 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 109.759 -0.46 . . . . 0.0 109.759 178.733 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.508 ' CE2' ' HE3' ' A' ' 12' ' ' LYS . 70.6 m-85 -134.96 163.48 29.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.953 176.686 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -65.74 135.89 55.52 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.557 -0.747 . . . . 0.0 111.179 178.169 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . 0.621 ' HB3' ' CG1' ' A' ' 25' ' ' ILE . 12.3 t80 -136.78 111.45 8.7 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 121.116 0.484 . . . . 0.0 110.063 171.517 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 47.6 t -86.8 132.23 32.89 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 CA-C-N 115.761 -0.654 . . . . 0.0 109.834 177.412 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . 0.45 ' HB3' ' HB2' ' A' ' 22' ' ' GLU . . . -93.47 159.81 15.08 Favored 'General case' 0 C--N 1.318 -0.763 0 N-CA-C 108.894 -0.78 . . . . 0.0 108.894 -178.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 6.9 tt0 -65.62 -45.86 81.47 Favored 'General case' 0 C--N 1.32 -0.68 0 C-N-CA 120.225 -0.59 . . . . 0.0 110.513 -179.377 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 45.1 mt-30 -150.37 -178.69 6.67 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.7 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -66.35 -9.47 33.65 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-N 115.798 -0.637 . . . . 0.0 111.321 179.684 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.494 ' HG3' ' HG2' ' A' ' 22' ' ' GLU . 2.6 pt20 -68.53 -23.47 64.53 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.85 -0.613 . . . . 0.0 110.656 177.705 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.494 ' HG2' ' HG3' ' A' ' 21' ' ' GLN . 73.5 mm-40 -113.48 -177.39 3.12 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.703 -0.68 . . . . 0.0 109.251 179.684 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.737 ' HG ' HG21 ' A' ' 43' ' ' VAL . 0.7 OUTLIER -103.46 127.18 50.89 Favored 'General case' 0 N--CA 1.445 -0.718 0 N-CA-C 109.12 -0.696 . . . . 0.0 109.12 -178.497 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.7 p-10 -100.26 134.37 43.3 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 108.646 -0.872 . . . . 0.0 108.646 176.692 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.621 ' CG1' ' HB3' ' A' ' 15' ' ' TYR . 1.3 pt -131.22 150.18 34.14 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.788 0 CA-C-O 121.198 0.523 . . . . 0.0 110.741 -177.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.437 ' HB3' ' HB2' ' A' ' 29' ' ' GLU . 24.1 tptp -114.03 154.14 28.19 Favored 'General case' 0 C--N 1.316 -0.86 0 N-CA-C 108.681 -0.859 . . . . 0.0 108.681 -178.306 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 87.1 tttt -59.01 123.37 16.36 Favored 'General case' 0 N--CA 1.449 -0.523 0 C-N-CA 120.327 -0.549 . . . . 0.0 109.604 176.657 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 65.2 t30 72.8 26.57 2.32 Favored 'General case' 0 N--CA 1.471 0.584 0 O-C-N 124.196 0.935 . . . . 0.0 111.222 -177.919 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.437 ' HB2' ' HB3' ' A' ' 26' ' ' LYS . 6.2 tp10 -93.96 139.59 30.74 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 173.745 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.594 ' O ' HD13 ' A' ' 31' ' ' LEU . 3.7 ptm180 -91.22 135.7 33.6 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 179.759 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.594 HD13 ' O ' ' A' ' 30' ' ' ARG . 1.7 mm? -124.11 163.79 20.76 Favored 'General case' 0 C--N 1.316 -0.874 0 N-CA-C 109.018 -0.734 . . . . 0.0 109.018 178.571 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . 0.519 ' HB2' ' HB3' ' A' ' 44' ' ' ARG . 23.4 m-90 -102.43 122.81 45.04 Favored 'General case' 0 C--N 1.311 -1.1 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 175.265 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.562 ' HA ' HG11 ' A' ' 43' ' ' VAL . 33.4 tp -93.41 111.47 23.14 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-O 121.025 0.441 . . . . 0.0 110.81 -176.598 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -98.35 -44.9 6.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.883 -0.599 . . . . 0.0 109.989 -179.866 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . 0.558 ' HB3' ' HB3' ' A' ' 42' ' ' ARG . 14.8 t70 . . . . . 0 C--N 1.326 -0.426 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.33 -177.121 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' TRP . . . . . 0.576 ' HA ' ' O ' ' A' ' 53' ' ' VAL . 40.8 m95 . . . . . 0 N--CA 1.463 0.205 0 CA-C-O 121.65 0.738 . . . . 0.0 110.383 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 32.9 m0 -91.82 149.32 21.65 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.357 -0.838 . . . . 0.0 111.117 -171.894 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.558 ' HB3' ' HB3' ' A' ' 35' ' ' ASP . 32.1 ttt180 -92.56 108.7 20.17 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.533 -0.758 . . . . 0.0 109.854 178.697 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.737 HG21 ' HG ' ' A' ' 23' ' ' LEU . 8.3 m -125.45 162.18 28.72 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.885 -174.699 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . 0.519 ' HB3' ' HB2' ' A' ' 32' ' ' TRP . 46.9 ttp180 -111.87 125.25 53.83 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.049 -0.978 . . . . 0.0 109.376 175.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . 0.556 ' HB2' HD13 ' A' ' 23' ' ' LEU . 28.0 t-20 -85.39 172.95 10.65 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.238 -179.901 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 6.5 m -60.89 -27.51 68.21 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.845 179.449 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 14.5 tpt -81.17 8.15 9.5 Favored 'General case' 0 CA--C 1.534 0.356 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.649 179.004 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 30.6 m-80 69.42 16.3 8.27 Favored 'General case' 0 N--CA 1.471 0.609 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.414 175.409 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.406 ' O ' ' HA ' ' A' ' 44' ' ' ARG . 74.4 mmtt -80.85 167.25 20.13 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.084 -0.507 . . . . 0.0 109.957 176.366 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' THR . . . . . 0.445 ' HA ' HD23 ' A' ' 23' ' ' LEU . 4.0 m -142.9 153.4 43.08 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.624 0.25 . . . . 0.0 110.37 175.547 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . 0.412 ' O ' ' HA ' ' A' ' 42' ' ' ARG . . . 169.24 -170.22 42.42 Favored Glycine 0 N--CA 1.448 -0.524 0 N-CA-C 111.097 -0.801 . . . . 0.0 111.097 -178.883 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 56.8 m-85 -104.68 134.1 48.41 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.013 0.435 . . . . 0.0 111.082 -179.363 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.576 ' O ' ' HA ' ' A' ' 40' ' ' TRP . 22.0 m -121.25 146.85 45.6 Favored Pre-proline 0 C--N 1.323 -0.586 0 CA-C-N 115.494 -0.775 . . . . 0.0 111.278 -179.879 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . 0.597 ' HG2' ' HB2' ' A' ' 57' ' ' TYR . 37.0 Cg_endo -64.71 126.13 16.15 Favored 'Trans proline' 0 C--N 1.345 0.39 0 C-N-CA 123.138 2.559 . . . . 0.0 112.26 -179.609 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 12.2 m -65.53 -11.19 41.46 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.878 -0.601 . . . . 0.0 112.539 -174.57 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 14.0 m120 -93.22 -16.81 24.4 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.856 0.36 . . . . 0.0 111.284 -179.422 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . 0.597 ' HB2' ' HG2' ' A' ' 54' ' ' PRO . 71.9 m-85 -103.9 -20.67 13.82 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.965 0.412 . . . . 0.0 110.344 -179.214 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.596 HG12 HD11 ' A' ' 25' ' ' ILE . 31.5 m -109.51 156.18 10.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-N 116.002 -0.544 . . . . 0.0 109.836 176.312 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.549 ' HG3' ' HB2' ' A' ' 12' ' ' LYS . 17.3 mm-40 . . . . . 0 C--N 1.322 -0.604 0 CA-C-O 121.113 0.482 . . . . 0.0 111.988 -173.481 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.695 0 N-CA-C 112.09 -0.404 . . . . 0.0 112.09 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 35.2 t -165.75 144.86 6.22 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.753 0.311 . . . . 0.0 110.376 -177.518 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 62.4 mtm -126.49 87.62 2.7 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.175 0.512 . . . . 0.0 110.071 175.772 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -103.42 160.16 14.95 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.763 -0.653 . . . . 0.0 109.588 176.015 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 35.5 mm-40 -87.13 143.81 27.14 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.223 0.535 . . . . 0.0 111.219 -174.346 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.725 ' HG3' ' HE1' ' A' ' 32' ' ' TRP . 4.1 mm-40 -118.61 -170.33 1.88 Allowed 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.258 -0.883 . . . . 0.0 109.747 -176.728 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 4.2 p -76.96 84.02 0.79 Allowed 'Isoleucine or valine' 0 C--O 1.236 0.389 0 CA-C-O 122.369 1.08 . . . . 0.0 109.003 170.811 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.411 HG22 ' HB2' ' A' ' 6' ' ' GLU . 42.5 t -112.32 146.4 17.17 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 114.77 -1.104 . . . . 0.0 112.341 -169.072 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.453 HG12 HD23 ' A' ' 33' ' ' LEU . 15.8 m -119.52 -173.4 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.784 0 CA-C-N 114.778 -1.101 . . . . 0.0 109.304 175.225 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 11.0 p -140.45 144.89 26.7 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.75 0 C-N-CA 120.431 -0.508 . . . . 0.0 110.85 -178.497 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.423 ' HB3' ' O ' ' A' ' 26' ' ' LYS . . . -87.54 146.08 25.94 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-O 121.229 0.538 . . . . 0.0 111.124 179.185 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 12.4 mmmm -94.0 -44.98 7.8 Favored 'General case' 0 C--N 1.316 -0.869 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.232 179.694 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 87.2 m-85 -136.99 157.08 47.55 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.637 -179.028 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -60.81 131.06 49.49 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.133 178.733 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . 0.584 ' HB3' HG13 ' A' ' 25' ' ' ILE . 43.8 t80 -134.55 111.39 10.03 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 116.139 -0.482 . . . . 0.0 109.815 173.886 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 41.3 t -80.86 140.0 17.27 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 CA-C-N 115.762 -0.654 . . . . 0.0 109.594 178.551 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.485 ' HB1' ' HB2' ' A' ' 22' ' ' GLU . . . -92.37 153.5 19.14 Favored 'General case' 0 N--CA 1.444 -0.73 0 N-CA-C 109.149 -0.686 . . . . 0.0 109.149 -179.27 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 7.5 tt0 -66.72 -62.83 1.25 Allowed 'General case' 0 C--N 1.315 -0.897 0 N-CA-C 109.773 -0.454 . . . . 0.0 109.773 178.628 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . 0.782 ' HB2' ' HG2' ' A' ' 21' ' ' GLN . 78.5 mm-40 -131.24 176.88 7.91 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.543 -0.753 . . . . 0.0 109.135 171.935 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 -66.07 -3.43 5.45 Favored 'General case' 0 N--CA 1.468 0.448 0 CA-C-O 121.143 0.497 . . . . 0.0 111.4 175.852 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.782 ' HG2' ' HB2' ' A' ' 19' ' ' GLN . 14.0 pt20 -70.28 -21.88 62.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.448 0.642 . . . . 0.0 109.474 171.564 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.485 ' HB2' ' HB1' ' A' ' 17' ' ' ALA . 12.3 mm-40 -108.46 -179.24 3.82 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.005 -0.998 . . . . 0.0 108.796 179.457 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.658 ' HG ' HG22 ' A' ' 43' ' ' VAL . 0.8 OUTLIER -108.69 127.88 54.37 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 109.643 -0.503 . . . . 0.0 109.643 178.532 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -99.56 134.16 42.85 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 109.514 -0.551 . . . . 0.0 109.514 176.55 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.584 HG13 ' HB3' ' A' ' 15' ' ' TYR . 1.1 pp -130.98 152.94 38.41 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-O 121.068 0.461 . . . . 0.0 110.612 -177.293 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.423 ' O ' ' HB3' ' A' ' 11' ' ' ALA . 19.2 tptp -116.56 150.85 37.32 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 109.145 -0.687 . . . . 0.0 109.145 -176.017 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 62.4 tttm -56.24 129.67 41.23 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.758 0.313 . . . . 0.0 111.331 -179.239 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 6.3 m120 65.18 15.7 10.15 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 115.448 -0.797 . . . . 0.0 112.382 177.358 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -93.78 148.43 22.13 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 109.886 -0.413 . . . . 0.0 109.886 -179.073 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.523 ' O ' HD11 ' A' ' 31' ' ' LEU . 17.0 ptt-85 -88.22 132.66 34.27 Favored 'General case' 0 C--N 1.316 -0.87 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.863 -176.698 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.523 HD11 ' O ' ' A' ' 30' ' ' ARG . 1.5 mm? -120.11 165.45 14.72 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 109.904 -0.406 . . . . 0.0 109.904 177.505 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . 0.725 ' HE1' ' HG3' ' A' ' 6' ' ' GLU . 16.2 m-90 -102.63 124.47 48.24 Favored 'General case' 0 C--N 1.316 -0.887 0 N-CA-C 109.835 -0.432 . . . . 0.0 109.835 178.451 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.569 ' HA ' HG12 ' A' ' 43' ' ' VAL . 50.1 tp -100.56 127.2 47.01 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.092 0.472 . . . . 0.0 111.797 -172.355 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -108.3 -61.46 1.59 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.67 -0.695 . . . . 0.0 110.369 178.781 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . 0.604 ' HB2' ' HB3' ' A' ' 42' ' ' ARG . 2.7 m-20 -115.99 122.44 45.24 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.82 -179.127 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . 0.508 ' HB3' HD21 ' A' ' 33' ' ' LEU . 10.6 p-10 -124.08 28.63 6.71 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.878 -0.601 . . . . 0.0 109.756 178.887 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 20.5 t -98.32 3.94 48.67 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.927 -0.579 . . . . 0.0 112.469 -171.556 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 16.6 ptmt -141.11 -176.07 4.56 Favored 'General case' 0 C--N 1.326 -0.415 0 C-N-CA 120.349 -0.541 . . . . 0.0 111.277 -179.156 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 21.1 m -56.92 -53.91 52.58 Favored 'General case' 0 C--N 1.331 -0.224 0 O-C-N 123.746 0.654 . . . . 0.0 111.807 -176.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' TRP . . . . . 0.594 ' HB3' ' HB3' ' A' ' 52' ' ' PHE . 20.2 m95 -96.62 125.46 41.1 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.15 178.113 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 47.2 m0 -80.31 143.49 33.58 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.314 0.578 . . . . 0.0 111.647 -175.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.604 ' HB3' ' HB2' ' A' ' 35' ' ' ASP . 45.6 ttt180 -95.59 107.86 20.08 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 115.157 -0.928 . . . . 0.0 109.538 179.459 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.658 HG22 ' HG ' ' A' ' 23' ' ' LEU . 6.4 m -131.43 165.42 31.68 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 CA-C-O 121.435 0.636 . . . . 0.0 112.182 -174.912 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.56 ' HG3' ' O ' ' A' ' 49' ' ' LYS . 28.3 ttm180 -124.71 137.12 54.36 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 114.596 -1.183 . . . . 0.0 108.812 172.898 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 30.3 p30 -100.89 -174.11 2.54 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-O 120.971 0.415 . . . . 0.0 111.61 -178.809 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 6.8 m -67.23 -17.11 64.67 Favored 'General case' 0 CA--C 1.531 0.216 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.896 177.712 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 14.5 tpt -82.95 11.62 5.93 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.939 -0.573 . . . . 0.0 109.82 179.706 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 6.5 p30 48.71 28.77 1.95 Allowed 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 124.469 1.108 . . . . 0.0 112.594 178.105 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.56 ' O ' ' HG3' ' A' ' 44' ' ' ARG . 69.0 mmtt -107.28 166.5 10.59 Favored 'General case' 0 N--CA 1.448 -0.552 0 N-CA-C 109.264 -0.643 . . . . 0.0 109.264 173.755 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' THR . . . . . 0.45 ' HA ' HD22 ' A' ' 23' ' ' LEU . 3.7 m -137.68 152.6 49.46 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 120.92 0.39 . . . . 0.0 110.731 -176.572 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 174.34 -163.75 34.57 Favored Glycine 0 N--CA 1.444 -0.792 0 CA-C-N 115.75 -0.659 . . . . 0.0 111.527 -178.488 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.594 ' HB3' ' HB3' ' A' ' 40' ' ' TRP . 11.9 m-30 -105.9 143.44 34.03 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 120.806 0.336 . . . . 0.0 110.321 -179.727 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.485 ' CG2' HG22 ' A' ' 58' ' ' VAL . 16.1 m -128.13 150.52 74.1 Favored Pre-proline 0 C--N 1.322 -0.602 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.671 178.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . 0.459 ' O ' HG21 ' A' ' 58' ' ' VAL . 64.4 Cg_endo -73.51 130.3 14.76 Favored 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 123.46 2.773 . . . . 0.0 112.529 179.024 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 11.9 p -67.35 -11.84 58.67 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.905 -0.589 . . . . 0.0 112.186 -176.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 85.7 m-20 -80.36 -20.03 45.07 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.761 0.315 . . . . 0.0 111.024 178.283 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 92.0 m-85 -109.4 -17.04 13.88 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.147 -178.388 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.569 HG13 HD12 ' A' ' 25' ' ' ILE . 20.5 m -128.41 148.11 32.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-O 120.513 0.197 . . . . 0.0 111.028 -178.794 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 57.8 mt-10 -148.16 166.97 26.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.043 178.755 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . 0.414 ' HA ' HG11 ' A' ' 9' ' ' VAL . 68.9 mtt180 -73.62 153.37 40.2 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 175.313 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 22.6 pttp -68.54 143.61 54.86 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.359 177.186 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 11.3 t30 -90.06 -16.2 30.2 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 121.423 0.63 . . . . 0.0 109.561 178.709 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 28.8 p . . . . . 0 C--O 1.25 1.091 0 CA-C-N 115.366 -0.834 . . . . 0.0 110.213 177.475 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.697 0 N-CA-C 112.085 -0.406 . . . . 0.0 112.085 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 53.4 m -67.86 108.74 3.12 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.969 0.414 . . . . 0.0 110.437 177.134 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 26.5 mmt -113.49 124.67 52.94 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.223 -179.272 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -89.3 162.12 16.01 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.093 177.127 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 7.2 mp0 -81.63 91.22 6.38 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 121.231 0.539 . . . . 0.0 110.113 -179.589 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -70.01 146.37 51.1 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.512 -0.767 . . . . 0.0 110.435 179.003 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 12.0 m -73.35 118.9 19.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-O 121.376 0.608 . . . . 0.0 110.992 179.82 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 37.8 t -95.81 137.84 22.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-N 115.604 -0.725 . . . . 0.0 111.289 -178.099 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.473 ' HB ' ' O ' ' A' ' 59' ' ' GLU . 19.0 m -105.02 175.88 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 CA-C-N 115.091 -0.959 . . . . 0.0 109.317 176.829 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 12.3 p -135.47 154.71 35.63 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.928 0 N-CA-C 109.641 -0.503 . . . . 0.0 109.641 -178.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.408 ' HA ' ' HA ' ' A' ' 58' ' ' VAL . . . -100.36 146.79 26.55 Favored 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 112.184 0.438 . . . . 0.0 112.184 -177.107 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.607 ' HG2' ' HG2' ' A' ' 59' ' ' GLU . 62.8 mmtt -79.67 -55.71 4.82 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.911 176.192 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 83.8 m-85 -136.85 161.76 35.09 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.411 -0.359 . . . . 0.0 111.473 -175.091 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -50.75 129.53 23.11 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-N 115.398 -0.819 . . . . 0.0 112.569 176.739 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . 0.572 ' HB3' HG13 ' A' ' 25' ' ' ILE . 7.0 t80 -136.49 109.54 7.71 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 109.295 -0.631 . . . . 0.0 109.295 167.457 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 65.9 t -93.38 129.96 43.08 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.652 0 CA-C-N 115.777 -0.647 . . . . 0.0 109.923 -179.347 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -89.13 125.97 35.26 Favored 'General case' 0 C--N 1.316 -0.869 0 N-CA-C 109.407 -0.59 . . . . 0.0 109.407 179.786 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -64.7 -26.85 68.55 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.226 0.536 . . . . 0.0 110.519 -178.327 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 25.7 mm-40 -134.42 143.93 47.87 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.796 -0.638 . . . . 0.0 109.482 175.784 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.42 ' OE2' ' HE3' ' A' ' 49' ' ' LYS . 47.7 mt-10 -70.53 -1.84 12.21 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 111.893 0.331 . . . . 0.0 111.893 -179.524 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 7.4 pt20 -62.92 -27.48 69.4 Favored 'General case' 0 CA--C 1.532 0.275 0 N-CA-C 109.15 -0.685 . . . . 0.0 109.15 172.639 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 73.3 mm-40 -101.47 -176.89 3.27 Favored 'General case' 0 N--CA 1.453 -0.279 0 CA-C-N 115.161 -0.927 . . . . 0.0 109.513 178.192 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.835 ' HG ' HG21 ' A' ' 43' ' ' VAL . 0.7 OUTLIER -103.15 128.34 50.12 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-O 121.286 0.565 . . . . 0.0 110.096 -176.959 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -96.89 127.1 42.53 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.57 -0.741 . . . . 0.0 110.266 179.545 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.572 HG13 ' HB3' ' A' ' 15' ' ' TYR . 1.0 OUTLIER -132.3 160.32 42.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 121.174 0.512 . . . . 0.0 111.315 -175.805 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.502 ' HB3' ' HB2' ' A' ' 29' ' ' GLU . 2.8 tppp? -128.54 160.29 32.81 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 109.444 -0.576 . . . . 0.0 109.444 -176.271 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.425 ' HG3' ' O ' ' A' ' 12' ' ' LYS . 83.8 tttt -55.8 124.81 18.76 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-N 117.819 0.281 . . . . 0.0 110.548 176.052 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 6.4 t30 66.43 22.51 10.71 Favored 'General case' 0 N--CA 1.466 0.367 0 CA-C-N 115.543 -0.753 . . . . 0.0 110.977 177.533 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.502 ' HB2' ' HB3' ' A' ' 26' ' ' LYS . 10.1 tp10 -88.96 144.9 25.85 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 109.821 -0.437 . . . . 0.0 109.821 177.43 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.609 ' O ' HD12 ' A' ' 31' ' ' LEU . 5.2 ptp85 -92.97 132.35 37.15 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 116.451 -0.34 . . . . 0.0 110.27 -177.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.609 HD12 ' O ' ' A' ' 30' ' ' ARG . 1.8 mm? -124.83 165.51 17.89 Favored 'General case' 0 C--N 1.322 -0.629 0 C-N-CA 120.755 -0.378 . . . . 0.0 110.205 178.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 19.6 m-90 -102.61 122.88 45.28 Favored 'General case' 0 C--N 1.319 -0.76 0 N-CA-C 109.758 -0.46 . . . . 0.0 109.758 176.766 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.547 HD23 ' HB3' ' A' ' 36' ' ' ASP . 35.7 tp -102.1 128.12 48.71 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.042 0.449 . . . . 0.0 111.644 -172.617 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.413 HD22 ' N ' ' A' ' 34' ' ' LEU . 1.9 mm? -109.9 -48.57 3.19 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.198 179.609 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . 0.58 ' OD1' ' HD3' ' A' ' 42' ' ' ARG . 7.3 m-20 -129.23 120.43 25.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.664 -177.888 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . 0.547 ' HB3' HD23 ' A' ' 33' ' ' LEU . 4.8 p-10 -134.34 31.76 3.44 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.012 0.434 . . . . 0.0 111.144 178.41 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 53.4 p -73.99 -24.14 59.56 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 112.183 0.438 . . . . 0.0 112.183 -176.163 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 87.2 tttt -159.96 126.8 4.43 Favored 'General case' 0 CA--C 1.53 0.179 0 N-CA-C 112.393 0.516 . . . . 0.0 112.393 -175.208 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 30.8 p 42.18 -93.17 0.02 OUTLIER 'General case' 0 N--CA 1.476 0.858 0 N-CA-C 114.425 1.269 . . . . 0.0 114.425 169.175 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 71.5 m95 -76.79 104.04 7.07 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.112 0.482 . . . . 0.0 110.39 -176.148 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . 0.52 ' CD1' ' HA ' ' A' ' 36' ' ' ASP . 50.6 m0 -80.72 142.37 33.92 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.457 -0.792 . . . . 0.0 111.499 -175.047 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.58 ' HD3' ' OD1' ' A' ' 35' ' ' ASP . 42.2 ttt180 -95.26 111.38 23.25 Favored 'General case' 0 C--N 1.317 -0.832 0 CA-C-N 114.952 -1.022 . . . . 0.0 109.675 -176.454 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.835 HG21 ' HG ' ' A' ' 23' ' ' LEU . 3.9 m -132.73 168.17 24.85 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-O 121.4 0.619 . . . . 0.0 112.502 -173.351 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 39.5 ttm180 -130.29 135.31 47.96 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 114.545 -1.207 . . . . 0.0 108.666 174.458 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . 0.564 ' HB3' HD12 ' A' ' 23' ' ' LEU . 33.1 p30 -98.3 179.26 4.79 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 121.037 0.446 . . . . 0.0 111.54 -178.785 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 18.4 m -69.76 -8.61 49.55 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.671 -0.695 . . . . 0.0 111.428 -178.204 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' MET . . . . . 0.914 ' HA ' ' HE1' ' A' ' 47' ' ' MET . 2.7 tpt -91.23 4.69 51.64 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.069 0.461 . . . . 0.0 109.88 177.292 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 32.9 m-80 72.02 8.39 5.95 Favored 'General case' 0 N--CA 1.468 0.426 0 CA-C-N 115.325 -0.852 . . . . 0.0 111.476 173.094 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.42 ' HE3' ' OE2' ' A' ' 20' ' ' GLU . 74.6 mmtt -83.98 160.08 21.11 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 108.593 -0.892 . . . . 0.0 108.593 174.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' THR . . . . . 0.48 ' HA ' HD22 ' A' ' 23' ' ' LEU . 3.4 m -135.65 152.46 51.23 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 110.041 -0.355 . . . . 0.0 110.041 -179.295 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 171.38 -165.48 38.49 Favored Glycine 0 N--CA 1.451 -0.309 0 N-CA-C 111.528 -0.629 . . . . 0.0 111.528 -178.501 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 99.8 m-85 -107.82 152.3 24.57 Favored 'General case' 0 N--CA 1.452 -0.356 0 CA-C-O 121.122 0.487 . . . . 0.0 110.578 -179.8 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.447 HG12 ' HB3' ' A' ' 23' ' ' LEU . 23.6 m -133.65 150.72 75.6 Favored Pre-proline 0 C--N 1.322 -0.609 0 CA-C-N 115.719 -0.673 . . . . 0.0 111.399 179.301 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 58.6 Cg_endo -71.32 123.86 9.92 Favored 'Trans proline' 0 N--CA 1.464 -0.26 0 C-N-CA 123.165 2.576 . . . . 0.0 111.856 176.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 9.3 p -60.94 -22.5 64.46 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.141 0.496 . . . . 0.0 111.464 -178.816 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 14.3 m120 -69.28 -22.14 63.84 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.511 -179.216 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 83.7 m-85 -113.26 -2.1 14.14 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 111.804 0.298 . . . . 0.0 111.804 -175.535 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.564 HG11 HD13 ' A' ' 25' ' ' ILE . 27.4 m -128.8 171.18 17.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-O 120.622 0.249 . . . . 0.0 111.21 -177.507 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.607 ' HG2' ' HG2' ' A' ' 12' ' ' LYS . 13.4 mm-40 -133.64 167.49 20.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.616 -179.892 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . 0.513 ' HG3' ' CZ3' ' A' ' 41' ' ' TRP . 45.5 mtm180 -110.03 -167.07 1.15 Allowed 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 112.961 0.726 . . . . 0.0 112.961 -176.704 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.462 ' HE2' HD21 ' A' ' 33' ' ' LEU . 0.8 OUTLIER -75.2 103.44 5.37 Favored 'General case' 0 N--CA 1.45 -0.43 0 CA-C-N 114.351 -1.295 . . . . 0.0 111.069 -177.02 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 3.9 p-10 -168.17 156.74 8.92 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.912 -0.585 . . . . 0.0 109.976 177.261 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 66.2 m . . . . . 0 C--O 1.251 1.146 0 CA-C-O 118.286 -0.864 . . . . 0.0 110.336 178.727 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.733 0 N-CA-C 111.687 -0.565 . . . . 0.0 111.687 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 33.5 t -91.13 123.34 34.51 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 120.839 0.352 . . . . 0.0 110.19 -179.86 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 26.5 ttt -143.55 116.95 9.07 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.341 177.17 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -78.62 178.2 8.01 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 116.085 -0.507 . . . . 0.0 109.969 175.39 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -79.82 74.88 6.53 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 121.535 0.683 . . . . 0.0 109.83 178.695 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 36.3 mt-10 -75.84 126.01 30.17 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 114.99 -1.005 . . . . 0.0 110.346 -178.013 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 18.8 m -77.54 154.69 5.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-O 121.331 0.586 . . . . 0.0 111.376 -177.201 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.512 ' CG1' ' HB2' ' A' ' 30' ' ' ARG . 48.7 t -107.59 136.5 42.65 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 CA-C-N 115.741 -0.663 . . . . 0.0 112.092 -172.927 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 12.7 m -107.94 -177.17 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.676 0 CA-C-N 114.707 -1.133 . . . . 0.0 108.866 174.435 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 13.7 p -140.9 147.84 22.29 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.662 0 O-C-N 121.954 -0.466 . . . . 0.0 110.608 -177.798 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.416 ' HB3' ' O ' ' A' ' 26' ' ' LYS . . . -89.36 145.92 25.03 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 120.887 0.375 . . . . 0.0 111.641 -178.025 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.675 ' HB2' ' HG3' ' A' ' 59' ' ' GLU . 16.7 tptm -90.03 -45.58 9.07 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.367 -178.757 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 79.3 m-85 -134.71 160.88 36.76 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.66 178.083 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 31.8 m-20 -63.09 131.3 48.09 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.733 -0.667 . . . . 0.0 111.699 179.66 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . 0.519 ' HB3' ' CG1' ' A' ' 25' ' ' ILE . 35.6 t80 -136.23 110.34 8.32 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.02 0.438 . . . . 0.0 110.107 170.835 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 39.9 t -96.17 127.96 47.8 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.772 0 N-CA-C 109.529 -0.545 . . . . 0.0 109.529 177.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.578 ' HB2' ' HG3' ' A' ' 22' ' ' GLU . . . -81.61 169.5 16.97 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 109.306 -0.627 . . . . 0.0 109.306 -177.639 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 10.1 mt-30 -90.24 -33.59 16.1 Favored 'General case' 0 C--N 1.316 -0.866 0 CA-C-O 121.161 0.505 . . . . 0.0 110.544 -177.389 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . 0.633 ' HB3' ' HG2' ' A' ' 21' ' ' GLN . 6.0 tp60 -140.13 158.92 43.28 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.434 -0.803 . . . . 0.0 109.274 -178.711 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -72.48 -3.61 25.43 Favored 'General case' 0 CA--C 1.535 0.394 0 C-N-CA 120.599 -0.44 . . . . 0.0 111.383 -179.061 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.633 ' HG2' ' HB3' ' A' ' 19' ' ' GLN . 13.3 pt20 -66.75 -25.69 66.62 Favored 'General case' 0 N--CA 1.463 0.187 0 CA-C-O 121.285 0.564 . . . . 0.0 109.835 174.751 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.578 ' HG3' ' HB2' ' A' ' 17' ' ' ALA . 1.2 pt-20 -108.64 179.61 4.14 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.041 -0.981 . . . . 0.0 108.956 176.419 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.539 HD22 ' HA ' ' A' ' 50' ' ' THR . 0.6 OUTLIER -104.92 128.75 53.29 Favored 'General case' 0 C--N 1.322 -0.623 0 C-N-CA 120.339 -0.544 . . . . 0.0 109.924 -173.944 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.3 p-10 -100.37 134.09 43.83 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 109.522 -0.547 . . . . 0.0 109.522 175.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.609 HD12 HG12 ' A' ' 58' ' ' VAL . 1.0 OUTLIER -129.16 163.11 35.13 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.742 0 CA-C-O 120.954 0.406 . . . . 0.0 110.561 -175.978 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.564 ' HB3' ' HB2' ' A' ' 29' ' ' GLU . 33.8 tptt -125.84 153.68 43.76 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 108.883 -0.784 . . . . 0.0 108.883 -178.179 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 79.0 tttt -59.27 129.49 42.32 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.592 0.234 . . . . 0.0 110.554 178.796 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 7.4 t30 67.71 14.45 9.5 Favored 'General case' 0 N--CA 1.467 0.408 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.984 177.548 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.564 ' HB2' ' HB3' ' A' ' 26' ' ' LYS . 9.2 tp10 -91.55 151.61 20.66 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 109.562 -0.532 . . . . 0.0 109.562 -179.789 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.607 ' O ' HD13 ' A' ' 31' ' ' LEU . 4.4 ptp180 -87.94 141.24 28.74 Favored 'General case' 0 C--N 1.314 -0.939 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.355 -177.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.607 HD13 ' O ' ' A' ' 30' ' ' ARG . 2.5 mm? -128.82 166.12 19.66 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 109.037 -0.727 . . . . 0.0 109.037 173.613 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . 0.414 ' HE3' ' O ' ' A' ' 44' ' ' ARG . 19.2 m-90 -104.52 115.92 31.19 Favored 'General case' 0 C--N 1.315 -0.932 0 N-CA-C 109.394 -0.595 . . . . 0.0 109.394 174.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.542 ' HA ' HG12 ' A' ' 43' ' ' VAL . 36.0 tp -92.55 115.81 28.44 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 120.963 0.411 . . . . 0.0 110.788 -175.219 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.404 ' HB2' ' HD2' ' A' ' 42' ' ' ARG . 1.6 mm? -93.0 -55.1 3.47 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.628 -0.715 . . . . 0.0 110.044 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -147.61 120.05 8.47 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.149 -179.177 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 12.2 p-10 -99.98 59.61 1.05 Allowed 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 122.069 0.938 . . . . 0.0 109.08 174.884 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 35.9 t -56.79 -38.91 73.19 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 114.473 -1.239 . . . . 0.0 112.221 -175.291 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.665 ' HG2' ' H ' ' A' ' 39' ' ' SER . 31.0 ttpt -147.99 -154.87 0.58 Allowed 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 108.961 -0.755 . . . . 0.0 108.961 -176.528 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' SER . . . . . 0.665 ' H ' ' HG2' ' A' ' 38' ' ' LYS . 25.4 m -66.09 -15.76 63.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.369 0.604 . . . . 0.0 110.24 174.737 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' TRP . . . . . 0.472 ' HB3' ' HB3' ' A' ' 52' ' ' PHE . 26.7 m0 -92.24 110.85 22.25 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.36 -0.836 . . . . 0.0 109.028 172.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . 0.48 ' CH2' ' HG3' ' A' ' 60' ' ' ARG . 35.0 m0 -95.63 124.96 39.9 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 120.636 0.255 . . . . 0.0 110.521 -179.334 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.413 ' HA ' ' O ' ' A' ' 51' ' ' GLY . 16.6 ttm180 -83.08 106.91 15.27 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 109.563 -0.532 . . . . 0.0 109.563 176.794 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.542 HG12 ' HA ' ' A' ' 33' ' ' LEU . 4.4 m -128.28 160.95 37.72 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.82 0 CA-C-N 115.821 -0.627 . . . . 0.0 111.438 -177.773 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.422 ' HG3' ' O ' ' A' ' 49' ' ' LYS . 44.4 ttm180 -125.12 131.2 53.31 Favored 'General case' 0 C--N 1.316 -0.891 0 CA-C-N 115.069 -0.969 . . . . 0.0 109.349 176.756 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . 0.515 ' HB2' HD12 ' A' ' 23' ' ' LEU . 19.1 t-20 -95.62 179.92 4.96 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 108.406 -0.961 . . . . 0.0 108.406 176.709 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 9.8 p -70.49 -7.62 44.93 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.069 0.461 . . . . 0.0 111.373 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' MET . . . . . 0.472 ' C ' ' H ' ' A' ' 49' ' ' LYS . 45.8 tpp -78.51 6.58 8.29 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.759 178.653 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 25.6 m-80 74.99 -20.72 0.32 Allowed 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 123.686 0.795 . . . . 0.0 111.279 177.382 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.472 ' H ' ' C ' ' A' ' 47' ' ' MET . 27.7 mmmt -72.99 162.34 29.62 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.991 -177.474 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' THR . . . . . 0.539 ' HA ' HD22 ' A' ' 23' ' ' LEU . 4.3 m -142.47 155.02 45.03 Favored 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 109.208 -0.664 . . . . 0.0 109.208 -178.329 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . 0.413 ' O ' ' HA ' ' A' ' 42' ' ' ARG . . . 179.32 -165.87 34.93 Favored Glycine 0 N--CA 1.443 -0.853 0 C-N-CA 120.77 -0.729 . . . . 0.0 111.729 179.872 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.472 ' HB3' ' HB3' ' A' ' 40' ' ' TRP . 97.3 m-85 -109.3 127.66 54.47 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 120.81 0.338 . . . . 0.0 110.201 179.894 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.425 HG13 ' HB3' ' A' ' 23' ' ' LEU . 30.1 m -113.48 155.43 44.77 Favored Pre-proline 0 C--N 1.319 -0.726 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.96 178.92 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . 0.491 ' O ' HG23 ' A' ' 58' ' ' VAL . 49.3 Cg_endo -69.16 127.82 15.64 Favored 'Trans proline' 0 C--O 1.233 0.245 0 C-N-CA 123.21 2.606 . . . . 0.0 112.76 178.715 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 45.2 t -67.33 -11.62 58.09 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.316 -179.852 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 11.2 t30 -80.08 -23.93 40.95 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.807 0.337 . . . . 0.0 111.1 178.574 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . 0.427 ' HB2' ' HG2' ' A' ' 54' ' ' PRO . 87.6 m-85 -107.33 -22.18 12.68 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 111.689 0.255 . . . . 0.0 111.689 -175.799 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.609 HG12 HD12 ' A' ' 25' ' ' ILE . 34.3 m -111.53 153.09 13.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 N-CA-C 110.309 -0.256 . . . . 0.0 110.309 177.565 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.675 ' HG3' ' HB2' ' A' ' 12' ' ' LYS . 27.7 mt-10 -136.24 166.21 23.94 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.308 0.575 . . . . 0.0 111.169 -179.048 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . 0.48 ' HG3' ' CH2' ' A' ' 41' ' ' TRP . 65.2 mtt85 -79.48 165.92 22.52 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.799 -0.637 . . . . 0.0 109.553 172.727 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 22.2 pttm -69.78 125.68 27.46 Favored 'General case' 0 C--N 1.324 -0.537 0 C-N-CA 120.734 -0.387 . . . . 0.0 110.501 -177.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 83.2 m-20 74.17 143.39 0.07 Allowed 'General case' 0 N--CA 1.465 0.315 0 CA-C-N 115.213 -0.903 . . . . 0.0 110.791 -176.848 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 19.6 m . . . . . 0 C--O 1.248 1.017 0 CA-C-O 118.539 -0.743 . . . . 0.0 109.99 178.278 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.769 0 N-CA-C 111.904 -0.478 . . . . 0.0 111.904 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 49.6 m -143.53 141.63 30.8 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 109.888 -0.412 . . . . 0.0 109.888 175.381 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 64.7 mtt -89.14 97.75 11.38 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 120.885 0.374 . . . . 0.0 110.478 -177.478 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -149.21 176.43 10.52 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.256 -179.826 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 30.7 tt0 -73.52 121.31 20.39 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.874 0.369 . . . . 0.0 110.541 -179.052 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -115.15 163.07 16.17 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.14 -0.482 . . . . 0.0 109.877 178.65 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 59.2 t -66.83 110.27 1.49 Allowed 'Isoleucine or valine' 0 C--O 1.237 0.403 0 CA-C-O 121.038 0.447 . . . . 0.0 111.199 -176.088 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.429 ' O ' ' HE3' ' A' ' 61' ' ' LYS . 64.2 t -110.91 139.29 35.4 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.436 0 CA-C-O 121.459 0.647 . . . . 0.0 111.639 -178.476 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.477 HG11 HD22 ' A' ' 33' ' ' LEU . 12.7 m -118.0 -171.22 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.803 0 CA-C-N 114.709 -1.132 . . . . 0.0 109.227 178.211 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 13.2 p -141.26 148.54 21.21 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.687 0 O-C-N 121.928 -0.482 . . . . 0.0 110.513 179.412 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.417 ' HB2' ' CD1' ' A' ' 25' ' ' ILE . . . -88.03 145.36 26.02 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.88 0.371 . . . . 0.0 111.586 -179.285 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.64 ' HB2' ' HG2' ' A' ' 59' ' ' GLU . 16.9 tptm -90.19 -47.38 7.83 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.085 -178.694 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 82.7 m-85 -138.85 157.87 45.25 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.625 178.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . 0.518 ' OD2' ' HD2' ' A' ' 26' ' ' LYS . 1.9 m-20 -51.31 129.96 25.89 Favored 'General case' 0 N--CA 1.465 0.314 0 N-CA-C 112.655 0.613 . . . . 0.0 112.655 176.541 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . 0.628 ' HB3' ' CG1' ' A' ' 25' ' ' ILE . 55.3 t80 -135.73 115.11 12.58 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.905 -0.588 . . . . 0.0 109.486 169.218 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 47.1 t -93.92 126.19 46.39 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.749 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.844 -176.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.517 ' HB2' ' HB2' ' A' ' 22' ' ' GLU . . . -84.23 150.93 25.13 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 108.512 -0.922 . . . . 0.0 108.512 174.137 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -90.04 -31.11 17.32 Favored 'General case' 0 C--N 1.319 -0.718 0 C-N-CA 120.525 -0.47 . . . . 0.0 110.433 -178.563 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . 0.458 ' HB2' ' HG2' ' A' ' 21' ' ' GLN . 0.0 OUTLIER -135.37 165.12 26.19 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.437 177.376 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.424 ' HB3' ' HD2' ' A' ' 49' ' ' LYS . 59.3 mt-10 -71.89 -3.25 21.35 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.514 178.735 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.458 ' HG2' ' HB2' ' A' ' 19' ' ' GLN . 11.2 pt20 -77.79 -11.7 59.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.788 0.804 . . . . 0.0 109.316 174.68 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.517 ' HB2' ' HB2' ' A' ' 17' ' ' ALA . 26.9 mt-10 -115.47 175.93 5.3 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 114.671 -1.15 . . . . 0.0 108.502 -179.436 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.924 ' HG ' HG22 ' A' ' 43' ' ' VAL . 0.6 OUTLIER -105.48 128.15 53.39 Favored 'General case' 0 C--N 1.319 -0.726 0 C-N-CA 120.25 -0.58 . . . . 0.0 109.897 -178.151 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -98.92 128.71 45.16 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 109.572 -0.529 . . . . 0.0 109.572 178.551 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.628 ' CG1' ' HB3' ' A' ' 15' ' ' TYR . 1.0 OUTLIER -131.57 151.09 34.88 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-O 121.523 0.678 . . . . 0.0 111.266 -178.411 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.558 ' HB3' ' HB2' ' A' ' 29' ' ' GLU . 49.4 tptt -117.02 149.84 39.61 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 115.311 -0.859 . . . . 0.0 108.718 -179.275 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 86.8 tttt -55.48 125.43 20.93 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 110.011 -0.366 . . . . 0.0 110.011 175.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 10.0 t30 75.19 12.9 3.27 Favored 'General case' 0 N--CA 1.473 0.691 0 O-C-N 124.03 0.831 . . . . 0.0 111.482 178.438 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.558 ' HB2' ' HB3' ' A' ' 26' ' ' LYS . 12.4 tp10 -89.68 144.12 26.25 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 109.568 -0.53 . . . . 0.0 109.568 -179.36 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.848 HH11 ' HG2' ' A' ' 30' ' ' ARG . 0.0 OUTLIER -87.59 138.87 31.09 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 109.509 -0.552 . . . . 0.0 109.509 179.72 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.475 HD11 ' O ' ' A' ' 30' ' ' ARG . 2.3 mm? -122.5 166.95 13.96 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 109.079 -0.711 . . . . 0.0 109.079 175.326 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . 0.427 ' HB2' ' HB3' ' A' ' 44' ' ' ARG . 11.7 m-90 -102.65 126.06 49.61 Favored 'General case' 0 C--N 1.316 -0.881 0 N-CA-C 109.127 -0.694 . . . . 0.0 109.127 175.352 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.55 ' HA ' HG13 ' A' ' 43' ' ' VAL . 46.7 tp -100.51 125.67 46.87 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-O 120.933 0.397 . . . . 0.0 112.037 -171.826 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -106.7 -36.01 6.84 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.728 178.8 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -152.36 135.91 16.07 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.622 0.249 . . . . 0.0 110.843 176.606 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . 0.531 ' HB3' HD23 ' A' ' 33' ' ' LEU . 8.9 p-10 -133.87 16.23 3.9 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.781 -179.492 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 79.3 p -82.73 -8.4 59.59 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.956 0.408 . . . . 0.0 111.111 -177.702 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.522 ' HG3' ' H ' ' A' ' 39' ' ' SER . 46.4 tptt -103.64 179.2 4.34 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 109.804 -0.443 . . . . 0.0 109.804 -178.915 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' SER . . . . . 0.522 ' H ' ' HG3' ' A' ' 38' ' ' LYS . 22.9 t -82.38 -24.97 34.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.653 0.739 . . . . 0.0 109.418 173.856 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -111.22 106.92 16.07 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 108.455 -0.943 . . . . 0.0 108.455 176.102 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . 0.496 ' O ' ' HA ' ' A' ' 52' ' ' PHE . 52.4 m0 -82.97 141.74 31.9 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 112.077 0.399 . . . . 0.0 112.077 -170.863 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 37.0 ttm-85 -91.16 115.69 28.22 Favored 'General case' 0 C--O 1.238 0.477 0 CA-C-N 116.226 -0.443 . . . . 0.0 109.9 174.622 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.924 HG22 ' HG ' ' A' ' 23' ' ' LEU . 5.7 m -133.26 166.76 28.31 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.745 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.392 -179.301 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.427 ' HB3' ' HB2' ' A' ' 32' ' ' TRP . 59.4 ttp180 -124.78 125.76 44.54 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.132 -0.94 . . . . 0.0 109.246 176.806 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . 0.472 ' H ' HD23 ' A' ' 23' ' ' LEU . 53.6 t30 -84.6 170.87 12.94 Favored 'General case' 0 C--N 1.318 -0.779 0 N-CA-C 110.102 -0.333 . . . . 0.0 110.102 -179.181 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 20.2 t -67.18 -20.39 65.72 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.106 0.479 . . . . 0.0 110.29 -178.537 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' MET . . . . . 0.824 ' HA ' ' HE2' ' A' ' 47' ' ' MET . 3.0 tpt -80.29 6.7 11.27 Favored 'General case' 0 CA--C 1.532 0.255 0 CA-C-O 121.113 0.482 . . . . 0.0 110.084 177.394 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 29.9 m-80 69.59 12.47 8.15 Favored 'General case' 0 N--CA 1.468 0.469 0 CA-C-N 115.645 -0.707 . . . . 0.0 111.628 174.277 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.424 ' HD2' ' HB3' ' A' ' 20' ' ' GLU . 71.7 mmtt -82.38 156.03 24.4 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 108.774 -0.825 . . . . 0.0 108.774 175.087 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' THR . . . . . 0.401 ' HA ' HD21 ' A' ' 23' ' ' LEU . 1.9 m -131.44 152.19 50.89 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 120.866 0.365 . . . . 0.0 110.745 179.124 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 172.39 -161.01 32.54 Favored Glycine 0 N--CA 1.446 -0.674 0 N-CA-C 111.33 -0.708 . . . . 0.0 111.33 -179.715 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.496 ' HA ' ' O ' ' A' ' 41' ' ' TRP . 93.8 m-85 -118.63 147.84 43.33 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 109.733 -0.469 . . . . 0.0 109.733 179.757 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.574 HG22 HG21 ' A' ' 58' ' ' VAL . 13.9 m -130.55 150.72 77.11 Favored Pre-proline 0 C--N 1.321 -0.666 0 CA-C-N 116.129 -0.487 . . . . 0.0 112.221 -176.772 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . 0.567 ' HG2' ' HB2' ' A' ' 57' ' ' TYR . 30.3 Cg_endo -63.97 122.23 10.19 Favored 'Trans proline' 0 C--N 1.345 0.371 0 C-N-CA 123.515 2.81 . . . . 0.0 112.468 177.788 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 46.7 t -63.77 -12.86 39.01 Favored 'General case' 0 CA--C 1.534 0.36 0 CA-C-N 116.113 -0.494 . . . . 0.0 112.262 -175.69 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -88.72 -21.97 23.59 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 122.22 -0.3 . . . . 0.0 111.522 179.022 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . 0.567 ' HB2' ' HG2' ' A' ' 54' ' ' PRO . 83.9 m-85 -102.38 -16.65 16.16 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.812 0.339 . . . . 0.0 111.046 -177.496 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.574 HG21 HG22 ' A' ' 53' ' ' VAL . 35.4 m -116.27 151.11 18.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-O 120.936 0.398 . . . . 0.0 110.548 177.785 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.64 ' HG2' ' HB2' ' A' ' 12' ' ' LYS . 5.8 mm-40 -125.47 167.13 15.43 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.716 -0.675 . . . . 0.0 109.619 -177.606 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . 0.444 ' HA ' ' CG1' ' A' ' 9' ' ' VAL . 16.0 mtm180 -92.25 -120.1 0.08 Allowed 'General case' 0 C--N 1.319 -0.735 0 N-CA-C 109.682 -0.488 . . . . 0.0 109.682 173.635 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.843 ' HA ' ' HE2' ' A' ' 61' ' ' LYS . 8.1 mmpt? -90.96 136.98 32.71 Favored 'General case' 0 C--N 1.315 -0.916 0 CA-C-O 120.723 0.296 . . . . 0.0 110.296 173.605 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 9.3 t30 -76.52 137.73 39.79 Favored 'General case' 0 C--N 1.327 -0.413 0 N-CA-C 109.768 -0.456 . . . . 0.0 109.768 178.022 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 8.5 t . . . . . 0 C--O 1.249 1.075 0 CA-C-O 118.621 -0.704 . . . . 0.0 109.469 179.344 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.605 0 N-CA-C 111.893 -0.483 . . . . 0.0 111.893 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 33.1 t -103.24 104.7 14.85 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 120.88 0.371 . . . . 0.0 110.02 -179.093 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 66.8 mtm -128.07 93.95 3.8 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.192 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -87.92 -70.87 0.6 Allowed 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.643 179.122 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 -160.05 98.72 1.33 Allowed 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 108.847 -0.798 . . . . 0.0 108.847 178.417 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 29.1 mm-40 -82.68 173.86 11.53 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.057 -0.519 . . . . 0.0 111.672 -171.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 60.9 t -74.94 104.33 3.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.15 179.583 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 54.6 t -99.82 134.66 38.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-O 121.705 0.764 . . . . 0.0 111.409 -178.659 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.556 ' HB ' ' O ' ' A' ' 59' ' ' GLU . 17.3 m -111.54 177.95 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.316 -0.869 0 CA-C-N 114.565 -1.198 . . . . 0.0 109.418 178.796 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.434 ' HA ' ' HA ' ' A' ' 30' ' ' ARG . 9.6 p -140.95 138.96 34.38 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.791 0 CA-C-O 121.1 0.476 . . . . 0.0 110.382 179.846 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.476 ' HA ' ' HA ' ' A' ' 58' ' ' VAL . . . -87.67 142.81 27.55 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.787 -178.551 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.485 ' O ' ' HG3' ' A' ' 27' ' ' LYS . 0.1 OUTLIER -89.08 -40.47 12.92 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.647 -179.481 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 66.4 m-85 -129.73 152.97 48.65 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.053 0.454 . . . . 0.0 111.655 -179.507 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . 0.425 ' OD1' ' HG3' ' A' ' 26' ' ' LYS . 12.6 m-20 -59.65 133.33 56.0 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.26 -0.882 . . . . 0.0 111.781 179.237 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . 0.596 ' HB3' ' CG1' ' A' ' 25' ' ' ILE . 42.7 t80 -135.76 111.77 9.58 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 109.655 -0.498 . . . . 0.0 109.655 172.106 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 57.3 t -82.02 133.01 30.11 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.378 -179.202 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.522 ' HB3' ' HB2' ' A' ' 22' ' ' GLU . . . -84.18 130.6 34.83 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 109.172 -0.677 . . . . 0.0 109.172 178.227 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 9.7 mt-30 -65.93 -44.98 83.51 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-O 120.883 0.373 . . . . 0.0 110.881 -177.896 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . 0.632 ' HB2' ' HG2' ' A' ' 21' ' ' GLN . 27.3 mm-40 -140.57 173.54 11.4 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 177.809 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -71.52 -3.17 19.77 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.784 0.326 . . . . 0.0 111.064 -179.808 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.632 ' HG2' ' HB2' ' A' ' 19' ' ' GLN . 13.0 pt20 -71.94 -24.84 61.68 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 121.484 0.659 . . . . 0.0 109.639 171.237 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.522 ' HB2' ' HB3' ' A' ' 17' ' ' ALA . 3.4 mm-40 -98.4 177.28 5.4 Favored 'General case' 0 N--CA 1.448 -0.565 0 CA-C-N 114.947 -1.024 . . . . 0.0 108.839 -178.051 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.789 ' HG ' HG22 ' A' ' 43' ' ' VAL . 1.3 tm? -108.55 128.54 54.91 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 108.501 -0.926 . . . . 0.0 108.501 175.671 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 3.5 p-10 -94.55 128.99 41.52 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.197 0.522 . . . . 0.0 110.13 -179.532 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.596 ' CG1' ' HB3' ' A' ' 15' ' ' TYR . 1.0 OUTLIER -132.66 171.99 17.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.482 -179.484 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.576 ' HB2' ' HZ2' ' A' ' 26' ' ' LYS . 0.0 OUTLIER -140.39 165.56 27.1 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 109.559 -0.534 . . . . 0.0 109.559 -175.606 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.485 ' HG3' ' O ' ' A' ' 12' ' ' LYS . 84.4 tttt -65.49 126.43 28.26 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 109.489 -0.56 . . . . 0.0 109.489 173.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 68.05 27.07 7.1 Favored 'General case' 0 N--CA 1.468 0.442 0 CA-C-O 121.358 0.599 . . . . 0.0 109.921 -179.582 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.522 ' HB2' ' HB3' ' A' ' 26' ' ' LYS . 4.8 tp10 -96.82 131.23 43.76 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 109.08 -0.711 . . . . 0.0 109.08 177.367 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.562 ' O ' HD12 ' A' ' 31' ' ' LEU . 15.4 ptt180 -92.14 130.66 37.81 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 120.976 0.417 . . . . 0.0 110.269 179.594 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.562 HD12 ' O ' ' A' ' 30' ' ' ARG . 1.3 mm? -122.14 165.75 15.63 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 116.011 -0.541 . . . . 0.0 109.705 -177.558 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 19.9 m-90 -99.66 121.2 40.88 Favored 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 109.871 -0.418 . . . . 0.0 109.871 178.483 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.567 ' HA ' HG12 ' A' ' 43' ' ' VAL . 44.8 tp -98.47 125.5 43.69 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.175 0.512 . . . . 0.0 111.502 -174.275 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -103.32 -52.69 2.96 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.219 179.498 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . 0.478 ' OD2' ' HD3' ' A' ' 42' ' ' ARG . 26.5 m-20 -131.8 130.35 41.69 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.804 -178.575 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . 0.548 ' HB3' HD23 ' A' ' 33' ' ' LEU . 13.2 p-10 -135.75 22.21 3.34 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.386 0.612 . . . . 0.0 109.829 177.762 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 43.7 t -72.87 -38.19 67.1 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.368 -0.833 . . . . 0.0 111.749 -174.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 37.4 ttpt -159.16 144.61 16.11 Favored 'General case' 0 C--N 1.326 -0.454 0 C-N-CA 121.079 -0.248 . . . . 0.0 111.188 -172.218 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 25.1 m 67.92 -162.07 0.21 Allowed 'General case' 0 C--O 1.234 0.287 0 O-C-N 123.764 0.665 . . . . 0.0 111.382 175.845 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' TRP . . . . . 0.417 ' CB ' ' HB3' ' A' ' 52' ' ' PHE . 11.0 m0 -54.6 141.29 32.17 Favored 'General case' 0 C--O 1.232 0.165 0 CA-C-N 115.901 -0.591 . . . . 0.0 109.89 175.074 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 45.4 m0 -74.69 139.55 43.57 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 121.295 0.569 . . . . 0.0 111.085 -175.003 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.478 ' HD3' ' OD2' ' A' ' 35' ' ' ASP . 33.3 ttt180 -97.86 108.31 20.99 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.308 -0.86 . . . . 0.0 109.93 -175.637 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.789 HG22 ' HG ' ' A' ' 23' ' ' LEU . 5.0 m -132.91 164.43 35.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-O 121.449 0.642 . . . . 0.0 112.441 -174.078 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.557 ' HG2' ' O ' ' A' ' 49' ' ' LYS . 0.3 OUTLIER -131.8 127.53 36.85 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 107.821 -1.177 . . . . 0.0 107.821 175.206 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . 0.681 ' HB3' HD13 ' A' ' 23' ' ' LEU . 39.7 p-10 -103.39 -175.62 2.85 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 121.082 0.468 . . . . 0.0 111.88 -170.326 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 5.4 p -71.41 -15.08 62.34 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-N 115.831 -0.622 . . . . 0.0 111.882 -178.167 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' MET . . . . . 0.408 ' HG3' ' HG2' ' A' ' 49' ' ' LYS . 16.9 tpt -78.56 -1.85 35.98 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.196 0.522 . . . . 0.0 109.803 176.525 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 25.6 m-80 70.08 21.17 6.17 Favored 'General case' 0 N--CA 1.463 0.18 0 CA-C-N 115.272 -0.876 . . . . 0.0 110.726 176.218 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.557 ' O ' ' HG2' ' A' ' 44' ' ' ARG . 75.3 mmtt -102.1 167.36 10.07 Favored 'General case' 0 N--CA 1.449 -0.504 0 N-CA-C 109.569 -0.53 . . . . 0.0 109.569 177.631 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' THR . . . . . 0.459 ' HA ' HD23 ' A' ' 23' ' ' LEU . 2.7 m -139.73 149.41 43.59 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 120.869 0.366 . . . . 0.0 110.74 178.051 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 175.68 -160.47 28.79 Favored Glycine 0 N--CA 1.446 -0.643 0 CA-C-N 115.636 -0.711 . . . . 0.0 111.342 -178.192 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.417 ' HB3' ' CB ' ' A' ' 40' ' ' TRP . 95.9 m-85 -114.75 142.26 46.76 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.797 0.332 . . . . 0.0 110.146 -179.413 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.509 HG12 ' HB3' ' A' ' 23' ' ' LEU . 15.7 m -125.71 150.24 67.85 Favored Pre-proline 0 C--N 1.321 -0.666 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.726 -178.739 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . 0.544 ' O ' HG23 ' A' ' 58' ' ' VAL . 54.5 Cg_endo -70.11 128.28 15.49 Favored 'Trans proline' 0 CA--C 1.53 0.288 0 C-N-CA 123.098 2.532 . . . . 0.0 112.598 177.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 12.6 p -68.07 -10.98 58.11 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.919 -0.582 . . . . 0.0 112.034 -176.687 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 95.1 m-20 -84.97 -19.03 32.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.734 0.302 . . . . 0.0 111.308 179.396 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . 0.436 ' HB2' ' HG2' ' A' ' 54' ' ' PRO . 50.8 m-85 -108.37 -27.67 9.84 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.527 -0.306 . . . . 0.0 110.61 -177.916 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.593 HG12 HD12 ' A' ' 25' ' ' ILE . 28.9 m -109.45 149.27 12.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 N-CA-C 109.794 -0.447 . . . . 0.0 109.794 176.753 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.556 ' O ' ' HB ' ' A' ' 9' ' ' VAL . 38.2 mt-10 -137.89 166.45 24.0 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 121.015 0.436 . . . . 0.0 111.025 -178.769 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . 0.422 HH11 ' HD2' ' A' ' 60' ' ' ARG . 14.1 mtp180 -75.03 -151.59 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.46 -0.791 . . . . 0.0 110.242 178.889 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.41 ' HE2' ' HB3' ' A' ' 61' ' ' LYS . 44.5 mtpt -72.86 83.88 1.22 Allowed 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.014 0.435 . . . . 0.0 110.756 -178.618 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 45.7 t30 -171.13 116.5 0.44 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.273 -0.876 . . . . 0.0 109.44 176.174 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 15.0 m . . . . . 0 C--O 1.248 1.022 0 CA-C-O 118.764 -0.636 . . . . 0.0 111.037 -176.223 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.726 0 N-CA-C 112.309 -0.316 . . . . 0.0 112.309 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.7 p -129.84 99.5 5.14 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.069 0.461 . . . . 0.0 109.967 176.002 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 1.5 mpt? -79.05 81.98 5.27 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.872 -176.725 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -158.28 140.99 14.6 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.626 -0.715 . . . . 0.0 110.003 178.287 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -120.93 144.68 48.32 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.775 0.321 . . . . 0.0 110.442 177.347 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.41 ' HB2' ' HD1' ' A' ' 32' ' ' TRP . 21.5 mt-10 -83.9 -171.59 3.68 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.624 -0.717 . . . . 0.0 110.263 177.705 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 12.4 m -76.23 110.54 11.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-O 121.453 0.644 . . . . 0.0 110.718 179.845 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 81.1 t -106.57 136.88 39.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-O 121.778 0.799 . . . . 0.0 112.109 -174.389 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.509 ' HB ' ' O ' ' A' ' 59' ' ' GLU . 5.8 m -116.39 178.04 1.97 Allowed 'Isoleucine or valine' 0 C--N 1.313 -1.017 0 CA-C-N 114.199 -1.364 . . . . 0.0 109.312 177.199 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 14.8 p -136.48 147.74 27.51 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.735 0 C-N-CA 120.72 -0.392 . . . . 0.0 110.312 -179.645 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -83.92 144.35 29.25 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 121.081 0.467 . . . . 0.0 111.919 -178.13 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 2.7 ttmm -88.85 -46.84 8.63 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.513 -0.767 . . . . 0.0 110.537 178.493 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.421 ' HB2' ' HD2' ' A' ' 57' ' ' TYR . 39.3 m-85 -138.27 157.08 46.98 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 109.484 -0.561 . . . . 0.0 109.484 174.76 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . 0.638 ' HB3' ' HD2' ' A' ' 26' ' ' LYS . 0.4 OUTLIER -69.02 138.53 54.56 Favored 'General case' 0 N--CA 1.446 -0.648 0 CA-C-O 121.85 0.834 . . . . 0.0 112.725 -177.368 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 9.7 t80 -137.11 111.31 8.42 Favored 'General case' 0 C--N 1.316 -0.863 0 CA-C-N 114.293 -1.321 . . . . 0.0 109.343 174.368 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 58.5 t -94.18 118.31 39.85 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.704 0 CA-C-O 121.096 0.474 . . . . 0.0 110.648 179.114 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -85.25 116.84 23.83 Favored 'General case' 0 N--CA 1.443 -0.781 0 N-CA-C 108.77 -0.826 . . . . 0.0 108.77 175.28 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 6.3 mt-30 -62.71 -30.93 71.78 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.444 0.64 . . . . 0.0 110.227 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . 0.439 ' HB3' ' HG2' ' A' ' 21' ' ' GLN . 7.3 mm100 -102.09 120.31 40.23 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.151 -0.931 . . . . 0.0 109.462 179.772 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 34.7 mt-10 -71.4 -7.58 48.21 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-O 120.742 0.306 . . . . 0.0 111.502 -177.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.439 ' HG2' ' HB3' ' A' ' 19' ' ' GLN . 4.1 pt20 -66.56 -20.27 65.98 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.188 0.518 . . . . 0.0 109.816 171.28 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 72.8 mm-40 -104.24 -177.13 3.28 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.183 -0.917 . . . . 0.0 109.172 175.249 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.707 HD23 ' H ' ' A' ' 45' ' ' ASN . 0.6 OUTLIER -104.17 127.39 51.78 Favored 'General case' 0 N--CA 1.444 -0.758 0 C-N-CA 120.027 -0.669 . . . . 0.0 110.407 -174.892 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -99.59 130.16 45.8 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.78 -0.646 . . . . 0.0 109.759 175.43 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.585 HD11 HG11 ' A' ' 58' ' ' VAL . 1.3 pt -127.37 159.71 37.4 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-O 121.048 0.452 . . . . 0.0 110.625 -177.747 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.638 ' HD2' ' HB3' ' A' ' 14' ' ' ASP . 25.3 tptp -126.22 152.64 45.79 Favored 'General case' 0 C--N 1.316 -0.858 0 N-CA-C 109.129 -0.693 . . . . 0.0 109.129 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.439 ' H ' ' HB3' ' A' ' 14' ' ' ASP . 78.7 tttt -56.16 127.43 30.66 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 110.274 -0.269 . . . . 0.0 110.274 177.918 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 69.57 23.29 5.97 Favored 'General case' 0 CA--C 1.535 0.375 0 O-C-N 123.954 0.784 . . . . 0.0 110.934 178.664 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 11.2 tp10 -99.23 147.1 25.49 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 109.252 -0.647 . . . . 0.0 109.252 176.853 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.586 ' O ' HD13 ' A' ' 31' ' ' LEU . 2.0 ptm180 -95.0 135.82 36.06 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-O 120.693 0.282 . . . . 0.0 110.281 -177.882 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.586 HD13 ' O ' ' A' ' 30' ' ' ARG . 1.6 mm? -123.97 167.97 13.44 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 109.337 -0.616 . . . . 0.0 109.337 179.229 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . 0.541 ' HB2' ' HB3' ' A' ' 44' ' ' ARG . 28.7 m-90 -105.4 125.01 50.5 Favored 'General case' 0 C--N 1.317 -0.841 0 N-CA-C 109.374 -0.602 . . . . 0.0 109.374 174.612 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.576 ' HA ' HG12 ' A' ' 43' ' ' VAL . 41.1 tp -97.18 116.39 29.29 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 121.02 0.438 . . . . 0.0 111.33 -173.554 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -102.34 -33.64 9.5 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.064 -178.287 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . 0.519 ' HB3' ' HB3' ' A' ' 42' ' ' ARG . 31.1 t70 -146.44 132.53 19.3 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.409 -0.36 . . . . 0.0 111.258 -174.282 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 8.2 p-10 -149.81 85.78 1.43 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 122.094 0.95 . . . . 0.0 109.617 177.479 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' SER . . . . . 0.436 ' O ' ' HG3' ' A' ' 38' ' ' LYS . 29.2 p -77.84 -49.48 14.19 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.832 -179.653 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.436 ' HG3' ' O ' ' A' ' 37' ' ' SER . 53.2 mtpt -160.43 -84.35 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.217 0.532 . . . . 0.0 110.134 179.682 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 19.6 m -107.38 142.26 37.48 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.382 -0.827 . . . . 0.0 109.565 179.481 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' TRP . . . . . 0.446 ' HA ' ' O ' ' A' ' 53' ' ' VAL . 76.5 m95 66.18 100.52 0.04 OUTLIER 'General case' 0 N--CA 1.468 0.436 0 CA-C-O 121.638 0.732 . . . . 0.0 110.876 -176.261 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 48.3 m0 -98.2 155.9 16.95 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.156 -176.375 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.519 ' HB3' ' HB3' ' A' ' 35' ' ' ASP . 33.5 ttt180 -103.16 112.92 26.01 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 109.701 -0.481 . . . . 0.0 109.701 179.579 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.581 HG23 ' HG ' ' A' ' 23' ' ' LEU . 10.9 m -128.27 164.93 28.79 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-O 121.61 0.719 . . . . 0.0 112.231 -173.627 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.541 ' HB3' ' HB2' ' A' ' 32' ' ' TRP . 23.5 ttm180 -114.79 128.78 56.5 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 114.692 -1.14 . . . . 0.0 108.807 174.799 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . 0.707 ' H ' HD23 ' A' ' 23' ' ' LEU . 50.6 t30 -90.89 169.66 10.73 Favored 'General case' 0 C--N 1.317 -0.845 0 N-CA-C 109.384 -0.598 . . . . 0.0 109.384 176.261 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 4.7 p -68.8 -7.71 36.69 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.61 -176.448 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 44.6 tpp -91.75 14.53 15.08 Favored 'General case' 0 CA--C 1.536 0.413 0 CA-C-O 121.197 0.522 . . . . 0.0 109.871 176.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 47.3 m-80 69.47 14.42 8.37 Favored 'General case' 0 N--CA 1.47 0.563 0 CA-C-N 115.42 -0.809 . . . . 0.0 112.674 169.676 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 47.4 mtmt -97.33 164.32 12.52 Favored 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 109.736 -0.468 . . . . 0.0 109.736 176.049 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 4.1 m -137.14 153.58 50.46 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 110.182 -0.303 . . . . 0.0 110.182 178.277 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 173.7 -172.44 45.25 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 121.224 -0.512 . . . . 0.0 112.044 -179.121 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 65.7 m-85 -100.02 139.73 35.26 Favored 'General case' 0 CA--C 1.516 -0.349 0 CA-C-O 121.191 0.52 . . . . 0.0 110.305 179.421 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.459 HG23 HG12 ' A' ' 58' ' ' VAL . 22.6 m -125.41 148.72 62.2 Favored Pre-proline 0 C--N 1.318 -0.801 0 CA-C-N 115.392 -0.822 . . . . 0.0 111.192 179.579 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . 0.415 ' O ' HG21 ' A' ' 58' ' ' VAL . 30.1 Cg_endo -62.65 118.76 5.65 Favored 'Trans proline' 0 N--CA 1.464 -0.257 0 C-N-CA 123.066 2.511 . . . . 0.0 111.968 178.509 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 1.9 p -65.65 -11.13 42.1 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.641 -178.614 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 14.6 m120 -76.12 -23.2 54.88 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.87 176.661 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . 0.421 ' HD2' ' HB2' ' A' ' 13' ' ' PHE . 90.1 m-85 -115.08 -10.23 12.23 Favored 'General case' 0 N--CA 1.452 -0.358 0 CA-C-N 116.356 -0.383 . . . . 0.0 111.776 -172.917 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.585 HG11 HD11 ' A' ' 25' ' ' ILE . 32.8 m -115.14 154.98 16.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-O 120.703 0.287 . . . . 0.0 110.801 -179.744 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.509 ' O ' ' HB ' ' A' ' 9' ' ' VAL . 8.6 mm-40 -132.64 165.42 24.48 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.929 -175.137 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . 0.465 ' HA ' HG12 ' A' ' 9' ' ' VAL . 87.6 mtt180 -83.43 -139.04 0.05 Allowed 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.912 -0.586 . . . . 0.0 109.423 172.189 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.44 ' H ' ' HB3' ' A' ' 60' ' ' ARG . 57.1 mttm -74.1 79.14 1.74 Allowed 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 109.568 -0.53 . . . . 0.0 109.568 172.94 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 22.8 t-20 -86.4 129.17 34.95 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.76 -0.655 . . . . 0.0 110.656 -176.267 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 40.4 m . . . . . 0 C--O 1.246 0.906 0 CA-C-O 118.577 -0.725 . . . . 0.0 109.896 178.346 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.721 0 N-CA-C 112.298 -0.321 . . . . 0.0 112.298 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.4 m -67.8 153.18 44.28 Favored 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 122.383 0.273 . . . . 0.0 110.701 179.822 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 69.3 mtm 56.41 68.38 0.87 Allowed 'General case' 0 N--CA 1.467 0.386 0 CA-C-O 121.421 0.629 . . . . 0.0 110.486 -176.723 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -126.12 166.97 16.04 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.603 -0.726 . . . . 0.0 111.0 -176.566 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 -112.65 39.28 2.53 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 121.903 0.859 . . . . 0.0 109.692 -177.732 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 12.9 mm-40 -81.33 109.08 15.5 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.297 -0.865 . . . . 0.0 110.919 -176.715 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 46.0 t -80.01 92.58 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-O 121.454 0.645 . . . . 0.0 109.771 175.82 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.58 ' O ' ' HD2' ' A' ' 61' ' ' LYS . 40.8 t -102.1 134.59 42.31 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-N 115.439 -0.801 . . . . 0.0 112.152 -173.911 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.643 ' HB ' ' O ' ' A' ' 59' ' ' GLU . 17.0 m -105.02 -174.93 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.706 0 CA-C-N 114.856 -1.066 . . . . 0.0 109.043 176.553 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 14.4 p -139.97 148.77 22.49 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 O-C-N 121.874 -0.516 . . . . 0.0 110.423 -178.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.556 ' HA ' ' HA ' ' A' ' 58' ' ' VAL . . . -94.56 145.69 24.64 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 121.257 0.551 . . . . 0.0 111.618 -178.199 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 4.6 tppp? -89.9 -48.99 6.87 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.527 -0.76 . . . . 0.0 110.461 -179.627 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 49.7 m-85 -129.48 155.64 45.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.112 0.482 . . . . 0.0 111.393 -176.746 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . 0.465 ' OD1' ' HG3' ' A' ' 26' ' ' LYS . 11.5 m-20 -61.64 133.57 55.77 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 114.924 -1.035 . . . . 0.0 111.268 178.531 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . 0.534 ' HB3' HG13 ' A' ' 25' ' ' ILE . 24.9 t80 -135.93 112.7 10.18 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.396 0.617 . . . . 0.0 110.482 175.074 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 48.0 t -84.86 129.14 38.21 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.155 178.888 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.524 ' HB2' ' HB2' ' A' ' 22' ' ' GLU . . . -91.3 177.91 6.11 Favored 'General case' 0 N--CA 1.449 -0.5 0 CA-C-N 116.196 -0.456 . . . . 0.0 109.839 -178.545 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 30.9 mt-30 -90.35 -58.52 2.47 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.08 0.467 . . . . 0.0 110.85 179.204 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 3.5 mm-40 -143.52 -174.75 4.32 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.192 -179.335 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 31.7 tt0 -65.12 -13.54 58.34 Favored 'General case' 0 CA--C 1.535 0.379 0 CA-C-O 121.425 0.631 . . . . 0.0 110.626 178.328 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.466 ' HG3' ' HG2' ' A' ' 22' ' ' GLU . 13.8 pt20 -68.19 -21.3 64.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.467 0.651 . . . . 0.0 110.072 174.173 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.524 ' HB2' ' HB2' ' A' ' 17' ' ' ALA . 6.4 mm-40 -108.94 -179.2 3.79 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.269 -0.878 . . . . 0.0 108.963 -179.23 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.805 HD11 ' HB3' ' A' ' 45' ' ' ASN . 0.9 OUTLIER -113.6 129.3 56.59 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 109.272 -0.64 . . . . 0.0 109.272 175.134 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 8.1 p-10 -101.21 130.92 47.41 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 120.974 0.416 . . . . 0.0 110.407 177.881 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.574 HD12 HG13 ' A' ' 58' ' ' VAL . 1.0 OUTLIER -131.71 165.69 31.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.217 -178.673 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.465 ' HG3' ' OD1' ' A' ' 14' ' ' ASP . 7.2 tptm -135.69 164.85 26.94 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 110.101 -0.333 . . . . 0.0 110.101 -177.703 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 79.7 tttt -60.67 125.99 25.77 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.636 0.255 . . . . 0.0 110.462 177.723 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 66.73 25.91 9.65 Favored 'General case' 0 N--CA 1.469 0.487 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.721 178.408 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 10.6 tp10 -94.31 145.96 24.37 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 109.076 -0.713 . . . . 0.0 109.076 176.18 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.647 ' O ' HD13 ' A' ' 31' ' ' LEU . 9.8 ptp180 -94.69 139.33 31.38 Favored 'General case' 0 C--N 1.32 -0.71 0 N-CA-C 109.376 -0.601 . . . . 0.0 109.376 -179.867 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.647 HD13 ' O ' ' A' ' 30' ' ' ARG . 2.0 mm? -127.85 163.82 23.57 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.884 0.374 . . . . 0.0 110.277 178.485 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . 0.571 ' HB2' ' HB3' ' A' ' 44' ' ' ARG . 6.8 m-90 -98.09 117.71 33.07 Favored 'General case' 0 C--N 1.317 -0.838 0 N-CA-C 109.341 -0.614 . . . . 0.0 109.341 176.297 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.516 ' HA ' HG13 ' A' ' 43' ' ' VAL . 25.5 tp -96.83 113.47 25.02 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.07 0.462 . . . . 0.0 111.049 -177.119 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -98.75 -58.58 1.92 Allowed 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.271 -179.397 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . 0.603 ' HB2' ' HB3' ' A' ' 42' ' ' ARG . 3.0 m-20 -108.09 137.98 45.14 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.611 -177.483 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 67.8 t0 -149.99 64.19 0.98 Allowed 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 108.485 -0.931 . . . . 0.0 108.485 177.321 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 17.4 p -114.54 -48.31 2.87 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.628 -0.715 . . . . 0.0 111.501 -179.035 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 59.9 tttp -174.24 151.94 1.73 Allowed 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 116.455 -0.339 . . . . 0.0 110.309 179.862 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 63.5 m 66.68 88.69 0.11 Allowed 'General case' 0 C--O 1.234 0.259 0 O-C-N 123.849 0.718 . . . . 0.0 111.624 176.648 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 4.6 m-90 60.79 -172.47 0.13 Allowed 'General case' 0 C--O 1.234 0.274 0 CA-C-N 115.022 -0.99 . . . . 0.0 110.921 179.273 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . 0.538 ' CE3' HG23 ' A' ' 58' ' ' VAL . 9.5 m0 -121.43 130.08 53.37 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.609 174.539 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.603 ' HB3' ' HB2' ' A' ' 35' ' ' ASP . 39.5 ttt180 -87.75 104.64 16.75 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.569 -0.742 . . . . 0.0 109.144 179.467 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.554 HG22 ' HG ' ' A' ' 23' ' ' LEU . 7.7 m -129.23 157.36 42.05 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 CA-C-N 115.788 -0.642 . . . . 0.0 112.288 -173.138 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.571 ' HB3' ' HB2' ' A' ' 32' ' ' TRP . 44.0 ttt180 -111.58 132.08 54.8 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 114.786 -1.097 . . . . 0.0 108.862 172.78 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . 0.805 ' HB3' HD11 ' A' ' 23' ' ' LEU . 40.0 p-10 -98.78 -174.57 2.82 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 120.969 0.414 . . . . 0.0 111.69 -175.83 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 21.7 m -65.84 -19.73 65.99 Favored 'General case' 0 CA--C 1.531 0.217 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.526 -179.261 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' MET . . . . . 0.785 ' HA ' ' HE1' ' A' ' 47' ' ' MET . 3.5 tpt -84.12 4.97 27.97 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-O 121.23 0.538 . . . . 0.0 109.801 176.363 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . 0.539 ' HA ' ' HE ' ' A' ' 44' ' ' ARG . 23.2 m-80 65.57 16.95 10.75 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-N 115.331 -0.849 . . . . 0.0 111.118 175.29 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.527 ' O ' ' HA ' ' A' ' 44' ' ' ARG . 46.2 mmtm -93.51 168.92 10.73 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 109.093 -0.706 . . . . 0.0 109.093 177.546 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' THR . . . . . 0.413 ' CA ' HD23 ' A' ' 23' ' ' LEU . 7.2 m -139.39 150.8 45.72 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 121.101 0.477 . . . . 0.0 111.014 -178.642 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 179.61 -166.52 35.85 Favored Glycine 0 N--CA 1.444 -0.767 0 CA-C-N 115.103 -0.953 . . . . 0.0 111.101 -178.302 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 91.9 m-85 -110.3 127.51 55.06 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 120.982 0.42 . . . . 0.0 111.09 -179.387 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.5 HG12 ' HB3' ' A' ' 23' ' ' LEU . 28.6 m -118.25 160.19 40.4 Favored Pre-proline 0 C--N 1.324 -0.502 0 CA-C-N 115.546 -0.752 . . . . 0.0 111.231 179.646 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . 0.635 ' HG2' ' HB2' ' A' ' 57' ' ' TYR . 41.4 Cg_endo -68.26 126.01 13.73 Favored 'Trans proline' 0 C--N 1.344 0.305 0 C-N-CA 122.85 2.367 . . . . 0.0 112.129 176.499 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 20.2 m -66.74 -9.29 35.05 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.882 -0.599 . . . . 0.0 112.047 -177.051 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 94.1 m-20 -90.0 -25.63 20.76 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.832 0.349 . . . . 0.0 111.34 178.726 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . 0.635 ' HB2' ' HG2' ' A' ' 54' ' ' PRO . 37.1 m-85 -94.59 -22.4 18.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.563 -0.289 . . . . 0.0 110.742 -177.539 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.574 HG13 HD12 ' A' ' 25' ' ' ILE . 33.4 m -116.73 148.23 19.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 N-CA-C 109.241 -0.652 . . . . 0.0 109.241 173.569 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.643 ' O ' ' HB ' ' A' ' 9' ' ' VAL . 49.2 mt-10 -137.13 166.57 23.4 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.119 0.485 . . . . 0.0 111.76 -175.673 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -78.4 -179.73 6.5 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.591 -0.731 . . . . 0.0 111.559 -179.697 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.58 ' HD2' ' O ' ' A' ' 8' ' ' VAL . 0.2 OUTLIER -100.63 112.97 25.44 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.458 -0.792 . . . . 0.0 108.932 172.532 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . 0.468 ' HB2' ' O ' ' A' ' 61' ' ' LYS . 12.0 m120 72.77 158.76 0.21 Allowed 'General case' 0 N--CA 1.471 0.582 0 O-C-N 123.61 0.569 . . . . 0.0 111.383 -175.397 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 5.3 p . . . . . 0 C--O 1.248 1.002 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.714 179.609 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.677 0 N-CA-C 112.154 -0.378 . . . . 0.0 112.154 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 30.1 p -84.96 134.11 34.25 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 110.143 -0.317 . . . . 0.0 110.143 177.332 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 2.1 mpt? -82.81 -66.3 0.91 Allowed 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.638 -0.256 . . . . 0.0 110.5 -178.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . 58.41 86.3 0.08 Allowed 'General case' 0 N--CA 1.465 0.314 0 O-C-N 123.753 0.658 . . . . 0.0 111.569 -179.689 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -100.28 101.19 12.13 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.175 178.596 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 63.8 mt-10 -73.64 143.3 46.35 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.919 -178.163 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 27.6 m -70.73 136.62 25.57 Favored 'Isoleucine or valine' 0 C--O 1.235 0.339 0 CA-C-N 115.892 -0.595 . . . . 0.0 111.676 -176.81 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 55.7 t -110.72 140.97 27.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-N 115.697 -0.683 . . . . 0.0 111.218 -178.286 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.441 HG21 ' HB2' ' A' ' 31' ' ' LEU . 7.4 m -116.31 -177.52 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.317 -0.835 0 CA-C-N 115.166 -0.924 . . . . 0.0 109.709 177.904 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 14.5 p -140.56 151.12 20.77 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 CA-C-O 120.843 0.354 . . . . 0.0 110.409 -177.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -92.81 141.62 28.24 Favored 'General case' 0 C--N 1.319 -0.731 0 N-CA-C 112.18 0.437 . . . . 0.0 112.18 -178.58 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.475 ' HB2' ' CG ' ' A' ' 59' ' ' GLU . 33.0 ttmt -79.19 -52.72 7.78 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.015 177.262 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 58.5 m-85 -133.31 163.95 28.18 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.432 -0.804 . . . . 0.0 109.67 177.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . 0.6 ' HB3' ' HD2' ' A' ' 26' ' ' LYS . 0.6 OUTLIER -68.79 141.93 55.05 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.564 0.697 . . . . 0.0 112.265 179.461 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . 0.583 ' HB3' ' CG1' ' A' ' 25' ' ' ILE . 11.9 t80 -137.43 111.36 8.29 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 114.634 -1.166 . . . . 0.0 109.82 176.258 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 43.8 t -86.49 133.79 28.96 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.814 0 CA-C-N 116.052 -0.522 . . . . 0.0 109.803 177.668 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -92.36 157.97 16.34 Favored 'General case' 0 N--CA 1.443 -0.782 0 N-CA-C 109.405 -0.591 . . . . 0.0 109.405 -175.794 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -63.18 -53.78 47.89 Favored 'General case' 0 C--N 1.316 -0.887 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.501 -178.393 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 48.6 mm-40 -147.44 -176.25 5.16 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.225 177.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.687 ' HG2' ' HD3' ' A' ' 49' ' ' LYS . 2.6 tm-20 -63.74 -16.62 61.6 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 123.163 0.585 . . . . 0.0 111.413 -177.2 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.538 ' HG3' ' HG2' ' A' ' 22' ' ' GLU . 14.4 pt20 -59.19 -30.08 67.94 Favored 'General case' 0 CA--C 1.536 0.416 0 CA-C-N 115.917 -0.583 . . . . 0.0 112.13 175.581 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.538 ' HG2' ' HG3' ' A' ' 21' ' ' GLN . 62.1 mm-40 -110.63 -177.1 3.14 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.535 -0.302 . . . . 0.0 110.432 -176.428 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.789 ' HG ' HG23 ' A' ' 43' ' ' VAL . 0.6 OUTLIER -103.7 128.29 51.07 Favored 'General case' 0 N--CA 1.451 -0.41 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 -177.187 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 7.8 p-10 -101.4 133.61 45.76 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 109.398 -0.593 . . . . 0.0 109.398 176.68 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.583 ' CG1' ' HB3' ' A' ' 15' ' ' TYR . 1.1 pt -130.9 158.24 43.22 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.679 0 C-N-CA 120.612 -0.435 . . . . 0.0 110.745 -177.48 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.6 ' HD2' ' HB3' ' A' ' 14' ' ' ASP . 59.5 tptt -125.18 152.75 44.09 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 109.106 -0.701 . . . . 0.0 109.106 -177.267 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.447 ' HG3' ' O ' ' A' ' 12' ' ' LYS . 60.3 tttm -57.29 130.46 46.31 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 110.329 -0.249 . . . . 0.0 110.329 178.422 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 17.3 t30 70.4 17.01 7.03 Favored 'General case' 0 CA--C 1.537 0.464 0 O-C-N 123.858 0.724 . . . . 0.0 110.761 177.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -96.96 149.36 21.98 Favored 'General case' 0 C--N 1.328 -0.365 0 O-C-N 121.609 -0.682 . . . . 0.0 110.228 179.561 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.646 ' O ' HD13 ' A' ' 31' ' ' LEU . 6.4 ptp180 -90.38 143.18 27.0 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.215 -177.038 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.646 HD13 ' O ' ' A' ' 30' ' ' ARG . 2.5 mm? -129.71 166.32 20.07 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 109.869 -0.419 . . . . 0.0 109.869 174.549 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 15.4 m-90 -104.77 121.44 43.63 Favored 'General case' 0 C--N 1.316 -0.864 0 N-CA-C 109.204 -0.665 . . . . 0.0 109.204 174.099 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.541 ' HA ' HG13 ' A' ' 43' ' ' VAL . 35.5 tp -96.62 118.11 32.4 Favored 'General case' 0 C--N 1.316 -0.853 0 CA-C-O 120.962 0.411 . . . . 0.0 110.998 -174.359 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -98.44 -46.91 5.59 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.925 -178.407 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 37.7 t70 -126.24 135.67 51.86 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.922 -177.559 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . 0.47 ' HA ' ' CD1' ' A' ' 41' ' ' TRP . 11.6 t0 -140.78 87.33 2.11 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 121.676 0.75 . . . . 0.0 109.657 -178.168 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 23.5 p -94.15 -47.18 6.77 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 114.842 -1.072 . . . . 0.0 110.303 173.698 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.501 ' HG2' ' H ' ' A' ' 39' ' ' SER . 79.3 tttt -176.46 -126.7 0.01 OUTLIER 'General case' 0 CA--C 1.532 0.27 0 CA-C-N 115.804 -0.634 . . . . 0.0 109.393 179.255 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' SER . . . . . 0.501 ' H ' ' HG2' ' A' ' 38' ' ' LYS . 0.5 OUTLIER -67.34 145.93 54.61 Favored 'General case' 0 C--N 1.325 -0.469 0 C-N-CA 122.014 0.126 . . . . 0.0 110.799 178.69 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' TRP . . . . . 0.435 ' HA ' ' O ' ' A' ' 53' ' ' VAL . 98.3 m95 66.31 93.08 0.07 Allowed 'General case' 0 N--CA 1.463 0.212 0 O-C-N 123.757 0.66 . . . . 0.0 111.264 -175.146 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . 0.487 ' CH2' ' HG3' ' A' ' 60' ' ' ARG . 12.7 m0 -94.97 151.51 19.12 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.35 -0.841 . . . . 0.0 110.884 179.737 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 52.8 ttt180 -101.68 108.43 19.96 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 109.082 -0.71 . . . . 0.0 109.082 173.839 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.789 HG23 ' HG ' ' A' ' 23' ' ' LEU . 6.1 m -122.83 163.47 21.49 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.676 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.996 -173.53 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 11.9 ttp180 -119.38 127.52 53.22 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 114.985 -1.007 . . . . 0.0 109.018 176.467 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . 0.733 ' HB3' HD13 ' A' ' 23' ' ' LEU . 37.6 p-10 -98.25 -177.73 3.81 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-O 120.696 0.284 . . . . 0.0 111.093 -177.648 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 2.4 p -71.02 -13.6 62.05 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.715 -178.002 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 16.1 tpt -80.35 0.93 30.91 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 109.577 -0.527 . . . . 0.0 109.577 175.038 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 23.7 m-80 69.87 15.93 7.82 Favored 'General case' 0 N--CA 1.469 0.517 0 CA-C-N 115.452 -0.795 . . . . 0.0 110.67 176.738 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.794 ' HE2' ' HA ' ' A' ' 49' ' ' LYS . 7.8 mmpt? -93.78 168.13 11.2 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.474 -0.784 . . . . 0.0 110.011 179.765 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' THR . . . . . 0.461 ' HA ' HD22 ' A' ' 23' ' ' LEU . 3.0 m -141.08 150.72 43.29 Favored 'General case' 0 C--N 1.317 -0.845 0 CA-C-O 120.894 0.378 . . . . 0.0 110.758 179.444 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 177.26 -173.1 45.95 Favored Glycine 0 N--CA 1.446 -0.699 0 CA-C-N 115.824 -0.625 . . . . 0.0 111.678 -178.083 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.466 ' HA ' ' O ' ' A' ' 41' ' ' TRP . 77.1 m-85 -103.45 133.22 48.86 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.043 0.449 . . . . 0.0 110.892 -179.148 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.435 ' O ' ' HA ' ' A' ' 40' ' ' TRP . 27.1 m -121.27 148.35 49.33 Favored Pre-proline 0 C--N 1.324 -0.534 0 CA-C-N 115.491 -0.777 . . . . 0.0 111.391 -179.561 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . 0.554 ' O ' HG21 ' A' ' 58' ' ' VAL . 59.5 Cg_endo -71.74 131.24 18.18 Favored 'Trans proline' 0 CA--C 1.529 0.227 0 C-N-CA 123.477 2.784 . . . . 0.0 113.077 -178.836 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 44.2 t -65.16 -20.37 66.42 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.305 0.574 . . . . 0.0 110.444 179.641 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . 0.41 HD21 ' C ' ' A' ' 56' ' ' ASN . 0.2 OUTLIER -65.34 -35.34 80.69 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.43 178.612 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . 0.419 ' HB2' ' HG2' ' A' ' 54' ' ' PRO . 73.0 m-85 -104.07 -18.66 14.46 Favored 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 112.21 0.448 . . . . 0.0 112.21 -172.053 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.582 HG13 HD13 ' A' ' 25' ' ' ILE . 32.9 m -110.34 157.75 10.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 C-N-CA 121.03 -0.268 . . . . 0.0 110.98 -179.324 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.475 ' CG ' ' HB2' ' A' ' 12' ' ' LYS . 5.9 mm-40 -137.06 162.42 33.41 Favored 'General case' 0 C--O 1.233 0.188 0 CA-C-O 121.32 0.581 . . . . 0.0 111.978 -174.137 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . 0.487 ' HG3' ' CH2' ' A' ' 41' ' ' TRP . 35.1 mtp180 -100.09 133.33 44.64 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.491 -0.777 . . . . 0.0 109.107 169.635 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.501 ' O ' ' HD3' ' A' ' 61' ' ' LYS . 0.0 OUTLIER -73.55 96.48 2.44 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.215 0.531 . . . . 0.0 111.242 -179.559 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 6.1 t30 -59.39 -39.34 83.06 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.809 -0.632 . . . . 0.0 109.418 176.663 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 19.4 p . . . . . 0 C--O 1.249 1.031 0 CA-C-N 115.307 -0.861 . . . . 0.0 109.644 172.612 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.57 0 N-CA-C 111.856 -0.498 . . . . 0.0 111.856 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 69.0 m -119.75 79.82 1.49 Allowed 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.141 0.496 . . . . 0.0 110.096 178.567 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 68.6 mtm -146.56 35.79 0.96 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.571 -0.74 . . . . 0.0 109.461 -179.501 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -78.46 143.75 36.4 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.734 -0.667 . . . . 0.0 111.176 -175.331 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -94.27 155.41 17.04 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.755 178.472 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 3.5 mp0 -76.84 162.23 27.8 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.054 -177.141 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 10.0 m -73.69 101.97 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-O 121.736 0.779 . . . . 0.0 111.627 -178.089 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 38.1 t -95.54 134.56 32.56 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.704 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.67 176.425 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.522 ' HB ' ' O ' ' A' ' 59' ' ' GLU . 14.0 m -106.84 177.58 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.798 0 CA-C-N 115.066 -0.97 . . . . 0.0 109.584 177.176 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 11.7 p -136.66 143.9 34.03 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.891 0 N-CA-C 109.348 -0.612 . . . . 0.0 109.348 -178.786 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.487 ' HB2' ' O ' ' A' ' 26' ' ' LYS . . . -83.84 142.7 30.43 Favored 'General case' 0 C--N 1.316 -0.876 0 CA-C-O 120.979 0.418 . . . . 0.0 111.821 -175.694 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.769 ' HB2' ' HG2' ' A' ' 59' ' ' GLU . 38.6 tttp -80.26 -50.29 10.42 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.093 -178.434 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 65.9 m-85 -134.86 161.05 36.32 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.809 -0.632 . . . . 0.0 111.014 -178.384 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 -64.29 119.66 10.72 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.303 -0.862 . . . . 0.0 111.865 -179.716 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 26.2 t80 -132.38 109.95 10.21 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.99 -0.55 . . . . 0.0 109.827 171.059 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 52.2 t -96.07 124.13 48.61 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.739 0 N-CA-C 109.622 -0.51 . . . . 0.0 109.622 178.059 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.532 ' HB1' ' HG3' ' A' ' 22' ' ' GLU . . . -82.74 139.47 33.6 Favored 'General case' 0 C--N 1.318 -0.783 0 N-CA-C 109.063 -0.718 . . . . 0.0 109.063 179.884 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 27.9 mt-30 -72.45 -47.05 52.02 Favored 'General case' 0 C--N 1.319 -0.758 0 C-N-CA 120.772 -0.371 . . . . 0.0 110.938 -175.804 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 12.0 mm100 -109.25 163.03 13.74 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.675 -175.378 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.426 ' HB3' ' HE3' ' A' ' 49' ' ' LYS . 0.9 OUTLIER -73.44 -17.55 61.23 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.525 -179.512 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 4.1 pt20 -73.21 -15.38 61.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.04 0.448 . . . . 0.0 111.11 -178.633 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.532 ' HG3' ' HB1' ' A' ' 17' ' ' ALA . 1.6 pt-20 -110.52 173.36 6.37 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.43 -0.804 . . . . 0.0 108.832 176.091 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.581 ' HG ' HG21 ' A' ' 43' ' ' VAL . 0.9 OUTLIER -104.36 128.84 52.26 Favored 'General case' 0 C--N 1.323 -0.555 0 C-N-CA 120.079 -0.648 . . . . 0.0 110.077 -172.017 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 2.6 p-10 -94.32 132.05 39.31 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.065 0.46 . . . . 0.0 109.914 178.207 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.593 HD11 HG11 ' A' ' 58' ' ' VAL . 1.0 OUTLIER -131.9 176.73 8.31 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.776 0 N-CA-C 109.888 -0.412 . . . . 0.0 109.888 179.468 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.487 ' O ' ' HB2' ' A' ' 11' ' ' ALA . 17.8 tptm -145.17 158.9 43.7 Favored 'General case' 0 C--N 1.318 -0.803 0 N-CA-C 108.512 -0.921 . . . . 0.0 108.512 179.668 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 62.5 tttm -62.13 130.92 47.71 Favored 'General case' 0 N--CA 1.45 -0.46 0 C-N-CA 120.398 -0.521 . . . . 0.0 110.081 179.313 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 2.8 t30 68.06 16.64 9.5 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.34 -0.845 . . . . 0.0 110.895 177.885 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.443 ' HB2' ' HB3' ' A' ' 26' ' ' LYS . 10.0 tp10 -92.52 147.06 23.2 Favored 'General case' 0 C--N 1.331 -0.208 0 N-CA-C 110.125 -0.324 . . . . 0.0 110.125 179.192 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.573 ' O ' HD13 ' A' ' 31' ' ' LEU . 8.0 ptt180 -90.93 132.48 35.92 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.477 -177.199 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.573 HD13 ' O ' ' A' ' 30' ' ' ARG . 1.8 mm? -125.47 166.91 15.78 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 109.256 -0.646 . . . . 0.0 109.256 177.082 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 20.5 m-90 -101.5 121.01 41.19 Favored 'General case' 0 C--N 1.319 -0.741 0 N-CA-C 109.776 -0.453 . . . . 0.0 109.776 174.825 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.561 ' HA ' HG11 ' A' ' 43' ' ' VAL . 30.5 tp -97.24 119.93 36.66 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 121.102 0.477 . . . . 0.0 110.994 -176.931 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -102.57 -35.94 8.54 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.873 -178.745 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . 0.472 ' OD2' ' HD3' ' A' ' 42' ' ' ARG . 23.0 m-20 -131.7 128.67 39.44 Favored 'General case' 0 CA--C 1.516 -0.336 0 N-CA-C 112.357 0.503 . . . . 0.0 112.357 -174.505 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 8.7 t0 -135.05 77.91 1.71 Allowed 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 108.437 -0.949 . . . . 0.0 108.437 171.544 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 6.7 p -114.17 -46.8 2.97 Favored 'General case' 0 C--N 1.316 -0.885 0 CA-C-N 115.216 -0.902 . . . . 0.0 111.436 -178.632 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 20.4 ptmt -171.79 171.73 5.11 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.089 -177.729 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 62.1 p 51.21 -123.79 2.16 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 123.576 0.751 . . . . 0.0 112.38 176.413 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 7.0 m0 -88.15 160.66 17.66 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.095 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . 0.596 ' HE3' HG23 ' A' ' 58' ' ' VAL . 16.3 m0 -97.63 132.18 43.52 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 120.875 0.369 . . . . 0.0 111.484 -178.692 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.472 ' HD3' ' OD2' ' A' ' 35' ' ' ASP . 59.1 ttt-85 -85.42 109.7 18.63 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.822 -0.626 . . . . 0.0 109.723 176.406 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.581 HG21 ' HG ' ' A' ' 23' ' ' LEU . 4.7 m -126.54 161.49 32.67 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.792 0 CA-C-N 115.359 -0.837 . . . . 0.0 111.411 -177.287 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 44.2 ttm180 -122.74 131.68 53.89 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-N 114.978 -1.01 . . . . 0.0 109.317 173.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . 0.568 ' HB2' HD11 ' A' ' 23' ' ' LEU . 54.2 t30 -96.23 174.55 6.84 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 115.998 -0.546 . . . . 0.0 109.554 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 36.2 m -66.65 -7.93 24.01 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.035 0.445 . . . . 0.0 111.207 -179.34 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' MET . . . . . 0.414 ' C ' ' H ' ' A' ' 49' ' ' LYS . 14.9 tpt -85.36 5.17 31.92 Favored 'General case' 0 CA--C 1.532 0.255 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.794 179.468 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 32.9 m-80 74.88 -17.06 0.51 Allowed 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 123.354 0.662 . . . . 0.0 111.881 175.718 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.426 ' HE3' ' HB3' ' A' ' 20' ' ' GLU . 75.5 mmtt -69.57 158.66 34.83 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 109.856 -0.424 . . . . 0.0 109.856 176.221 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' THR . . . . . 0.499 ' HA ' HD21 ' A' ' 23' ' ' LEU . 4.6 m -142.45 151.97 42.28 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 109.747 -0.464 . . . . 0.0 109.747 -179.386 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 176.55 -163.43 32.55 Favored Glycine 0 N--CA 1.444 -0.802 0 C-N-CA 120.814 -0.708 . . . . 0.0 111.945 -178.633 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 81.0 m-85 -108.56 135.34 49.98 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 120.876 0.369 . . . . 0.0 110.306 -179.109 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.459 HG12 ' HB3' ' A' ' 23' ' ' LEU . 24.0 m -120.82 151.6 54.87 Favored Pre-proline 0 C--N 1.321 -0.646 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.99 179.115 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . 0.492 ' HG2' ' HB2' ' A' ' 57' ' ' TYR . 19.4 Cg_endo -58.99 118.55 5.46 Favored 'Trans proline' 0 N--CA 1.463 -0.292 0 C-N-CA 122.92 2.413 . . . . 0.0 111.796 176.537 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 1.5 p -68.45 -10.91 58.51 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.842 -0.617 . . . . 0.0 112.29 -175.593 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 24.7 p-10 -93.95 -7.6 42.49 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.613 -0.267 . . . . 0.0 111.185 176.748 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . 0.492 ' HB2' ' HG2' ' A' ' 54' ' ' PRO . 51.2 m-85 -111.01 -11.44 14.31 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 120.857 0.36 . . . . 0.0 111.102 177.909 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.596 HG23 ' HE3' ' A' ' 41' ' ' TRP . 35.0 m -120.51 157.68 23.15 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.692 0 N-CA-C 109.325 -0.62 . . . . 0.0 109.325 175.602 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.769 ' HG2' ' HB2' ' A' ' 12' ' ' LYS . 6.5 mm-40 -131.56 154.56 48.7 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.434 0.635 . . . . 0.0 112.286 -174.318 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 30.5 mtp-105 -96.51 117.76 31.59 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 108.331 -0.989 . . . . 0.0 108.331 169.642 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.58 ' HZ3' ' HA ' ' A' ' 63' ' ' SER . 0.0 OUTLIER -71.34 141.42 50.43 Favored 'General case' 0 C--N 1.319 -0.76 0 N-CA-C 108.518 -0.919 . . . . 0.0 108.518 178.282 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 54.5 t30 -66.15 114.48 5.3 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 109.624 -0.51 . . . . 0.0 109.624 -178.079 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' SER . . . . . 0.58 ' HA ' ' HZ3' ' A' ' 61' ' ' LYS . 12.2 p . . . . . 0 C--O 1.247 0.963 0 CA-C-O 118.603 -0.713 . . . . 0.0 111.679 -174.015 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.709 0 N-CA-C 111.862 -0.495 . . . . 0.0 111.862 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 35.9 p -84.07 150.31 25.66 Favored 'General case' 0 N--CA 1.448 -0.552 0 N-CA-C 110.14 -0.319 . . . . 0.0 110.14 177.897 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 15.4 tpt -83.03 -71.17 0.51 Allowed 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 109.889 -0.411 . . . . 0.0 109.889 179.026 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -166.12 -64.45 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.781 179.05 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 9.7 mm-40 53.31 37.36 25.14 Favored 'General case' 0 CA--C 1.52 -0.197 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.787 -174.846 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -75.48 150.21 38.27 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 114.815 -1.084 . . . . 0.0 108.985 178.85 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 47.1 t -67.66 99.7 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-O 120.931 0.396 . . . . 0.0 110.961 -177.292 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 83.2 t -89.67 134.27 29.32 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.423 0 CA-C-O 121.765 0.793 . . . . 0.0 110.823 178.337 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.475 ' HB ' ' O ' ' A' ' 59' ' ' GLU . 9.7 m -116.86 177.96 2.07 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.169 0 CA-C-N 114.4 -1.273 . . . . 0.0 109.087 179.524 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 10.4 p -140.44 140.75 33.9 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.886 0 CA-C-O 121.308 0.575 . . . . 0.0 110.658 -178.446 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.5 ' HA ' ' HA ' ' A' ' 58' ' ' VAL . . . -92.07 145.92 24.14 Favored 'General case' 0 C--N 1.314 -0.956 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.075 178.595 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.457 ' O ' ' HG3' ' A' ' 27' ' ' LYS . 52.4 mttp -111.41 -12.87 13.97 Favored 'General case' 0 C--N 1.321 -0.647 0 C-N-CA 120.229 -0.589 . . . . 0.0 111.213 178.765 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 81.0 m-85 -134.28 145.51 49.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.307 0.575 . . . . 0.0 111.606 174.832 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 24.8 m-20 -61.25 130.75 47.75 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.027 -0.988 . . . . 0.0 112.575 -179.026 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . 0.573 ' HB3' ' CG1' ' A' ' 25' ' ' ILE . 54.3 t80 -136.04 111.95 9.54 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.993 -0.548 . . . . 0.0 109.769 168.725 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 46.0 t -94.99 131.11 42.7 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.712 0 N-CA-C 109.856 -0.424 . . . . 0.0 109.856 179.494 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.476 ' HB2' ' HB2' ' A' ' 22' ' ' GLU . . . -87.07 175.64 8.0 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.16 -0.473 . . . . 0.0 109.817 179.239 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 11.5 mt-30 -108.99 -56.94 2.21 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 120.986 0.422 . . . . 0.0 110.284 178.848 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . 0.689 ' HB2' ' HG2' ' A' ' 21' ' ' GLN . 12.1 mm100 -104.16 160.56 14.76 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.736 -0.665 . . . . 0.0 110.215 -179.345 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 50.5 mt-10 -71.59 -4.75 28.76 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-O 120.799 0.333 . . . . 0.0 111.653 179.033 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.689 ' HG2' ' HB2' ' A' ' 19' ' ' GLN . 11.2 pt20 -75.9 -20.9 57.67 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.377 0.608 . . . . 0.0 109.83 174.127 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.476 ' HB2' ' HB2' ' A' ' 17' ' ' ALA . 39.9 mt-10 -92.12 -179.52 5.29 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 114.956 -1.02 . . . . 0.0 109.524 179.21 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.814 ' HG ' HG23 ' A' ' 43' ' ' VAL . 0.8 OUTLIER -114.79 128.12 56.12 Favored 'General case' 0 N--CA 1.446 -0.651 0 N-CA-C 108.515 -0.92 . . . . 0.0 108.515 174.767 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -100.67 132.41 46.08 Favored 'General case' 0 C--N 1.322 -0.602 0 C-N-CA 120.099 -0.64 . . . . 0.0 109.526 178.264 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.573 ' CG1' ' HB3' ' A' ' 15' ' ' TYR . 1.1 pt -130.24 176.59 8.27 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.735 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.103 -177.483 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.496 ' HB3' ' HB2' ' A' ' 29' ' ' GLU . 20.9 tptp -145.0 158.69 43.73 Favored 'General case' 0 C--N 1.318 -0.788 0 N-CA-C 109.221 -0.659 . . . . 0.0 109.221 -176.504 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.457 ' HG3' ' O ' ' A' ' 12' ' ' LYS . 84.6 tttt -60.93 121.48 12.48 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 109.692 -0.485 . . . . 0.0 109.692 175.118 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 7.9 t30 70.26 35.07 2.17 Favored 'General case' 0 N--CA 1.471 0.614 0 CA-C-O 121.64 0.733 . . . . 0.0 110.598 -179.534 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.496 ' HB2' ' HB3' ' A' ' 26' ' ' LYS . 9.7 tp10 -109.8 147.89 32.45 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.155 175.563 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.658 ' O ' HD11 ' A' ' 31' ' ' LEU . 2.6 ptp180 -94.61 140.42 29.89 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.51 -176.288 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.658 HD11 ' O ' ' A' ' 30' ' ' ARG . 2.2 mm? -128.5 165.46 20.67 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 176.579 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . 0.433 ' HB2' ' HB3' ' A' ' 44' ' ' ARG . 11.9 m-90 -105.17 116.35 31.81 Favored 'General case' 0 C--N 1.316 -0.869 0 N-CA-C 109.356 -0.609 . . . . 0.0 109.356 177.122 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.543 ' HA ' HG11 ' A' ' 43' ' ' VAL . 33.3 tp -91.58 121.75 33.54 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-O 121.304 0.573 . . . . 0.0 111.718 -172.278 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.545 HD22 ' HD2' ' A' ' 42' ' ' ARG . 1.6 mm? -99.55 -54.97 2.79 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.421 -0.809 . . . . 0.0 110.173 178.023 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 12.9 m-20 -133.23 129.63 37.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.425 -178.216 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . 0.507 ' HB3' HD23 ' A' ' 33' ' ' LEU . 12.4 p-10 -131.7 27.7 4.63 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.072 179.61 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 11.8 m -55.89 -47.32 77.63 Favored 'General case' 0 CA--C 1.535 0.401 0 CA-C-N 115.367 -0.833 . . . . 0.0 112.225 -175.466 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 21.6 mtmm -136.03 -163.68 1.44 Allowed 'General case' 0 CA--C 1.518 -0.259 0 O-C-N 122.323 -0.235 . . . . 0.0 110.7 -178.783 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' SER . . . . . 0.404 ' O ' ' HB2' ' A' ' 40' ' ' TRP . 2.6 p -60.28 141.98 55.32 Favored 'General case' 0 N--CA 1.45 -0.461 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.791 177.573 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' TRP . . . . . 0.55 ' HA ' ' O ' ' A' ' 53' ' ' VAL . 77.6 m95 70.45 90.99 0.09 Allowed 'General case' 0 N--CA 1.462 0.16 0 O-C-N 124.047 0.842 . . . . 0.0 110.499 -176.317 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . 0.431 ' O ' ' HA ' ' A' ' 52' ' ' PHE . 51.3 m0 -82.94 151.47 25.9 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.213 -0.903 . . . . 0.0 110.501 -176.067 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.545 ' HD2' HD22 ' A' ' 34' ' ' LEU . 0.6 OUTLIER -96.02 110.81 22.98 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 109.344 -0.613 . . . . 0.0 109.344 177.47 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.814 HG23 ' HG ' ' A' ' 23' ' ' LEU . 4.3 m -127.69 157.32 39.65 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.567 -177.277 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.433 ' HB3' ' HB2' ' A' ' 32' ' ' TRP . 17.1 ttm-85 -110.45 137.23 48.43 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.098 -0.955 . . . . 0.0 109.008 173.085 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . 0.537 ' HB2' HD13 ' A' ' 23' ' ' LEU . 26.7 t-20 -98.1 170.9 8.59 Favored 'General case' 0 C--N 1.317 -0.841 0 N-CA-C 109.399 -0.593 . . . . 0.0 109.399 175.88 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 32.4 t -67.59 -14.56 63.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.159 0.504 . . . . 0.0 110.445 -179.786 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' MET . . . . . 0.451 ' O ' ' HD2' ' A' ' 49' ' ' LYS . 14.1 tpt -75.66 -0.14 19.64 Favored 'General case' 0 CA--C 1.532 0.26 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.641 177.854 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 31.7 m-80 77.09 4.69 3.29 Favored 'General case' 0 N--CA 1.469 0.498 0 C-N-CA 123.53 0.732 . . . . 0.0 112.074 174.832 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.451 ' HD2' ' O ' ' A' ' 47' ' ' MET . 1.4 mptp? -94.3 165.3 12.65 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.205 175.183 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' THR . . . . . 0.565 ' HA ' HD22 ' A' ' 23' ' ' LEU . 6.5 m -141.76 153.58 44.67 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.964 -0.562 . . . . 0.0 109.568 -177.023 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 178.77 -166.0 35.45 Favored Glycine 0 N--CA 1.446 -0.672 0 C-N-CA 120.816 -0.707 . . . . 0.0 111.919 -178.521 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.431 ' HA ' ' O ' ' A' ' 41' ' ' TRP . 99.1 m-85 -107.46 139.79 41.42 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 109.78 -0.452 . . . . 0.0 109.78 -179.921 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.55 ' O ' ' HA ' ' A' ' 40' ' ' TRP . 8.9 m -131.65 152.57 80.63 Favored Pre-proline 0 C--N 1.32 -0.713 0 CA-C-N 115.782 -0.644 . . . . 0.0 111.446 -178.148 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . 0.495 ' HG2' ' HB2' ' A' ' 57' ' ' TYR . 28.2 Cg_endo -63.19 127.49 20.29 Favored 'Trans proline' 0 C--O 1.234 0.318 0 C-N-CA 123.001 2.467 . . . . 0.0 112.338 176.867 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 5.7 m -69.41 -10.24 57.11 Favored 'General case' 0 CA--C 1.534 0.364 0 CA-C-N 115.793 -0.64 . . . . 0.0 112.347 -174.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 8.5 m120 -93.87 -5.79 47.21 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.84 0.352 . . . . 0.0 111.515 178.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . 0.495 ' HB2' ' HG2' ' A' ' 54' ' ' PRO . 42.1 m-85 -113.47 -33.36 5.92 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.968 0.413 . . . . 0.0 110.017 -178.327 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.555 HG11 HD11 ' A' ' 25' ' ' ILE . 25.0 m -108.4 143.19 19.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 N-CA-C 108.522 -0.918 . . . . 0.0 108.522 172.001 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.475 ' O ' ' HB ' ' A' ' 9' ' ' VAL . 47.8 mt-10 -142.56 162.21 36.07 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.56 0.695 . . . . 0.0 112.333 -175.32 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 13.9 mtp85 -85.2 175.18 9.11 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 114.768 -1.106 . . . . 0.0 110.592 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 2.9 mptm? -84.33 83.64 7.91 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 109.601 -0.518 . . . . 0.0 109.601 172.294 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 4.4 p-10 -75.87 167.83 21.15 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.725 -0.671 . . . . 0.0 110.456 -178.288 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 14.4 p . . . . . 0 C--O 1.25 1.101 0 CA-C-O 118.585 -0.722 . . . . 0.0 110.01 176.763 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.66 0 N-CA-C 112.106 -0.397 . . . . 0.0 112.106 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 43.0 t -152.25 -59.92 0.15 Allowed 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 110.048 -0.353 . . . . 0.0 110.048 177.172 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 1.9 mpt? 62.84 93.18 0.05 Allowed 'General case' 0 N--CA 1.464 0.258 0 O-C-N 123.726 0.641 . . . . 0.0 110.954 -178.85 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -97.71 156.02 16.74 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.896 178.224 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -79.44 97.44 6.39 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.112 -0.494 . . . . 0.0 109.82 179.028 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 35.4 mt-10 -101.07 120.53 40.34 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 109.345 -0.613 . . . . 0.0 109.345 176.335 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 17.6 m -65.02 124.01 19.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-O 121.655 0.741 . . . . 0.0 112.193 -173.871 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 24.1 t -90.1 136.63 23.34 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.7 0 CA-C-O 121.789 0.805 . . . . 0.0 110.965 177.205 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.761 ' HB ' ' HA ' ' A' ' 60' ' ' ARG . 32.0 m -112.66 179.21 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.311 -1.089 0 CA-C-N 114.572 -1.195 . . . . 0.0 108.421 177.51 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.509 ' O ' ' HB2' ' A' ' 59' ' ' GLU . 8.2 p -136.7 138.93 45.76 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.852 0 O-C-N 121.894 -0.504 . . . . 0.0 110.021 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.544 ' HB1' ' O ' ' A' ' 26' ' ' LYS . . . -78.85 146.07 33.86 Favored 'General case' 0 C--N 1.315 -0.902 0 CA-C-O 121.458 0.647 . . . . 0.0 112.217 -175.64 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.637 ' HB2' ' HG2' ' A' ' 59' ' ' GLU . 80.8 tttt -84.49 -51.76 6.66 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 114.993 -1.003 . . . . 0.0 110.173 -175.879 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 74.2 m-85 -138.48 161.17 37.7 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.096 179.523 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . 0.411 ' OD1' ' HG3' ' A' ' 26' ' ' LYS . 24.9 m-20 -61.18 125.13 22.64 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.706 179.209 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . 0.555 ' HB3' HG13 ' A' ' 25' ' ' ILE . 33.7 t80 -129.5 111.43 12.75 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.018 -0.537 . . . . 0.0 109.923 173.814 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 46.3 t -84.66 131.48 33.93 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.658 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.115 179.051 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.49 ' HB3' ' HB2' ' A' ' 22' ' ' GLU . . . -92.04 175.21 6.95 Favored 'General case' 0 N--CA 1.448 -0.55 0 CA-C-N 116.009 -0.541 . . . . 0.0 109.729 179.87 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 21.8 mt-30 -82.54 -70.29 0.56 Allowed 'General case' 0 C--N 1.314 -0.945 0 C-N-CA 120.209 -0.597 . . . . 0.0 109.671 177.356 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . 0.624 ' HB2' ' HG2' ' A' ' 21' ' ' GLN . 15.7 mm100 -128.05 -177.22 4.05 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.603 -0.726 . . . . 0.0 109.673 -178.109 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.497 ' HB3' ' HD2' ' A' ' 49' ' ' LYS . 8.0 mp0 -70.8 -8.29 51.41 Favored 'General case' 0 C--N 1.329 -0.289 0 O-C-N 123.41 0.444 . . . . 0.0 111.352 -178.882 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.624 ' HG2' ' HB2' ' A' ' 19' ' ' GLN . 3.7 pt20 -73.2 -26.23 61.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.87 -0.605 . . . . 0.0 109.713 173.581 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.523 ' HG2' ' HG3' ' A' ' 21' ' ' GLN . 7.2 mm-40 -96.33 -179.33 4.6 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 107.786 -1.19 . . . . 0.0 107.786 177.578 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.851 ' HG ' HG23 ' A' ' 43' ' ' VAL . 0.6 OUTLIER -113.4 127.58 56.17 Favored 'General case' 0 C--N 1.32 -0.705 0 C-N-CA 119.707 -0.797 . . . . 0.0 109.149 176.012 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -102.95 125.5 49.73 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 109.522 -0.547 . . . . 0.0 109.522 179.292 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.575 HD11 HG12 ' A' ' 58' ' ' VAL . 1.5 pp -127.32 148.99 32.02 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-O 121.231 0.539 . . . . 0.0 110.734 -176.629 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.668 ' HZ1' ' HB2' ' A' ' 26' ' ' LYS . 0.0 OUTLIER -112.47 159.91 18.29 Favored 'General case' 0 C--N 1.313 -1.0 0 CA-C-O 120.988 0.423 . . . . 0.0 110.964 -178.882 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.433 ' HB3' ' HZ3' ' A' ' 27' ' ' LYS . 5.2 ttpm? -63.41 130.3 43.86 Favored 'General case' 0 C--N 1.312 -1.027 0 N-CA-C 109.446 -0.576 . . . . 0.0 109.446 174.132 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 12.5 t30 70.13 14.57 7.7 Favored 'General case' 0 N--CA 1.47 0.567 0 CA-C-O 121.535 0.683 . . . . 0.0 110.698 179.259 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.486 ' HB2' ' HB3' ' A' ' 26' ' ' LYS . 34.9 tt0 -92.76 137.29 32.49 Favored 'General case' 0 C--N 1.328 -0.363 0 O-C-N 121.897 -0.502 . . . . 0.0 109.694 -177.689 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.469 ' O ' HD11 ' A' ' 31' ' ' LEU . 2.3 ptp85 -87.42 125.05 34.04 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-O 120.845 0.355 . . . . 0.0 110.525 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.532 HD12 ' HA ' ' A' ' 45' ' ' ASN . 1.2 mm? -118.11 165.58 13.6 Favored 'General case' 0 C--N 1.318 -0.766 0 N-CA-C 109.814 -0.439 . . . . 0.0 109.814 179.063 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . 0.443 ' HE3' ' O ' ' A' ' 44' ' ' ARG . 22.0 m-90 -101.62 122.49 43.97 Favored 'General case' 0 C--N 1.317 -0.805 0 N-CA-C 109.807 -0.442 . . . . 0.0 109.807 178.046 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.565 ' HA ' HG13 ' A' ' 43' ' ' VAL . 36.5 tp -96.99 118.67 33.92 Favored 'General case' 0 C--N 1.321 -0.63 0 CA-C-O 120.911 0.386 . . . . 0.0 110.849 -175.231 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -101.15 -52.94 3.14 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.333 -178.643 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . 0.555 ' HB3' ' HB3' ' A' ' 42' ' ' ARG . 28.6 t70 -118.77 133.06 56.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.058 0.456 . . . . 0.0 111.848 -175.372 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 4.3 t0 -139.94 80.59 1.77 Allowed 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 114.856 -1.065 . . . . 0.0 108.222 174.795 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 19.5 p -114.69 -48.55 2.85 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.532 -0.758 . . . . 0.0 111.858 -177.641 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 13.3 mmmm -149.62 92.52 1.93 Allowed 'General case' 0 N--CA 1.466 0.339 0 N-CA-C 112.531 0.567 . . . . 0.0 112.531 -176.373 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 17.9 m 69.57 -73.23 0.09 Allowed 'General case' 0 N--CA 1.468 0.46 0 N-CA-C 113.191 0.811 . . . . 0.0 113.191 168.521 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -77.87 115.63 17.76 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 109.813 -0.44 . . . . 0.0 109.813 -176.16 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 16.5 m0 -86.67 137.91 32.08 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.004 -0.543 . . . . 0.0 112.195 -175.002 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.555 ' HB3' ' HB3' ' A' ' 35' ' ' ASP . 21.4 ttm180 -95.25 110.49 22.47 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.38 -0.827 . . . . 0.0 109.127 175.691 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.851 HG23 ' HG ' ' A' ' 23' ' ' LEU . 8.5 m -128.51 167.4 23.78 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.748 0 CA-C-O 121.408 0.623 . . . . 0.0 111.705 -175.183 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.443 ' O ' ' HE3' ' A' ' 32' ' ' TRP . 49.7 ttp180 -123.94 129.09 50.39 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 114.779 -1.101 . . . . 0.0 108.507 174.143 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . 0.532 ' HA ' HD12 ' A' ' 31' ' ' LEU . 32.4 p30 -91.74 -176.92 4.61 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 121.196 0.522 . . . . 0.0 111.562 -178.24 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 4.8 p -67.54 -15.32 63.6 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.399 -0.818 . . . . 0.0 111.707 -177.431 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 11.2 tpt -91.0 8.93 32.86 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.288 0.566 . . . . 0.0 110.066 178.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 28.8 m-80 62.45 30.97 17.32 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-N 115.462 -0.79 . . . . 0.0 111.243 173.592 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.497 ' HD2' ' HB3' ' A' ' 20' ' ' GLU . 24.2 mmtm -106.17 167.8 9.57 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 109.216 -0.661 . . . . 0.0 109.216 175.702 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' THR . . . . . 0.489 ' HA ' HD23 ' A' ' 23' ' ' LEU . 2.8 m -137.96 150.12 46.75 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.085 0.469 . . . . 0.0 111.285 -176.326 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 178.73 -157.45 21.06 Favored Glycine 0 N--CA 1.444 -0.822 0 N-CA-C 110.697 -0.961 . . . . 0.0 110.697 -178.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 96.9 m-85 -122.53 139.26 54.09 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 117.036 0.418 . . . . 0.0 110.499 -179.824 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.517 HG12 ' HB3' ' A' ' 23' ' ' LEU . 30.8 m -126.03 152.91 73.76 Favored Pre-proline 0 C--N 1.326 -0.418 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.995 -178.229 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . 0.553 ' O ' HG21 ' A' ' 58' ' ' VAL . 66.8 Cg_endo -71.88 124.93 10.55 Favored 'Trans proline' 0 CA--C 1.529 0.241 0 C-N-CA 123.323 2.682 . . . . 0.0 112.235 179.3 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 15.2 p -66.22 -11.52 50.47 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 112.496 0.554 . . . . 0.0 112.496 -175.221 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 64.5 t30 -86.31 -22.11 26.92 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.956 0.408 . . . . 0.0 110.685 179.37 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . 0.533 ' HB2' ' HG2' ' A' ' 54' ' ' PRO . 80.1 m-85 -105.09 -9.99 17.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.883 0.373 . . . . 0.0 111.0 -178.316 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.575 HG12 HD11 ' A' ' 25' ' ' ILE . 35.3 m -121.39 156.26 25.27 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.71 0 CA-C-O 120.894 0.378 . . . . 0.0 110.573 177.174 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.637 ' HG2' ' HB2' ' A' ' 12' ' ' LYS . 33.9 mm-40 -128.78 162.34 27.65 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 115.759 -0.655 . . . . 0.0 109.778 178.925 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . 0.761 ' HA ' ' HB ' ' A' ' 9' ' ' VAL . 12.7 ptt180 -106.47 173.18 6.43 Favored 'General case' 0 C--N 1.312 -1.037 0 N-CA-C 108.554 -0.906 . . . . 0.0 108.554 171.827 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.426 ' HB2' ' HE3' ' A' ' 61' ' ' LYS . 19.6 ptmt -58.25 118.63 5.71 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 109.717 -0.475 . . . . 0.0 109.717 179.207 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 8.5 m120 -70.33 106.76 3.48 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.511 0.672 . . . . 0.0 111.124 -175.071 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 57.3 m . . . . . 0 C--O 1.248 0.999 0 CA-C-N 114.936 -1.029 . . . . 0.0 109.145 177.279 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.692 0 N-CA-C 112.095 -0.402 . . . . 0.0 112.095 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 13.8 p 47.8 60.36 3.59 Favored 'General case' 0 C--O 1.235 0.325 0 C-N-CA 123.439 0.696 . . . . 0.0 112.066 179.827 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 27.4 ttt -111.06 -15.89 13.62 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.502 0.668 . . . . 0.0 109.451 177.594 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -96.17 -165.25 1.25 Allowed 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.386 -0.825 . . . . 0.0 109.869 176.158 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -108.71 91.86 3.82 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 121.473 0.654 . . . . 0.0 110.387 176.833 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -71.34 172.5 9.29 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.199 -0.909 . . . . 0.0 110.996 178.653 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 47.6 t -74.42 96.75 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.633 -178.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 87.7 t -87.09 135.37 25.38 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-O 121.34 0.591 . . . . 0.0 110.714 177.337 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.408 HG22 ' HB2' ' A' ' 31' ' ' LEU . 4.9 m -113.4 -175.16 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.313 -1.021 0 CA-C-N 114.839 -1.073 . . . . 0.0 109.536 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 10.0 p -140.6 160.26 24.49 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.852 0 N-CA-C 109.508 -0.552 . . . . 0.0 109.508 178.866 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.456 ' HB2' ' O ' ' A' ' 26' ' ' LYS . . . -101.92 146.03 28.41 Favored 'General case' 0 C--N 1.312 -1.047 0 CA-C-O 120.764 0.316 . . . . 0.0 111.415 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.484 ' O ' ' HG3' ' A' ' 27' ' ' LYS . 0.4 OUTLIER -92.43 -37.08 12.76 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.546 178.941 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 70.6 m-85 -138.59 151.61 47.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.654 0.264 . . . . 0.0 111.33 -179.133 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -52.02 126.04 17.26 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.67 -0.696 . . . . 0.0 111.383 170.314 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . 0.588 ' HB3' ' CG1' ' A' ' 25' ' ' ILE . 7.4 t80 -129.73 110.94 12.17 Favored 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 109.481 -0.562 . . . . 0.0 109.481 171.632 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 50.5 t -87.45 130.35 37.38 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.676 0 CA-C-N 115.524 -0.762 . . . . 0.0 109.823 178.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.442 ' HB1' ' HB2' ' A' ' 22' ' ' GLU . . . -91.78 145.29 24.69 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 115.766 -0.652 . . . . 0.0 109.317 -179.757 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 14.7 mt-30 -65.69 -46.95 77.12 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 120.874 0.368 . . . . 0.0 110.832 -176.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 11.5 mm100 -136.3 165.38 25.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.049 176.011 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 6.9 mp0 -70.85 -3.4 18.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.769 -174.838 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 13.9 pt20 -71.2 -17.29 62.53 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.536 0.684 . . . . 0.0 109.668 173.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.442 ' HB2' ' HB1' ' A' ' 17' ' ' ALA . 7.3 mm-40 -107.81 -178.78 3.71 Favored 'General case' 0 N--CA 1.448 -0.552 0 CA-C-N 114.88 -1.055 . . . . 0.0 108.962 178.155 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.799 HD13 ' HB3' ' A' ' 45' ' ' ASN . 0.6 OUTLIER -104.77 128.78 53.02 Favored 'General case' 0 C--N 1.321 -0.652 0 C-N-CA 120.351 -0.54 . . . . 0.0 109.891 -177.944 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -104.26 124.17 48.67 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 109.955 -0.387 . . . . 0.0 109.955 179.704 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.588 ' CG1' ' HB3' ' A' ' 15' ' ' TYR . 1.1 pt -126.84 169.15 18.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 121.372 0.606 . . . . 0.0 111.897 -174.807 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.521 ' HB3' ' HB2' ' A' ' 29' ' ' GLU . 54.5 tptt -133.63 151.03 51.59 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.348 -0.842 . . . . 0.0 109.24 -174.947 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.484 ' HG3' ' O ' ' A' ' 12' ' ' LYS . 84.8 tttt -58.72 128.25 36.28 Favored 'General case' 0 C--O 1.235 0.322 0 CA-C-N 117.984 0.356 . . . . 0.0 110.176 177.483 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 64.2 t30 68.58 20.34 8.39 Favored 'General case' 0 N--CA 1.469 0.488 0 CA-C-N 115.767 -0.651 . . . . 0.0 111.189 178.575 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.521 ' HB2' ' HB3' ' A' ' 26' ' ' LYS . 10.1 tp10 -93.6 148.5 22.04 Favored 'General case' 0 C--N 1.328 -0.357 0 O-C-N 121.887 -0.508 . . . . 0.0 109.638 174.808 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.612 ' O ' HD11 ' A' ' 31' ' ' LEU . 5.8 ptp180 -91.76 136.46 33.13 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.017 -177.167 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.612 HD11 ' O ' ' A' ' 30' ' ' ARG . 1.9 mm? -123.7 166.38 15.63 Favored 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 109.522 -0.547 . . . . 0.0 109.522 175.143 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . 0.403 ' HE3' ' O ' ' A' ' 44' ' ' ARG . 20.2 m-90 -107.59 117.68 34.74 Favored 'General case' 0 C--N 1.314 -0.961 0 N-CA-C 109.407 -0.59 . . . . 0.0 109.407 176.202 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.539 ' HA ' HG11 ' A' ' 43' ' ' VAL . 41.5 tp -92.57 114.46 27.02 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-O 120.979 0.419 . . . . 0.0 111.047 -173.642 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -99.64 -30.35 12.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.421 -179.726 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -157.93 140.69 14.8 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.749 -0.66 . . . . 0.0 110.356 -175.843 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . 0.433 ' HB3' HD13 ' A' ' 33' ' ' LEU . 17.7 p-10 -145.56 87.33 1.78 Allowed 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 122.144 0.973 . . . . 0.0 109.231 178.374 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 16.4 p -57.52 -48.21 79.89 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 114.743 -1.117 . . . . 0.0 111.46 -179.515 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.414 ' HB3' ' HE2' ' A' ' 38' ' ' LYS . 36.0 ttpt -179.5 -74.76 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.322 179.2 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 13.2 m -97.05 -31.1 12.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.552 -176.146 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 13.3 m95 -107.53 110.79 22.8 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.116 179.737 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . 0.476 ' CH2' ' HG3' ' A' ' 60' ' ' ARG . 24.1 m0 -95.94 146.65 24.43 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.652 -175.777 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 5.0 ttm180 -108.46 111.46 23.36 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.113 -0.494 . . . . 0.0 109.875 -179.606 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.718 HG22 ' HG ' ' A' ' 23' ' ' LEU . 5.8 m -133.47 157.73 42.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-O 121.573 0.701 . . . . 0.0 112.468 -174.674 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.403 ' O ' ' HE3' ' A' ' 32' ' ' TRP . 47.6 ttt-85 -108.74 136.45 48.28 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 114.785 -1.098 . . . . 0.0 108.29 170.328 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . 0.799 ' HB3' HD13 ' A' ' 23' ' ' LEU . 35.9 p-10 -107.69 177.42 4.83 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-O 120.792 0.329 . . . . 0.0 111.019 -178.488 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 8.7 m -66.78 -11.92 56.81 Favored 'General case' 0 CA--C 1.533 0.305 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.502 -178.372 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' MET . . . . . 0.472 ' HE3' HD22 ' A' ' 45' ' ' ASN . 41.3 ttp -93.19 20.81 6.52 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.177 0.513 . . . . 0.0 109.798 179.43 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 9.0 p30 49.8 26.26 1.84 Allowed 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 124.553 1.141 . . . . 0.0 113.369 174.748 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 32.2 mmtp -106.88 167.94 9.54 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 109.47 -0.567 . . . . 0.0 109.47 175.106 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' THR . . . . . 0.544 ' HA ' HD21 ' A' ' 23' ' ' LEU . 3.9 m -141.83 151.94 43.22 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 120.912 0.387 . . . . 0.0 110.522 179.598 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 176.07 -160.2 28.0 Favored Glycine 0 N--CA 1.445 -0.706 0 N-CA-C 111.201 -0.76 . . . . 0.0 111.201 -178.388 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.461 ' HA ' ' O ' ' A' ' 41' ' ' TRP . 94.6 m-85 -112.29 143.27 43.66 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 120.971 0.415 . . . . 0.0 110.672 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.488 HG11 ' HB3' ' A' ' 23' ' ' LEU . 15.8 m -128.31 151.65 76.76 Favored Pre-proline 0 C--N 1.322 -0.624 0 CA-C-N 115.494 -0.775 . . . . 0.0 111.761 -179.009 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . 0.71 ' HG2' ' HB2' ' A' ' 57' ' ' TYR . 42.9 Cg_endo -68.09 133.25 28.28 Favored 'Trans proline' 0 C--O 1.234 0.286 0 C-N-CA 123.607 2.872 . . . . 0.0 112.765 176.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 47.0 t -68.54 -11.48 59.97 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.566 -179.392 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 18.0 m120 -86.46 -24.7 25.53 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.788 0.328 . . . . 0.0 110.984 179.427 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . 0.71 ' HB2' ' HG2' ' A' ' 54' ' ' PRO . 41.6 m-85 -98.82 -25.63 14.57 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.501 -0.318 . . . . 0.0 111.036 -177.214 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.572 HG11 HD12 ' A' ' 25' ' ' ILE . 15.9 m -110.14 166.68 5.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 N-CA-C 109.583 -0.525 . . . . 0.0 109.583 177.498 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -154.7 161.21 41.64 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.278 0.561 . . . . 0.0 112.061 -177.618 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . 0.476 ' HG3' ' CH2' ' A' ' 41' ' ' TRP . 54.8 mtt180 -83.79 113.37 20.86 Favored 'General case' 0 CA--C 1.514 -0.44 0 N-CA-C 108.431 -0.952 . . . . 0.0 108.431 168.583 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.73 138.52 52.91 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 116.247 -0.433 . . . . 0.0 109.894 -179.898 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 52.4 m-80 -111.84 -40.49 4.26 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 120.887 0.375 . . . . 0.0 110.401 179.753 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 15.7 m . . . . . 0 C--O 1.247 0.936 0 CA-C-O 118.675 -0.679 . . . . 0.0 109.275 176.927 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.806 0 N-CA-C 112.343 -0.303 . . . . 0.0 112.343 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 21.0 p -175.2 -171.22 0.49 Allowed 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 108.702 -0.851 . . . . 0.0 108.702 179.734 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 11.9 tpt -63.83 98.71 0.21 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.017 0.436 . . . . 0.0 109.852 172.6 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -163.27 145.64 10.06 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.002 -179.792 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 50.3 mt-10 -103.2 107.19 17.91 Favored 'General case' 0 C--N 1.319 -0.725 0 N-CA-C 109.741 -0.466 . . . . 0.0 109.741 175.236 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 43.1 mm-40 -66.05 137.84 57.36 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 109.287 -0.634 . . . . 0.0 109.287 178.674 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 13.8 m -63.91 116.55 3.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-O 121.522 0.677 . . . . 0.0 111.679 -175.118 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 42.4 t -95.29 137.95 22.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-N 115.632 -0.713 . . . . 0.0 111.311 -178.233 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.698 ' HB ' ' O ' ' A' ' 59' ' ' GLU . 25.6 m -114.14 179.17 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.791 0 CA-C-N 114.787 -1.097 . . . . 0.0 108.9 177.054 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 11.9 p -140.63 145.85 25.06 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.797 0 N-CA-C 109.913 -0.403 . . . . 0.0 109.913 -178.72 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -87.41 145.84 26.12 Favored 'General case' 0 C--N 1.316 -0.864 0 CA-C-O 120.97 0.414 . . . . 0.0 111.957 -176.142 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.552 ' HD3' ' CD ' ' A' ' 59' ' ' GLU . 39.1 tptt -88.71 -43.9 10.97 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.798 -0.637 . . . . 0.0 109.956 -179.576 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.421 ' HB2' ' HD2' ' A' ' 57' ' ' TYR . 96.9 m-85 -135.85 164.73 27.26 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.683 -0.689 . . . . 0.0 110.182 179.909 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 13.1 m-20 -67.84 132.36 47.24 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.75 177.172 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . 0.535 ' HB3' ' CG1' ' A' ' 25' ' ' ILE . 10.3 t80 -135.81 111.6 9.42 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.096 0.474 . . . . 0.0 110.054 174.004 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 44.2 t -90.75 128.96 42.28 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 CA-C-N 115.905 -0.589 . . . . 0.0 109.815 178.874 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.525 ' HB3' ' HB2' ' A' ' 22' ' ' GLU . . . -81.32 137.78 35.74 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 109.516 -0.55 . . . . 0.0 109.516 -178.265 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 24.3 mt-30 -73.55 -29.72 62.61 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.254 0.549 . . . . 0.0 110.847 -177.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . 0.489 ' HB3' ' HG2' ' A' ' 21' ' ' GLN . 0.3 OUTLIER -139.09 156.38 47.21 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.605 -0.725 . . . . 0.0 109.526 174.975 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 -71.21 -3.2 18.97 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.904 0.383 . . . . 0.0 111.356 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.489 ' HG2' ' HB3' ' A' ' 19' ' ' GLN . 10.8 pt20 -70.72 -21.38 62.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.6 0.714 . . . . 0.0 109.295 172.699 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.525 ' HB2' ' HB3' ' A' ' 17' ' ' ALA . 6.6 mm-40 -101.44 -179.25 3.97 Favored 'General case' 0 N--CA 1.448 -0.537 0 CA-C-N 114.867 -1.06 . . . . 0.0 108.608 179.671 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.671 HD21 ' HA ' ' A' ' 50' ' ' THR . 0.6 OUTLIER -106.2 128.44 53.94 Favored 'General case' 0 C--N 1.32 -0.702 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 179.156 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -96.28 133.58 40.45 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 109.385 -0.598 . . . . 0.0 109.385 178.207 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.555 HD13 HG11 ' A' ' 58' ' ' VAL . 1.0 OUTLIER -134.11 160.14 41.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-O 121.234 0.54 . . . . 0.0 111.134 -177.376 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.529 ' HB3' ' HB2' ' A' ' 29' ' ' GLU . 4.5 tppp? -121.77 152.96 38.9 Favored 'General case' 0 C--N 1.32 -0.692 0 N-CA-C 108.8 -0.815 . . . . 0.0 108.8 -177.491 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 55.6 tttp -59.59 130.56 47.42 Favored 'General case' 0 C--N 1.326 -0.43 0 C-N-CA 120.896 -0.322 . . . . 0.0 110.411 178.589 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 4.8 t30 68.93 15.7 8.86 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.99 177.44 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.529 ' HB2' ' HB3' ' A' ' 26' ' ' LYS . 8.9 tp10 -94.26 152.31 18.78 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 122.019 -0.425 . . . . 0.0 110.243 -179.437 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.643 ' O ' HD12 ' A' ' 31' ' ' LEU . 6.3 ptp180 -91.15 140.9 29.38 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.421 -177.285 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.643 HD12 ' O ' ' A' ' 30' ' ' ARG . 2.2 mm? -127.45 168.64 14.61 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 109.223 -0.658 . . . . 0.0 109.223 175.018 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 20.3 m-90 -105.0 123.83 48.48 Favored 'General case' 0 C--N 1.315 -0.917 0 N-CA-C 109.566 -0.531 . . . . 0.0 109.566 174.779 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.541 ' HA ' HG12 ' A' ' 43' ' ' VAL . 37.5 tp -97.11 127.06 42.72 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 120.994 0.425 . . . . 0.0 111.282 -175.232 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -108.33 -39.31 5.49 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.362 179.455 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -155.87 134.77 11.97 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.464 -0.335 . . . . 0.0 110.457 -176.163 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 14.8 p-10 -113.34 74.41 0.86 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 122.526 1.155 . . . . 0.0 109.412 178.583 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' SER . . . . . 0.45 ' O ' ' HB3' ' A' ' 38' ' ' LYS . 1.4 p -65.91 5.09 0.53 Allowed 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 113.747 -1.57 . . . . 0.0 113.682 -179.193 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.45 ' HB3' ' O ' ' A' ' 37' ' ' SER . 38.1 ttpt 76.37 -62.6 0.42 Allowed 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 123.085 0.554 . . . . 0.0 111.15 179.47 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' SER . . . . . 0.467 ' O ' ' HB2' ' A' ' 40' ' ' TRP . 9.1 p -80.11 88.13 5.44 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 109.355 -0.609 . . . . 0.0 109.355 175.847 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' TRP . . . . . 0.631 ' HB3' ' HB3' ' A' ' 52' ' ' PHE . 38.4 m0 71.28 133.97 0.04 OUTLIER 'General case' 0 C--O 1.231 0.083 0 CA-C-N 115.024 -0.989 . . . . 0.0 110.352 -171.24 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 46.1 m0 -98.97 146.86 25.58 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.373 -179.771 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 13.9 ttm-85 -93.43 107.77 19.55 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.291 178.081 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.541 HG12 ' HA ' ' A' ' 33' ' ' LEU . 5.0 m -131.95 170.89 18.97 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-N 115.74 -0.663 . . . . 0.0 111.619 -178.542 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.496 ' HG3' ' O ' ' A' ' 49' ' ' LYS . 16.3 ttm180 -136.62 131.44 33.71 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.171 -0.922 . . . . 0.0 109.964 176.942 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . 0.536 ' HB2' HD13 ' A' ' 23' ' ' LEU . 21.1 t-20 -93.68 177.43 6.01 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 108.624 -0.88 . . . . 0.0 108.624 175.782 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 18.2 p -70.23 -7.76 44.72 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.999 0.428 . . . . 0.0 111.208 179.591 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 15.3 tpt -73.65 -2.56 23.62 Favored 'General case' 0 CA--C 1.532 0.277 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.717 178.878 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 28.6 m-80 74.04 -6.36 1.85 Allowed 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 123.489 0.715 . . . . 0.0 111.767 174.809 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.496 ' O ' ' HG3' ' A' ' 44' ' ' ARG . 31.1 mmtp -82.85 165.96 19.36 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 109.526 -0.546 . . . . 0.0 109.526 175.164 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' THR . . . . . 0.671 ' HA ' HD21 ' A' ' 23' ' ' LEU . 4.5 m -143.08 154.88 44.4 Favored 'General case' 0 C--N 1.32 -0.704 0 N-CA-C 109.336 -0.616 . . . . 0.0 109.336 -177.568 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 173.07 -147.54 9.75 Favored Glycine 0 N--CA 1.444 -0.831 0 C-N-CA 120.525 -0.845 . . . . 0.0 112.331 -178.578 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.631 ' HB3' ' HB3' ' A' ' 40' ' ' TRP . 76.9 m-85 -119.46 146.92 44.98 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 120.575 0.226 . . . . 0.0 110.888 -176.236 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.428 HG11 ' HB3' ' A' ' 23' ' ' LEU . 29.7 m -132.56 151.73 78.71 Favored Pre-proline 0 C--N 1.325 -0.468 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.112 177.426 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . 0.651 ' HG2' ' HB2' ' A' ' 57' ' ' TYR . 52.8 Cg_endo -69.25 123.08 9.9 Favored 'Trans proline' 0 C--N 1.345 0.394 0 C-N-CA 123.401 2.734 . . . . 0.0 112.444 177.443 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 6.2 p -64.78 -20.62 66.47 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 112.577 0.584 . . . . 0.0 112.577 -175.841 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 95.2 m-20 -84.46 -8.88 58.81 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.572 0.225 . . . . 0.0 111.248 -179.779 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . 0.651 ' HB2' ' HG2' ' A' ' 54' ' ' PRO . 69.5 m-85 -114.43 -4.78 12.89 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.772 0.32 . . . . 0.0 110.871 -178.349 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.555 HG11 HD13 ' A' ' 25' ' ' ILE . 27.8 m -128.51 163.03 34.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.387 -0.369 . . . . 0.0 110.414 -179.359 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.698 ' O ' ' HB ' ' A' ' 9' ' ' VAL . 56.0 mt-10 -134.63 165.9 24.15 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.213 0.53 . . . . 0.0 110.765 177.671 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . 0.46 ' HA ' HG12 ' A' ' 9' ' ' VAL . 13.7 ptm180 -129.1 -176.31 3.83 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.305 -0.861 . . . . 0.0 109.101 173.138 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 33.5 mmtp -76.32 127.25 32.5 Favored 'General case' 0 C--N 1.319 -0.724 0 N-CA-C 108.134 -1.061 . . . . 0.0 108.134 170.791 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 16.9 p-10 -78.34 76.08 4.85 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.888 0.851 . . . . 0.0 110.792 -176.367 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 29.4 p . . . . . 0 C--O 1.248 0.987 0 CA-C-N 114.557 -1.201 . . . . 0.0 109.097 -179.125 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.663 0 N-CA-C 111.5 -0.64 . . . . 0.0 111.5 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 11.6 p -64.79 113.22 3.65 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.579 0.228 . . . . 0.0 111.174 -178.518 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 48.6 ttp 70.55 -60.7 0.49 Allowed 'General case' 0 CA--C 1.534 0.347 0 CA-C-N 115.586 -0.734 . . . . 0.0 112.646 175.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -105.6 147.16 28.74 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.036 0.446 . . . . 0.0 112.121 -173.165 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 28.5 tt0 -74.48 147.98 41.42 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.324 -0.853 . . . . 0.0 110.178 175.818 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 31.7 mt-10 -75.16 142.55 43.52 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.469 -0.332 . . . . 0.0 110.244 178.354 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 27.0 m -90.15 147.93 4.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-O 120.93 0.395 . . . . 0.0 111.347 -177.796 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 41.0 t -124.4 141.88 43.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-O 121.632 0.729 . . . . 0.0 111.585 -177.853 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.423 ' CG1' ' HB3' ' A' ' 60' ' ' ARG . 30.8 m -118.88 -178.58 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 CA-C-N 114.541 -1.208 . . . . 0.0 108.92 178.116 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 12.2 p -140.87 141.07 32.28 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.76 0 C-N-CA 120.423 -0.511 . . . . 0.0 111.009 -178.228 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -82.26 145.79 29.82 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.532 -178.529 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.627 ' HB2' ' HG2' ' A' ' 59' ' ' GLU . 68.3 tttt -86.85 -52.19 5.63 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.48 -0.782 . . . . 0.0 109.628 -178.873 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 72.6 m-85 -132.87 165.9 23.57 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.597 -0.729 . . . . 0.0 109.597 177.772 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . 0.453 ' HB3' ' HD2' ' A' ' 26' ' ' LYS . 0.7 OUTLIER -75.73 139.07 41.67 Favored 'General case' 0 N--CA 1.447 -0.577 0 CA-C-O 121.377 0.608 . . . . 0.0 112.12 -178.139 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . 0.542 ' HB3' HG13 ' A' ' 25' ' ' ILE . 11.1 t80 -137.16 112.97 9.56 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 114.99 -1.005 . . . . 0.0 110.756 -178.893 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 54.0 t -85.88 135.58 24.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-N 116.168 -0.469 . . . . 0.0 109.966 176.483 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.505 ' HB1' ' HB2' ' A' ' 22' ' ' GLU . . . -105.81 160.29 15.35 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.175 -176.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 27.0 mt-30 -67.57 -65.58 0.67 Allowed 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.871 0.367 . . . . 0.0 110.73 -179.726 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . 0.565 ' HB2' ' HG2' ' A' ' 21' ' ' GLN . 44.6 mt-30 -122.39 166.9 13.99 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 109.101 -0.703 . . . . 0.0 109.101 176.775 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.953 ' HB2' ' HD3' ' A' ' 49' ' ' LYS . 1.2 pm0 -72.98 -1.51 17.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.719 0.295 . . . . 0.0 111.793 178.638 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.565 ' HG2' ' HB2' ' A' ' 19' ' ' GLN . 10.1 pt20 -64.1 -26.59 68.61 Favored 'General case' 0 C--N 1.333 -0.132 0 CA-C-O 121.908 0.861 . . . . 0.0 108.717 167.286 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.505 ' HB2' ' HB1' ' A' ' 17' ' ' ALA . 20.0 mm-40 -92.03 -179.21 5.22 Favored 'General case' 0 N--CA 1.446 -0.658 0 N-CA-C 107.363 -1.347 . . . . 0.0 107.363 174.145 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.8 ' HG ' HG21 ' A' ' 43' ' ' VAL . 0.6 OUTLIER -110.93 127.88 55.62 Favored 'General case' 0 C--N 1.316 -0.862 0 C-N-CA 119.584 -0.846 . . . . 0.0 109.225 175.868 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 6.5 p-10 -99.25 133.62 43.28 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 109.753 -0.462 . . . . 0.0 109.753 177.645 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.594 HD12 HG11 ' A' ' 58' ' ' VAL . 1.1 pt -135.73 159.8 39.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-O 121.237 0.542 . . . . 0.0 111.199 -176.276 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.453 ' HD2' ' HB3' ' A' ' 14' ' ' ASP . 53.7 tptt -124.43 158.28 33.15 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 109.501 -0.555 . . . . 0.0 109.501 -178.25 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -57.45 124.77 20.12 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.522 0.201 . . . . 0.0 110.802 177.167 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 66.3 t30 68.34 25.55 7.01 Favored 'General case' 0 N--CA 1.467 0.375 0 O-C-N 123.902 0.751 . . . . 0.0 110.742 178.725 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.403 ' HB2' ' HB3' ' A' ' 26' ' ' LYS . 8.2 tp10 -91.34 144.77 25.24 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.08 177.883 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.438 ' O ' HD12 ' A' ' 31' ' ' LEU . 16.7 ptt-85 -93.86 126.11 38.87 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-O 120.871 0.367 . . . . 0.0 110.412 -179.177 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.438 HD12 ' O ' ' A' ' 30' ' ' ARG . 1.4 mm? -118.52 168.61 10.51 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 109.973 -0.38 . . . . 0.0 109.973 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 12.1 m-90 -104.4 122.0 44.57 Favored 'General case' 0 C--N 1.319 -0.747 0 N-CA-C 109.682 -0.488 . . . . 0.0 109.682 175.392 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.522 ' HA ' HG13 ' A' ' 43' ' ' VAL . 45.5 tp -95.9 129.98 43.0 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 120.926 0.393 . . . . 0.0 111.31 -175.358 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -108.06 -46.7 3.7 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.831 -0.622 . . . . 0.0 109.954 177.77 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . 0.472 ' HB2' ' HB3' ' A' ' 42' ' ' ARG . 7.7 m-20 -141.67 133.71 27.59 Favored 'General case' 0 N--CA 1.467 0.376 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.715 -177.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . 0.52 ' HB3' HD23 ' A' ' 33' ' ' LEU . 6.8 p-10 -128.53 19.76 6.21 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.074 0.464 . . . . 0.0 110.813 179.54 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 5.7 p -84.49 3.3 37.05 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 112.547 0.573 . . . . 0.0 112.547 -173.42 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.574 ' HA ' ' HE2' ' A' ' 38' ' ' LYS . 5.4 mmpt? -126.15 175.59 7.66 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 122.067 -0.395 . . . . 0.0 111.319 -178.682 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 3.2 m -61.66 -40.25 94.26 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-O 121.593 0.711 . . . . 0.0 109.544 174.683 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' TRP . . . . . 0.553 ' HB3' ' HB3' ' A' ' 52' ' ' PHE . 13.2 m0 -92.78 132.17 37.2 Favored 'General case' 0 N--CA 1.448 -0.554 0 CA-C-N 114.833 -1.076 . . . . 0.0 109.665 171.804 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . 0.426 ' CZ3' ' HG3' ' A' ' 60' ' ' ARG . 50.2 m0 -96.31 137.33 35.55 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-O 121.003 0.43 . . . . 0.0 110.736 179.122 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.472 ' HB3' ' HB2' ' A' ' 35' ' ' ASP . 16.1 tpp85 -86.41 108.43 18.48 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.578 -0.737 . . . . 0.0 109.59 178.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.8 HG21 ' HG ' ' A' ' 23' ' ' LEU . 6.4 m -132.45 162.12 40.31 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.681 0 CA-C-O 121.446 0.641 . . . . 0.0 111.647 -177.624 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.444 ' HG2' ' O ' ' A' ' 49' ' ' LYS . 0.4 OUTLIER -126.19 125.82 43.07 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 114.653 -1.158 . . . . 0.0 108.743 178.206 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . 0.578 ' HB3' HD13 ' A' ' 23' ' ' LEU . 39.9 p30 -91.94 -178.55 5.04 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.196 0.522 . . . . 0.0 112.339 -175.147 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 15.0 m -69.66 -8.25 46.05 Favored 'General case' 0 CA--C 1.534 0.328 0 CA-C-N 115.386 -0.824 . . . . 0.0 111.902 -177.345 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 40.7 ttm -90.48 5.38 47.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.276 0.56 . . . . 0.0 109.521 177.645 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 27.4 m-80 69.81 14.7 8.02 Favored 'General case' 0 N--CA 1.467 0.412 0 CA-C-N 115.112 -0.949 . . . . 0.0 110.483 176.808 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.953 ' HD3' ' HB2' ' A' ' 20' ' ' GLU . 98.8 mttt -98.24 164.89 12.13 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.647 -0.706 . . . . 0.0 109.404 179.155 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' THR . . . . . 0.481 ' HA ' HD23 ' A' ' 23' ' ' LEU . 3.0 m -142.47 153.88 44.05 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 120.74 0.305 . . . . 0.0 110.681 -172.195 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 174.22 -147.77 9.49 Favored Glycine 0 N--CA 1.446 -0.645 0 N-CA-C 111.474 -0.65 . . . . 0.0 111.474 -179.22 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.553 ' HB3' ' HB3' ' A' ' 40' ' ' TRP . 87.7 m-85 -123.06 149.87 43.85 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 120.818 0.342 . . . . 0.0 110.622 -179.436 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.511 HG11 ' HB3' ' A' ' 23' ' ' LEU . 16.9 m -132.31 152.53 80.26 Favored Pre-proline 0 C--N 1.324 -0.528 0 CA-C-N 115.844 -0.616 . . . . 0.0 111.473 179.192 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . 0.535 ' O ' HG21 ' A' ' 58' ' ' VAL . 59.8 Cg_endo -72.06 125.05 10.55 Favored 'Trans proline' 0 C--N 1.343 0.24 0 C-N-CA 123.478 2.786 . . . . 0.0 111.798 175.924 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 1.7 p -67.66 -11.7 58.83 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 112.37 0.508 . . . . 0.0 112.37 -176.175 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 5.4 t-20 -78.06 -25.82 47.95 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.088 0.47 . . . . 0.0 110.54 177.227 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . 0.427 ' HB2' ' HG2' ' A' ' 54' ' ' PRO . 86.1 m-85 -105.43 -9.61 17.43 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.618 -176.608 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.594 HG11 HD12 ' A' ' 25' ' ' ILE . 34.3 m -121.8 152.6 25.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-O 120.831 0.348 . . . . 0.0 111.165 -178.405 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.627 ' HG2' ' HB2' ' A' ' 12' ' ' LYS . 5.7 mm-40 -131.27 165.65 22.92 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.004 -0.544 . . . . 0.0 109.631 -178.672 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . 0.426 ' HG3' ' CZ3' ' A' ' 41' ' ' TRP . 0.0 OUTLIER -153.5 175.09 13.57 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.029 0.442 . . . . 0.0 111.621 172.026 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 71.2 mmtt -70.41 108.01 4.07 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.186 -0.916 . . . . 0.0 110.366 -176.216 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 6.2 t30 -93.58 -46.03 7.47 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.578 0.704 . . . . 0.0 109.388 177.74 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 2.2 p . . . . . 0 N--CA 1.439 -0.994 0 CA-C-N 114.986 -1.006 . . . . 0.0 109.459 178.545 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.898 0 N-CA-C 112.454 -0.258 . . . . 0.0 112.454 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 43.7 m -121.05 110.81 16.69 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 120.889 0.376 . . . . 0.0 111.057 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -142.58 157.58 44.56 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.638 179.317 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -149.48 -64.73 0.22 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.804 0.335 . . . . 0.0 111.141 179.723 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 43.4 tt0 -148.26 71.82 1.18 Allowed 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.586 0.707 . . . . 0.0 109.552 178.901 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 6.0 mp0 -109.98 109.92 20.67 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.379 -0.828 . . . . 0.0 109.385 178.386 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 23.0 m -67.45 135.31 28.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-O 121.346 0.593 . . . . 0.0 111.522 -175.85 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.474 ' O ' ' HG2' ' A' ' 61' ' ' LYS . 54.1 t -92.87 137.8 21.54 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.657 0 CA-C-O 121.615 0.722 . . . . 0.0 111.025 178.871 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.65 ' HB ' ' O ' ' A' ' 59' ' ' GLU . 25.2 m -117.4 -175.87 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.314 -0.939 0 CA-C-N 114.493 -1.23 . . . . 0.0 109.186 179.684 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 8.8 p -140.57 137.51 36.04 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.791 0 CA-C-O 120.925 0.393 . . . . 0.0 110.291 -179.307 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.455 ' HB1' HD23 ' A' ' 31' ' ' LEU . . . -77.21 145.83 37.35 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-O 120.993 0.425 . . . . 0.0 111.679 -176.467 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.537 ' HD3' ' HG3' ' A' ' 59' ' ' GLU . 23.9 tptp -83.62 -52.85 6.1 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.16 -178.717 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 73.3 m-85 -129.23 166.73 18.82 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.364 -179.18 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 26.4 m-20 -68.18 131.66 45.79 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.501 176.481 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . 0.559 ' HB3' ' CG1' ' A' ' 25' ' ' ILE . 18.8 t80 -135.63 111.02 9.08 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.102 173.617 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 45.0 t -90.47 133.45 32.28 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.737 0 CA-C-N 115.684 -0.689 . . . . 0.0 109.39 177.718 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.567 ' HB3' ' HG3' ' A' ' 22' ' ' GLU . . . -98.58 159.17 15.13 Favored 'General case' 0 C--N 1.32 -0.715 0 N-CA-C 109.383 -0.599 . . . . 0.0 109.383 -179.436 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 26.4 mt-30 -78.89 -43.23 25.35 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 120.832 0.349 . . . . 0.0 111.224 -176.898 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . 0.543 ' HB3' ' HG2' ' A' ' 21' ' ' GLN . 13.2 tt0 -136.93 166.26 24.05 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 109.54 -0.541 . . . . 0.0 109.54 -179.623 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 -71.21 -2.49 16.16 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.721 -0.218 . . . . 0.0 111.397 -178.612 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.543 ' HG2' ' HB3' ' A' ' 19' ' ' GLN . 3.9 pt20 -69.16 -28.33 66.34 Favored 'General case' 0 C--O 1.232 0.165 0 CA-C-O 121.243 0.544 . . . . 0.0 110.053 176.94 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.567 ' HG3' ' HB3' ' A' ' 17' ' ' ALA . 3.8 pt-20 -104.6 -178.87 3.78 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.502 -0.772 . . . . 0.0 109.037 173.836 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.507 ' HB3' HG11 ' A' ' 53' ' ' VAL . 1.0 OUTLIER -104.41 127.66 52.13 Favored 'General case' 0 C--N 1.319 -0.728 0 C-N-CA 120.064 -0.654 . . . . 0.0 109.799 -176.642 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -97.81 121.29 39.55 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.628 -0.715 . . . . 0.0 109.204 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.589 HD13 HG12 ' A' ' 58' ' ' VAL . 1.2 pt -120.56 175.1 4.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 121.278 0.561 . . . . 0.0 111.258 -175.787 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.525 ' HB3' ' HB2' ' A' ' 29' ' ' GLU . 14.6 tptp -139.0 155.04 48.29 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 109.402 -0.592 . . . . 0.0 109.402 -177.827 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 53.3 tttm -59.98 127.41 31.77 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.753 0.311 . . . . 0.0 111.059 179.104 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 7.1 t30 64.65 21.91 12.5 Favored 'General case' 0 CA--C 1.537 0.462 0 CA-C-N 115.326 -0.852 . . . . 0.0 110.828 178.214 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.525 ' HB2' ' HB3' ' A' ' 26' ' ' LYS . 10.3 tp10 -90.36 144.63 25.63 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 109.157 -0.683 . . . . 0.0 109.157 177.352 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.543 ' O ' HD13 ' A' ' 31' ' ' LEU . 6.9 ptp85 -87.74 131.01 34.64 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-O 120.765 0.317 . . . . 0.0 110.147 -178.039 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.543 HD13 ' O ' ' A' ' 30' ' ' ARG . 1.5 mm? -121.1 162.85 19.32 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 109.687 -0.486 . . . . 0.0 109.687 177.002 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . 0.459 ' HB2' ' HB3' ' A' ' 44' ' ' ARG . 17.8 m-90 -96.05 121.64 38.03 Favored 'General case' 0 C--N 1.316 -0.88 0 N-CA-C 109.091 -0.707 . . . . 0.0 109.091 174.513 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.558 HD23 ' HB3' ' A' ' 36' ' ' ASP . 30.9 tp -96.94 115.37 27.31 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 121.13 0.491 . . . . 0.0 111.297 -174.735 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -102.34 -30.74 10.87 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.21 179.144 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -146.11 124.97 12.66 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.217 -177.394 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . 0.558 ' HB3' HD23 ' A' ' 33' ' ' LEU . 3.6 p30 -129.45 39.79 3.69 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.086 175.691 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 50.6 m -52.1 -47.08 65.45 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-N 115.813 -0.631 . . . . 0.0 112.329 -174.054 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 34.8 ttpt -176.27 -74.66 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.261 0 CA-C-O 120.871 0.367 . . . . 0.0 111.206 175.47 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 49.9 m -101.5 127.54 48.14 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.162 -177.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' TRP . . . . . 0.569 ' HA ' ' O ' ' A' ' 53' ' ' VAL . 26.9 m95 64.32 97.72 0.04 OUTLIER 'General case' 0 C--N 1.332 -0.187 0 O-C-N 123.754 0.658 . . . . 0.0 110.952 179.797 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 53.0 m0 -84.79 142.75 29.57 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.559 -0.746 . . . . 0.0 110.187 -177.815 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 62.3 ttt180 -90.74 111.39 22.74 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 109.516 -0.55 . . . . 0.0 109.516 178.913 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.539 HG11 ' HA ' ' A' ' 33' ' ' LEU . 6.2 m -132.11 164.57 34.43 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.721 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.975 -174.788 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.459 ' HB3' ' HB2' ' A' ' 32' ' ' TRP . 34.5 ttm180 -123.82 130.66 52.97 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 114.883 -1.053 . . . . 0.0 109.371 175.928 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 21.9 t-20 -91.46 170.91 9.57 Favored 'General case' 0 C--N 1.32 -0.678 0 N-CA-C 109.119 -0.697 . . . . 0.0 109.119 176.49 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 11.9 p -68.4 -9.04 45.64 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.829 0.347 . . . . 0.0 111.297 -179.573 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' MET . . . . . 0.423 ' O ' ' HG3' ' A' ' 47' ' ' MET . 48.4 tpp -81.64 5.45 18.19 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 121.436 0.636 . . . . 0.0 109.892 175.539 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 35.9 m-80 68.5 11.21 8.27 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-N 115.494 -0.776 . . . . 0.0 111.313 174.397 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.76 ' HA ' ' HE3' ' A' ' 49' ' ' LYS . 0.0 OUTLIER -86.0 155.0 21.05 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 108.822 -0.807 . . . . 0.0 108.822 174.791 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 2.1 m -138.13 150.61 46.99 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 120.861 0.362 . . . . 0.0 110.593 177.266 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 173.7 -158.47 27.59 Favored Glycine 0 N--CA 1.445 -0.752 0 N-CA-C 111.633 -0.587 . . . . 0.0 111.633 -178.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.4 ' HB3' ' HB3' ' A' ' 40' ' ' TRP . 97.6 m-85 -114.01 144.63 42.79 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 109.75 -0.463 . . . . 0.0 109.75 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.569 ' O ' ' HA ' ' A' ' 40' ' ' TRP . 17.7 m -128.86 153.61 80.01 Favored Pre-proline 0 C--N 1.32 -0.68 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.442 -179.131 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 17.8 Cg_endo -58.45 118.15 4.98 Favored 'Trans proline' 0 N--CA 1.463 -0.303 0 C-N-CA 123.019 2.479 . . . . 0.0 111.333 173.521 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -65.91 -10.72 41.28 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.801 -0.636 . . . . 0.0 112.123 -174.648 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 17.7 m120 -89.4 -16.3 31.25 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.708 0.29 . . . . 0.0 111.327 179.905 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 39.8 m-85 -107.89 -7.1 16.35 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.994 0.426 . . . . 0.0 111.165 -176.734 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.589 HG12 HD13 ' A' ' 25' ' ' ILE . 34.7 m -122.5 152.99 27.03 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 CA-C-N 115.969 -0.56 . . . . 0.0 109.853 178.53 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.65 ' O ' ' HB ' ' A' ' 9' ' ' VAL . 6.0 mm-40 -136.01 166.24 23.8 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.205 0.526 . . . . 0.0 110.881 -176.291 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . 0.512 ' HA ' ' HB ' ' A' ' 9' ' ' VAL . 1.4 ptm180 -121.17 153.56 37.39 Favored 'General case' 0 C--N 1.317 -0.815 0 N-CA-C 109.123 -0.695 . . . . 0.0 109.123 177.707 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.474 ' HG2' ' O ' ' A' ' 8' ' ' VAL . 0.6 OUTLIER -77.22 70.82 3.67 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 121.902 0.858 . . . . 0.0 110.882 178.327 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 49.0 t-20 -151.61 68.87 0.91 Allowed 'General case' 0 C--N 1.32 -0.691 0 N-CA-C 108.2 -1.037 . . . . 0.0 108.2 176.635 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 21.8 m . . . . . 0 C--O 1.249 1.059 0 CA-C-N 115.135 -0.939 . . . . 0.0 109.998 -178.533 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.631 0 N-CA-C 111.818 -0.513 . . . . 0.0 111.818 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 32.1 t -156.91 147.38 21.36 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 109.832 -0.433 . . . . 0.0 109.832 179.718 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -106.07 160.02 15.62 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.312 -0.403 . . . . 0.0 110.142 178.896 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -177.83 -48.34 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.317 0.58 . . . . 0.0 109.834 -176.245 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -141.14 80.49 1.74 Allowed 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.446 -0.797 . . . . 0.0 109.988 175.744 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -62.33 124.05 19.86 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.089 179.098 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 6.6 m -69.05 95.3 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-O 121.867 0.841 . . . . 0.0 111.242 -178.393 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 52.9 t -89.27 131.95 35.28 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.756 0 CA-C-N 115.268 -0.878 . . . . 0.0 110.865 177.749 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.565 ' HB ' ' O ' ' A' ' 59' ' ' GLU . 11.8 m -106.84 175.87 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.31 -1.126 0 CA-C-N 114.49 -1.232 . . . . 0.0 109.123 178.637 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 14.6 p -133.55 147.9 30.87 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.033 0 CA-C-O 121.08 0.466 . . . . 0.0 109.899 -178.577 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.425 ' HB3' ' O ' ' A' ' 26' ' ' LYS . . . -86.67 145.34 26.74 Favored 'General case' 0 C--N 1.314 -0.954 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.005 -179.506 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 56.1 tttt -97.19 -41.41 8.32 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.67 -0.696 . . . . 0.0 110.218 -176.595 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 91.2 m-85 -140.66 149.38 42.18 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.543 -179.063 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . 0.499 ' CG ' ' HZ1' ' A' ' 26' ' ' LYS . 13.5 m-20 -47.52 125.97 9.14 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.258 -0.883 . . . . 0.0 112.939 176.315 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . 0.501 ' HB3' ' CG1' ' A' ' 25' ' ' ILE . 8.4 t80 -136.62 110.35 8.1 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.837 -0.62 . . . . 0.0 109.6 168.223 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 47.9 t -95.04 131.27 42.3 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.747 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.134 179.294 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -97.26 149.23 22.29 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.879 -0.601 . . . . 0.0 109.631 178.624 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 7.6 mm100 -79.69 -59.68 2.64 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-O 121.194 0.521 . . . . 0.0 111.888 -178.759 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . 0.537 ' HB2' ' HG2' ' A' ' 21' ' ' GLN . 38.2 mt-30 -108.3 164.56 12.21 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.112 -179.287 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 23.1 mt-10 -71.84 -3.66 23.55 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.365 -176.191 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.537 ' HG2' ' HB2' ' A' ' 19' ' ' GLN . 8.9 pt20 -69.26 -21.53 63.89 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.508 177.018 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.483 ' HA ' ' HA3' ' A' ' 51' ' ' GLY . 5.9 mm-40 -112.07 176.92 4.82 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.744 -0.662 . . . . 0.0 109.902 179.102 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.772 ' HG ' HG21 ' A' ' 43' ' ' VAL . 0.7 OUTLIER -104.78 129.01 53.11 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 109.481 -0.562 . . . . 0.0 109.481 -179.562 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 2.9 p-10 -99.65 135.17 41.47 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 109.681 -0.488 . . . . 0.0 109.681 178.018 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.559 HD12 HG11 ' A' ' 58' ' ' VAL . 1.1 pt -133.55 175.38 11.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-O 120.981 0.419 . . . . 0.0 111.056 -176.89 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.499 ' HZ1' ' CG ' ' A' ' 14' ' ' ASP . 26.7 tptp -143.41 151.74 40.75 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 108.543 -0.91 . . . . 0.0 108.543 -177.919 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 58.6 tttp -55.15 126.17 23.67 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 118.018 0.372 . . . . 0.0 110.191 176.035 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 72.57 22.31 3.34 Favored 'General case' 0 N--CA 1.469 0.495 0 O-C-N 124.003 0.814 . . . . 0.0 110.613 177.531 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.481 ' HB2' ' HB3' ' A' ' 26' ' ' LYS . 8.6 tp10 -97.24 149.76 21.67 Favored 'General case' 0 C--N 1.331 -0.216 0 N-CA-C 109.643 -0.503 . . . . 0.0 109.643 177.482 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.703 ' O ' HD13 ' A' ' 31' ' ' LEU . 0.0 OUTLIER -96.43 136.64 36.65 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 120.506 0.193 . . . . 0.0 110.774 -177.877 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.703 HD13 ' O ' ' A' ' 30' ' ' ARG . 1.8 mm? -128.53 166.42 18.85 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 110.045 -0.354 . . . . 0.0 110.045 177.842 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 8.0 m-90 -104.66 121.62 43.94 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 109.567 -0.531 . . . . 0.0 109.567 176.745 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.54 ' HA ' HG12 ' A' ' 43' ' ' VAL . 36.8 tp -95.85 118.88 33.33 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 121.136 0.493 . . . . 0.0 111.192 -176.11 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -98.31 -45.88 6.01 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.272 -179.105 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . 0.502 ' HB3' ' HD3' ' A' ' 42' ' ' ARG . 25.1 t70 -144.35 143.96 31.21 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.999 -177.402 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 11.5 p-10 -136.76 32.33 2.73 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.851 -0.613 . . . . 0.0 109.777 178.456 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' SER . . . . . 0.462 ' O ' ' HG3' ' A' ' 38' ' ' LYS . 31.6 t -62.47 -49.38 75.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.234 -0.439 . . . . 0.0 112.025 -172.43 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.462 ' HG3' ' O ' ' A' ' 37' ' ' SER . 2.1 mtpm? -175.71 162.01 2.66 Favored 'General case' 0 N--CA 1.469 0.506 0 C-N-CA 122.342 0.257 . . . . 0.0 111.129 -177.604 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 12.9 m 57.17 80.43 0.16 Allowed 'General case' 0 C--O 1.235 0.31 0 O-C-N 124.039 0.837 . . . . 0.0 111.745 177.156 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' TRP . . . . . 0.462 ' CD1' ' HA ' ' A' ' 54' ' ' PRO . 42.0 m0 65.43 -175.39 0.18 Allowed 'General case' 0 C--O 1.235 0.299 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.22 -175.902 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . 0.502 ' CE3' HG22 ' A' ' 58' ' ' VAL . 39.7 m0 -117.49 144.24 45.25 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 121.432 0.634 . . . . 0.0 111.371 178.71 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.502 ' HD3' ' HB3' ' A' ' 35' ' ' ASP . 66.5 ttt180 -99.78 105.94 17.78 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 114.926 -1.034 . . . . 0.0 110.63 -174.94 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.772 HG21 ' HG ' ' A' ' 23' ' ' LEU . 6.1 m -129.07 168.87 21.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 121.365 0.602 . . . . 0.0 112.474 -173.547 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.617 ' HG2' ' O ' ' A' ' 49' ' ' LYS . 1.1 tmm_? -138.34 123.46 19.15 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 114.871 -1.058 . . . . 0.0 108.321 179.575 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . 0.584 ' O ' ' HD2' ' A' ' 44' ' ' ARG . 40.4 p30 -93.21 -177.47 4.47 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.823 0.344 . . . . 0.0 111.35 -176.84 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 28.1 t -66.82 -14.55 62.79 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.66 -176.579 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' MET . . . . . 0.785 ' HG2' ' HE2' ' A' ' 49' ' ' LYS . 35.9 ttm -87.35 9.81 19.33 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.184 0.516 . . . . 0.0 109.98 -179.314 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 29.9 m-80 67.47 14.19 9.54 Favored 'General case' 0 N--CA 1.466 0.37 0 CA-C-N 115.489 -0.778 . . . . 0.0 111.45 174.077 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.785 ' HE2' ' HG2' ' A' ' 47' ' ' MET . 71.6 mmtt -87.87 158.17 18.79 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 109.695 -0.483 . . . . 0.0 109.695 178.28 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 3.6 m -136.86 153.08 50.86 Favored 'General case' 0 C--N 1.32 -0.689 0 N-CA-C 110.328 -0.249 . . . . 0.0 110.328 176.407 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . 0.483 ' HA3' ' HA ' ' A' ' 22' ' ' GLU . . . 171.96 -172.04 44.5 Favored Glycine 0 N--CA 1.445 -0.74 0 N-CA-C 111.599 -0.6 . . . . 0.0 111.599 -178.934 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 80.8 m-85 -105.06 133.16 50.3 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.996 0.427 . . . . 0.0 110.357 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.471 HG11 ' HB3' ' A' ' 23' ' ' LEU . 21.6 m -117.02 144.4 33.49 Favored Pre-proline 0 C--N 1.321 -0.644 0 CA-C-N 115.582 -0.736 . . . . 0.0 111.156 179.198 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . 0.514 ' HG2' ' HB2' ' A' ' 57' ' ' TYR . 19.2 Cg_endo -57.09 125.48 19.09 Favored 'Trans proline' 0 C--O 1.234 0.314 0 C-N-CA 123.572 2.848 . . . . 0.0 112.004 177.861 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 7.0 m -67.26 -11.52 57.7 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.73 -0.668 . . . . 0.0 111.936 -174.265 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 21.8 m120 -93.22 -14.77 26.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.629 0.252 . . . . 0.0 111.548 179.347 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . 0.514 ' HB2' ' HG2' ' A' ' 54' ' ' PRO . 55.0 m-85 -103.6 -8.81 19.71 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.828 0.347 . . . . 0.0 110.986 -178.577 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.559 HG11 HD12 ' A' ' 25' ' ' ILE . 21.6 m -127.57 158.75 38.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 N-CA-C 110.008 -0.368 . . . . 0.0 110.008 179.497 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.565 ' O ' ' HB ' ' A' ' 9' ' ' VAL . 5.8 mm-40 -133.54 155.62 49.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.924 0.392 . . . . 0.0 111.261 -177.923 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . 0.5 ' HA ' HG11 ' A' ' 9' ' ' VAL . 76.6 mtm180 -95.8 -162.61 0.97 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.11 175.758 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 86.9 mttt -70.87 87.37 0.71 Allowed 'General case' 0 N--CA 1.454 -0.24 0 N-CA-C 109.649 -0.5 . . . . 0.0 109.649 172.115 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 63.6 t30 -78.21 -16.11 58.17 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.913 -177.915 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 38.1 m . . . . . 0 C--O 1.25 1.107 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.253 179.159 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.56 0 N-CA-C 111.8 -0.52 . . . . 0.0 111.8 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 12.7 p -116.94 17.37 15.01 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 121.365 0.602 . . . . 0.0 110.178 179.079 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 2.0 mpt? -79.1 85.16 5.02 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.606 -0.725 . . . . 0.0 110.435 -176.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -123.98 122.39 37.79 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.183 179.011 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 29.0 tt0 -92.28 104.3 16.67 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 109.528 -0.545 . . . . 0.0 109.528 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -73.01 151.72 41.63 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.404 -0.816 . . . . 0.0 111.028 -172.773 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 48.4 t -82.55 125.37 39.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.61 -179.075 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 46.4 t -106.06 141.66 20.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-O 121.475 0.655 . . . . 0.0 111.434 -176.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 5.6 m -116.62 174.62 3.42 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.72 0 CA-C-N 114.871 -1.059 . . . . 0.0 109.163 174.355 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 14.4 p -137.04 155.38 32.6 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.793 0 N-CA-C 109.679 -0.489 . . . . 0.0 109.679 -178.04 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.484 ' HA ' ' HA ' ' A' ' 58' ' ' VAL . . . -108.62 146.85 32.73 Favored 'General case' 0 C--N 1.32 -0.686 0 N-CA-C 111.418 0.155 . . . . 0.0 111.418 -178.743 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.535 ' O ' ' HG3' ' A' ' 27' ' ' LYS . 3.8 ttmp? -89.42 -44.91 9.84 Favored 'General case' 0 C--N 1.329 -0.315 0 C-N-CA 121.023 -0.271 . . . . 0.0 110.625 176.222 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 65.5 m-85 -122.54 148.16 45.52 Favored 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 120.821 -0.352 . . . . 0.0 111.039 -179.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . 0.573 ' HB3' ' HD3' ' A' ' 26' ' ' LYS . 1.0 OUTLIER -68.21 143.16 55.44 Favored 'General case' 0 N--CA 1.446 -0.656 0 CA-C-O 121.475 0.655 . . . . 0.0 112.15 179.962 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . 0.52 ' HB3' ' CG1' ' A' ' 25' ' ' ILE . 10.5 t80 -137.99 119.1 14.44 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 114.884 -1.053 . . . . 0.0 110.091 177.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 47.9 t -93.3 133.35 34.72 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 N-CA-C 109.887 -0.412 . . . . 0.0 109.887 178.333 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.498 ' HB2' ' HB2' ' A' ' 22' ' ' GLU . . . -98.58 164.16 12.37 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.043 -0.526 . . . . 0.0 109.999 -178.75 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 20.3 mt-30 -80.67 -51.9 8.17 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 120.869 -0.332 . . . . 0.0 111.272 -174.535 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . 0.445 ' HB3' ' HG2' ' A' ' 21' ' ' GLN . 24.7 tp60 -131.31 170.69 14.28 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 179.579 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.591 ' HB3' ' HD2' ' A' ' 49' ' ' LYS . 1.8 mp0 -70.75 -3.47 18.89 Favored 'General case' 0 N--CA 1.469 0.482 0 CA-C-O 120.783 0.325 . . . . 0.0 111.304 -178.631 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.445 ' HG2' ' HB3' ' A' ' 19' ' ' GLN . 24.1 pt20 -70.44 -20.13 62.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.61 0.719 . . . . 0.0 109.366 173.026 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.498 ' HB2' ' HB2' ' A' ' 17' ' ' ALA . 3.6 mt-10 -105.51 -178.63 3.71 Favored 'General case' 0 N--CA 1.449 -0.497 0 CA-C-N 114.643 -1.162 . . . . 0.0 109.134 178.073 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.677 ' HG ' HG21 ' A' ' 43' ' ' VAL . 0.8 OUTLIER -115.15 128.73 56.38 Favored 'General case' 0 C--N 1.323 -0.587 0 N-CA-C 110.04 -0.356 . . . . 0.0 110.04 -178.719 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 4.0 p-10 -95.36 135.26 37.2 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 109.415 -0.587 . . . . 0.0 109.415 177.441 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.573 HD11 HG11 ' A' ' 58' ' ' VAL . 1.0 OUTLIER -135.08 158.38 41.1 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 C-N-CA 120.608 -0.437 . . . . 0.0 110.968 -179.229 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.589 ' HB3' ' HB2' ' A' ' 29' ' ' GLU . 4.0 tppp? -126.99 158.61 36.45 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 116.468 -0.333 . . . . 0.0 110.156 -177.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.535 ' HG3' ' O ' ' A' ' 12' ' ' LYS . 82.2 tttt -55.61 124.65 18.06 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.294 172.499 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 12.3 t-20 69.03 20.77 7.64 Favored 'General case' 0 N--CA 1.47 0.545 0 O-C-N 123.89 0.744 . . . . 0.0 110.705 179.868 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.589 ' HB2' ' HB3' ' A' ' 26' ' ' LYS . 9.5 tp10 -92.1 145.62 24.37 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 121.942 -0.473 . . . . 0.0 109.916 178.707 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.487 ' O ' HD13 ' A' ' 31' ' ' LEU . 9.3 ptt180 -96.3 129.74 43.56 Favored 'General case' 0 C--N 1.316 -0.863 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.209 -178.52 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.487 HD13 ' O ' ' A' ' 30' ' ' ARG . 1.5 mm? -120.51 165.38 15.05 Favored 'General case' 0 C--N 1.314 -0.971 0 N-CA-C 109.372 -0.603 . . . . 0.0 109.372 178.953 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . 0.541 ' HB2' ' HB3' ' A' ' 44' ' ' ARG . 24.5 m-90 -105.54 122.13 45.39 Favored 'General case' 0 C--N 1.314 -0.967 0 N-CA-C 109.551 -0.537 . . . . 0.0 109.551 176.106 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.524 ' HA ' HG12 ' A' ' 43' ' ' VAL . 37.6 tp -97.8 114.69 26.78 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 120.885 0.374 . . . . 0.0 111.053 -175.044 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -101.27 -36.79 8.78 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.919 -176.86 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 22.7 t0 -154.72 147.17 24.03 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.503 -0.317 . . . . 0.0 110.721 -175.904 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 15.2 p-10 -125.02 78.57 1.72 Allowed 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 122.011 0.91 . . . . 0.0 109.807 -178.724 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -52.17 -47.46 65.49 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 114.436 -1.256 . . . . 0.0 111.888 -178.355 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.802 ' HG3' ' H ' ' A' ' 39' ' ' SER . 46.1 pttt -172.52 -91.88 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.301 -0.408 . . . . 0.0 109.952 178.824 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' SER . . . . . 0.802 ' H ' ' HG3' ' A' ' 38' ' ' LYS . 8.1 p -96.94 -37.77 10.07 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.354 0.597 . . . . 0.0 109.45 171.611 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 33.0 m95 -80.81 102.57 10.08 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.072 -0.967 . . . . 0.0 109.623 175.509 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . 0.536 ' O ' ' HA ' ' A' ' 52' ' ' PHE . 41.8 m0 -95.23 140.83 29.58 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.246 -179.429 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.439 ' HA ' ' O ' ' A' ' 51' ' ' GLY . 56.0 ttt180 -88.21 110.15 20.48 Favored 'General case' 0 C--O 1.237 0.438 0 N-CA-C 109.567 -0.531 . . . . 0.0 109.567 179.466 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.677 HG21 ' HG ' ' A' ' 23' ' ' LEU . 4.1 m -129.19 166.9 25.63 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 CA-C-N 115.559 -0.746 . . . . 0.0 111.92 -175.361 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.541 ' HB3' ' HB2' ' A' ' 32' ' ' TRP . 57.2 ttt-85 -123.06 130.85 53.33 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 114.858 -1.065 . . . . 0.0 109.12 176.699 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . 0.548 ' H ' HD23 ' A' ' 23' ' ' LEU . 52.8 t30 -94.09 172.89 7.94 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 120.845 0.355 . . . . 0.0 110.65 -179.913 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' SER . . . . . 0.414 ' C ' ' H ' ' A' ' 48' ' ' ASN . 45.1 t -66.28 -17.34 64.69 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.482 177.928 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' MET . . . . . 0.422 ' O ' ' HG2' ' A' ' 49' ' ' LYS . 27.9 ttt -80.1 16.15 1.31 Allowed 'General case' 0 CA--C 1.533 0.308 0 CA-C-N 116.121 -0.49 . . . . 0.0 109.967 176.343 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . 0.414 ' H ' ' C ' ' A' ' 46' ' ' SER . 4.6 p30 48.09 32.12 2.81 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 123.987 0.915 . . . . 0.0 112.431 178.876 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.591 ' HD2' ' HB3' ' A' ' 20' ' ' GLU . 69.5 mmtt -104.22 165.25 11.17 Favored 'General case' 0 N--CA 1.45 -0.471 0 N-CA-C 108.728 -0.841 . . . . 0.0 108.728 172.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 2.4 m -136.33 150.36 48.83 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 120.729 0.3 . . . . 0.0 110.416 178.375 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . 0.439 ' O ' ' HA ' ' A' ' 42' ' ' ARG . . . 174.95 -155.14 20.1 Favored Glycine 0 N--CA 1.448 -0.502 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.933 -178.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.536 ' HA ' ' O ' ' A' ' 41' ' ' TRP . 91.9 m-85 -120.78 144.12 48.47 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 110.121 -0.326 . . . . 0.0 110.121 -178.277 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.48 HG12 ' HB3' ' A' ' 23' ' ' LEU . 28.7 m -129.74 158.03 74.86 Favored Pre-proline 0 C--N 1.323 -0.544 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.68 -179.113 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . 0.499 ' HG2' ' HB2' ' A' ' 57' ' ' TYR . 59.6 Cg_endo -74.3 133.12 17.27 Favored 'Trans proline' 0 C--N 1.346 0.446 0 C-N-CA 123.049 2.499 . . . . 0.0 112.582 176.788 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 8.5 p -71.83 -10.82 60.33 Favored 'General case' 0 C--N 1.327 -0.413 0 N-CA-C 112.811 0.671 . . . . 0.0 112.811 -175.412 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . 0.425 ' OD1' ' HB2' ' A' ' 54' ' ' PRO . 21.6 p-10 -94.37 -1.47 53.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.717 0.294 . . . . 0.0 111.622 179.919 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . 0.499 ' HB2' ' HG2' ' A' ' 54' ' ' PRO . 52.1 m-85 -114.37 -28.44 7.23 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.808 0.337 . . . . 0.0 110.618 177.445 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.573 HG11 HD11 ' A' ' 25' ' ' ILE . 35.0 m -107.95 160.33 7.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 N-CA-C 109.473 -0.566 . . . . 0.0 109.473 178.4 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.408 ' OE2' ' HB2' ' A' ' 12' ' ' LYS . 45.3 mt-10 -124.97 153.84 42.13 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 121.48 0.657 . . . . 0.0 112.05 -176.12 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 25.6 mtp180 -108.26 106.46 16.64 Favored 'General case' 0 C--N 1.32 -0.713 0 N-CA-C 108.321 -0.992 . . . . 0.0 108.321 168.715 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.568 ' O ' ' HB2' ' A' ' 62' ' ' ASN . 0.0 OUTLIER -78.51 -172.24 2.82 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.317 -178.242 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . 0.568 ' HB2' ' O ' ' A' ' 61' ' ' LYS . 2.5 m120 76.29 88.68 0.08 Allowed 'General case' 0 N--CA 1.468 0.435 0 CA-C-O 121.378 0.609 . . . . 0.0 110.041 -171.878 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 73.1 m . . . . . 0 C--O 1.247 0.943 0 CA-C-N 115.411 -0.813 . . . . 0.0 109.212 178.19 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.786 0 N-CA-C 112.237 -0.345 . . . . 0.0 112.237 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 30.2 p -147.34 131.48 17.35 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.553 0.216 . . . . 0.0 110.532 178.025 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 26.0 mmt -78.91 -31.86 45.46 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.366 0.603 . . . . 0.0 110.015 178.816 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -154.74 167.83 28.9 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.102 -0.954 . . . . 0.0 109.007 178.208 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -75.72 118.09 18.17 Favored 'General case' 0 C--N 1.324 -0.536 0 C-N-CA 120.561 -0.456 . . . . 0.0 110.661 178.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -65.55 133.19 50.68 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 108.655 -0.868 . . . . 0.0 108.655 170.493 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.785 HG13 ' HE2' ' A' ' 61' ' ' LYS . 45.9 t -63.34 117.44 4.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-O 121.336 0.589 . . . . 0.0 111.346 -174.096 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.438 ' CG1' ' HB2' ' A' ' 30' ' ' ARG . 47.1 t -87.59 135.2 25.92 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.676 0 CA-C-N 114.869 -1.059 . . . . 0.0 111.39 -178.65 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.48 ' HB ' ' O ' ' A' ' 59' ' ' GLU . 12.4 m -105.59 176.32 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.316 -0.868 0 CA-C-N 114.78 -1.1 . . . . 0.0 108.575 175.303 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 14.1 p -131.95 155.37 41.53 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.821 0 C-N-CA 120.75 -0.38 . . . . 0.0 110.259 -178.599 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -97.86 146.36 25.51 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 120.974 0.416 . . . . 0.0 111.287 179.616 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.439 ' HB2' ' HE3' ' A' ' 12' ' ' LYS . 38.0 ttmt -90.23 -45.47 9.06 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.943 -0.572 . . . . 0.0 110.185 -178.49 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.412 ' HB2' ' CD2' ' A' ' 57' ' ' TYR . 65.1 m-85 -136.94 168.92 18.66 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.51 179.757 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 34.0 m-20 -69.05 133.69 48.43 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.549 178.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . 0.555 ' HB3' ' CG1' ' A' ' 25' ' ' ILE . 7.6 t80 -135.61 111.4 9.38 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.714 -0.675 . . . . 0.0 109.53 171.83 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.431 ' HA ' ' OD1' ' A' ' 24' ' ' ASP . 40.7 t -94.36 126.4 46.79 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.311 -179.784 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -87.36 131.53 34.25 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.934 -0.575 . . . . 0.0 109.47 179.713 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 8.5 tt0 -61.96 -38.9 90.24 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 121.013 0.435 . . . . 0.0 111.339 -175.756 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 81.3 mm-40 -129.6 156.42 44.24 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.066 -0.516 . . . . 0.0 109.924 178.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -71.19 -3.05 18.09 Favored 'General case' 0 N--CA 1.464 0.249 0 N-CA-C 111.954 0.353 . . . . 0.0 111.954 -176.822 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 3.8 pt20 -72.52 -17.62 61.72 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.143 0.497 . . . . 0.0 110.459 175.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 71.3 mm-40 -108.19 -177.88 3.45 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.497 -0.774 . . . . 0.0 109.615 176.686 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.774 ' HG ' HG22 ' A' ' 43' ' ' VAL . 0.8 OUTLIER -103.4 128.26 50.57 Favored 'General case' 0 C--N 1.32 -0.69 0 C-N-CA 120.642 -0.423 . . . . 0.0 110.206 -175.923 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . 0.431 ' OD1' ' HA ' ' A' ' 16' ' ' VAL . 24.9 t70 -97.21 121.72 39.42 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.225 -0.443 . . . . 0.0 109.852 176.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.571 HD11 HG11 ' A' ' 58' ' ' VAL . 0.9 OUTLIER -121.11 162.59 19.8 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 CA-C-O 120.922 0.392 . . . . 0.0 110.469 -179.321 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.413 ' HB2' ' HE2' ' A' ' 26' ' ' LYS . 0.4 OUTLIER -129.54 154.77 46.71 Favored 'General case' 0 C--N 1.319 -0.753 0 C-N-CA 120.786 -0.366 . . . . 0.0 110.031 -177.861 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 82.8 tttt -55.29 124.41 16.96 Favored 'General case' 0 C--N 1.319 -0.736 0 O-C-N 123.656 0.597 . . . . 0.0 111.205 179.545 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 64.5 t30 64.7 23.88 12.83 Favored 'General case' 0 CA--C 1.535 0.391 0 CA-C-N 115.646 -0.706 . . . . 0.0 111.007 176.593 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -100.07 155.1 17.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.227 -0.442 . . . . 0.0 109.911 178.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.622 ' O ' HD13 ' A' ' 31' ' ' LEU . 6.7 ptp180 -93.01 141.36 28.48 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 120.759 0.314 . . . . 0.0 111.044 -176.479 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.622 HD13 ' O ' ' A' ' 30' ' ' ARG . 2.3 mm? -129.16 167.77 17.11 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 109.616 -0.512 . . . . 0.0 109.616 175.305 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 18.5 m-90 -105.47 120.57 41.96 Favored 'General case' 0 C--N 1.317 -0.812 0 N-CA-C 109.486 -0.561 . . . . 0.0 109.486 173.855 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.59 ' HA ' HG11 ' A' ' 43' ' ' VAL . 41.9 tp -95.25 124.02 39.07 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 120.981 0.42 . . . . 0.0 111.195 -176.164 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -102.42 -51.05 3.43 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.626 -0.716 . . . . 0.0 110.078 178.227 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -127.64 130.44 48.95 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.596 -176.528 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 11.7 p-10 -103.15 64.85 0.85 Allowed 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 122.302 1.048 . . . . 0.0 108.747 175.282 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' SER . . . . . 0.446 ' O ' ' HB3' ' A' ' 38' ' ' LYS . 0.3 OUTLIER -67.52 5.34 0.81 Allowed 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 114.25 -1.341 . . . . 0.0 113.27 -176.687 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.446 ' HB3' ' O ' ' A' ' 37' ' ' SER . 84.9 tttt 73.59 -69.63 0.18 Allowed 'General case' 0 N--CA 1.469 0.505 0 C-N-CA 123.167 0.587 . . . . 0.0 110.858 178.733 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 24.1 m -82.58 91.04 6.86 Favored 'General case' 0 N--CA 1.444 -0.742 0 N-CA-C 109.644 -0.502 . . . . 0.0 109.644 177.879 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' TRP . . . . . 0.542 ' HB3' ' HB3' ' A' ' 52' ' ' PHE . 61.2 m95 70.92 113.33 0.05 Allowed 'General case' 0 N--CA 1.465 0.294 0 CA-C-N 115.277 -0.874 . . . . 0.0 110.507 -176.772 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . 0.422 ' O ' ' HA ' ' A' ' 52' ' ' PHE . 42.4 m0 -90.59 146.7 23.85 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.686 -177.173 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 21.5 ttp180 -95.62 113.74 25.41 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.991 0.424 . . . . 0.0 110.035 178.189 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.774 HG22 ' HG ' ' A' ' 23' ' ' LEU . 5.6 m -126.96 166.93 22.6 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 CA-C-N 115.562 -0.745 . . . . 0.0 111.389 -177.502 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.475 ' HG3' ' O ' ' A' ' 49' ' ' LYS . 39.2 ttt180 -133.95 127.29 32.1 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.464 -0.789 . . . . 0.0 109.822 176.837 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 28.3 t-20 -87.45 174.84 8.26 Favored 'General case' 0 C--N 1.32 -0.69 0 N-CA-C 109.193 -0.669 . . . . 0.0 109.193 178.537 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 6.2 p -68.27 -15.21 63.48 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.947 0.404 . . . . 0.0 111.096 -178.523 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 53.0 tpp -75.32 -3.23 32.27 Favored 'General case' 0 CA--C 1.533 0.312 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.191 174.687 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 22.9 m-80 71.12 9.74 6.72 Favored 'General case' 0 N--CA 1.468 0.442 0 C-N-CA 123.858 0.863 . . . . 0.0 111.756 174.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.475 ' O ' ' HG3' ' A' ' 44' ' ' ARG . 71.7 mmtt -74.3 155.09 38.58 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 108.22 -1.03 . . . . 0.0 108.22 172.44 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' THR . . . . . 0.411 ' HA ' HD23 ' A' ' 23' ' ' LEU . 3.0 m -133.82 153.12 51.96 Favored 'General case' 0 C--N 1.319 -0.736 0 N-CA-C 110.226 -0.287 . . . . 0.0 110.226 177.554 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 171.25 -169.36 42.42 Favored Glycine 0 N--CA 1.447 -0.595 0 C-N-CA 120.842 -0.695 . . . . 0.0 111.886 -179.401 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.542 ' HB3' ' HB3' ' A' ' 40' ' ' TRP . 91.3 m-85 -108.54 140.33 42.05 Favored 'General case' 0 N--CA 1.448 -0.56 0 CA-C-O 121.085 0.469 . . . . 0.0 110.362 -179.126 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 27.7 m -123.05 148.34 54.09 Favored Pre-proline 0 C--N 1.317 -0.815 0 CA-C-N 115.737 -0.665 . . . . 0.0 111.24 -179.106 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . 0.5 ' HG2' ' HB2' ' A' ' 57' ' ' TYR . 33.7 Cg_endo -64.88 128.67 21.36 Favored 'Trans proline' 0 N--CA 1.462 -0.352 0 C-N-CA 122.96 2.44 . . . . 0.0 111.837 178.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 32.2 t -67.82 -11.33 58.34 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.055 -0.521 . . . . 0.0 111.511 -175.569 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 2.8 m-20 -90.19 -14.97 32.38 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.696 0.284 . . . . 0.0 111.238 -178.009 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . 0.5 ' HB2' ' HG2' ' A' ' 54' ' ' PRO . 39.5 m-85 -109.77 -9.11 14.84 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.593 -0.276 . . . . 0.0 111.372 -177.751 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.571 HG11 HD11 ' A' ' 25' ' ' ILE . 27.8 m -124.48 164.23 23.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-O 120.523 0.201 . . . . 0.0 110.908 -178.607 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.48 ' O ' ' HB ' ' A' ' 9' ' ' VAL . 41.1 mm-40 -135.04 166.91 21.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.074 -178.047 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 78.4 mtp180 -106.92 -159.1 0.68 Allowed 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.369 178.046 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.785 ' HE2' HG13 ' A' ' 7' ' ' VAL . 18.5 ptpt -75.22 151.97 38.39 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 109.786 -0.45 . . . . 0.0 109.786 179.168 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 13.6 m120 -82.72 109.16 16.63 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 109.945 -0.391 . . . . 0.0 109.945 178.191 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 63.3 m . . . . . 0 C--O 1.249 1.035 0 CA-C-O 118.331 -0.842 . . . . 0.0 110.338 -177.876 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.685 0 N-CA-C 111.998 -0.441 . . . . 0.0 111.998 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 52.9 p -78.35 -38.74 41.33 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.673 0.273 . . . . 0.0 110.61 179.364 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 94.2 mmm 59.22 28.73 18.12 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.554 -179.376 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -151.83 -167.17 2.7 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.339 -0.846 . . . . 0.0 109.648 -178.129 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 13.7 pt-20 -82.58 150.36 26.94 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 120.963 0.411 . . . . 0.0 110.936 179.39 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 42.0 mm-40 -83.23 177.07 8.71 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.811 -0.632 . . . . 0.0 109.808 175.845 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 50.4 t -69.28 105.36 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-O 120.799 0.333 . . . . 0.0 110.963 -179.461 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 79.0 t -106.16 139.3 27.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-O 121.778 0.799 . . . . 0.0 111.46 -179.162 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 20.2 m -118.58 -177.67 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.317 -0.84 0 CA-C-N 114.093 -1.412 . . . . 0.0 108.852 178.033 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 12.5 p -140.65 143.27 29.19 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.692 0 C-N-CA 120.804 -0.358 . . . . 0.0 110.129 -179.867 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.495 ' HB2' HD22 ' A' ' 31' ' ' LEU . . . -89.75 146.21 24.65 Favored 'General case' 0 C--N 1.316 -0.865 0 CA-C-O 121.028 0.442 . . . . 0.0 111.944 -176.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.581 ' HB2' ' HG2' ' A' ' 59' ' ' GLU . 51.9 tptt -85.09 -49.1 8.55 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.2 -178.731 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 58.7 m-85 -132.81 167.97 19.22 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.228 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 25.0 m-20 -67.75 128.28 35.89 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.606 -0.724 . . . . 0.0 111.017 178.324 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . 0.532 ' HB3' ' CG1' ' A' ' 25' ' ' ILE . 33.2 t80 -131.85 111.11 11.31 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.15 -0.477 . . . . 0.0 109.759 172.184 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 27.0 t -81.65 142.33 13.89 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-N 115.857 -0.61 . . . . 0.0 109.709 178.891 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.505 ' HB1' ' HB2' ' A' ' 22' ' ' GLU . . . -86.1 153.63 21.95 Favored 'General case' 0 N--CA 1.441 -0.911 0 N-CA-C 109.569 -0.53 . . . . 0.0 109.569 -177.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 8.0 tt0 -67.98 -55.28 13.28 Favored 'General case' 0 C--N 1.315 -0.927 0 N-CA-C 109.569 -0.53 . . . . 0.0 109.569 178.409 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 23.4 mm-40 -147.44 -167.91 2.91 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 114.944 -1.026 . . . . 0.0 108.742 173.048 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 4.5 mp0 -70.9 -3.58 19.93 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-O 120.964 0.411 . . . . 0.0 110.792 179.597 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.418 ' HG3' ' OE2' ' A' ' 22' ' ' GLU . 12.7 pt20 -78.34 -17.98 55.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.384 0.612 . . . . 0.0 110.109 175.339 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.505 ' HB2' ' HB1' ' A' ' 17' ' ' ALA . 49.0 mm-40 -110.39 177.34 4.72 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 108.326 -0.99 . . . . 0.0 108.326 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.509 HD23 ' HA ' ' A' ' 50' ' ' THR . 1.1 tm? -105.85 128.03 53.49 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 109.379 -0.6 . . . . 0.0 109.379 177.003 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -96.23 117.71 31.33 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 109.99 -0.374 . . . . 0.0 109.99 179.635 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.564 HD11 HG11 ' A' ' 58' ' ' VAL . 1.0 OUTLIER -118.72 176.5 3.12 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.652 0 CA-C-O 120.882 0.372 . . . . 0.0 110.146 179.423 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.569 ' HZ3' ' HB2' ' A' ' 26' ' ' LYS . 0.0 OUTLIER -142.58 164.23 30.67 Favored 'General case' 0 C--N 1.316 -0.865 0 N-CA-C 109.396 -0.594 . . . . 0.0 109.396 -178.184 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 37.9 ttpt -63.42 139.34 58.76 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 110.089 -0.337 . . . . 0.0 110.089 177.909 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 3.1 p-10 48.95 28.83 2.12 Favored 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 124.115 0.966 . . . . 0.0 112.047 -177.046 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -89.65 146.29 24.64 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.903 -0.589 . . . . 0.0 109.837 176.478 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 2.4 ptm180 -96.49 126.62 41.81 Favored 'General case' 0 C--N 1.319 -0.758 0 N-CA-C 109.687 -0.486 . . . . 0.0 109.687 179.56 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.495 HD22 ' HB2' ' A' ' 11' ' ' ALA . 1.3 mm? -117.78 165.55 13.51 Favored 'General case' 0 C--N 1.318 -0.771 0 N-CA-C 109.853 -0.425 . . . . 0.0 109.853 -178.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . 0.416 ' HE3' ' O ' ' A' ' 44' ' ' ARG . 12.1 m-90 -102.88 124.06 47.68 Favored 'General case' 0 C--N 1.315 -0.921 0 N-CA-C 109.577 -0.527 . . . . 0.0 109.577 175.668 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.582 ' HA ' HG13 ' A' ' 43' ' ' VAL . 43.9 tp -99.01 117.7 34.12 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 121.161 0.505 . . . . 0.0 111.388 -174.604 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.421 HD22 ' N ' ' A' ' 34' ' ' LEU . 1.9 mm? -106.87 -26.89 11.03 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.671 -0.695 . . . . 0.0 111.098 -178.145 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . 0.599 ' HB3' ' HB3' ' A' ' 42' ' ' ARG . 11.0 t70 -153.47 133.45 13.24 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.957 0.408 . . . . 0.0 111.633 -175.687 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -131.82 36.79 3.68 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.709 -0.678 . . . . 0.0 109.711 176.051 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 12.6 t -56.14 -48.82 75.52 Favored 'General case' 0 C--O 1.237 0.401 0 CA-C-N 115.804 -0.635 . . . . 0.0 111.77 -172.74 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 17.1 pttp -178.97 162.78 1.29 Allowed 'General case' 0 C--O 1.233 0.196 0 CA-C-O 120.549 0.214 . . . . 0.0 111.242 -179.857 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 13.4 m 68.17 -83.36 0.03 OUTLIER 'General case' 0 CA--C 1.534 0.35 0 CA-C-N 115.517 -0.765 . . . . 0.0 111.666 172.621 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 8.1 m0 -124.4 142.82 51.0 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 109.386 -0.598 . . . . 0.0 109.386 -179.661 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 51.1 m0 -83.31 139.77 32.86 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-O 121.161 0.505 . . . . 0.0 110.847 -177.444 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.599 ' HB3' ' HB3' ' A' ' 35' ' ' ASP . 42.2 ttp180 -98.04 110.6 23.15 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.992 -0.549 . . . . 0.0 109.955 -179.621 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.582 HG13 ' HA ' ' A' ' 33' ' ' LEU . 11.7 m -127.78 173.4 13.13 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 CA-C-N 115.492 -0.777 . . . . 0.0 112.062 -173.801 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.416 ' O ' ' HE3' ' A' ' 32' ' ' TRP . 15.1 ttm180 -129.29 129.07 44.42 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 114.905 -1.043 . . . . 0.0 109.323 175.519 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 55.2 t30 -104.02 179.2 4.34 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 109.046 -0.724 . . . . 0.0 109.046 177.339 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 27.2 p -65.26 -8.13 16.34 Favored 'General case' 0 CA--C 1.533 0.304 0 CA-C-O 121.313 0.578 . . . . 0.0 110.972 179.476 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' MET . . . . . 0.837 ' HA ' ' HE3' ' A' ' 47' ' ' MET . 2.4 tpt -76.86 12.22 1.43 Allowed 'General case' 0 CA--C 1.533 0.314 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.65 178.24 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 9.6 p30 50.66 21.72 0.96 Allowed 'General case' 0 N--CA 1.483 1.198 0 C-N-CA 124.317 1.047 . . . . 0.0 113.285 176.029 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.528 ' HG2' ' O ' ' A' ' 47' ' ' MET . 68.2 mmtt -113.81 169.59 8.88 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.011 178.509 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' THR . . . . . 0.509 ' HA ' HD23 ' A' ' 23' ' ' LEU . 5.0 m -136.57 152.17 50.19 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 109.814 -0.439 . . . . 0.0 109.814 176.001 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 178.7 -171.49 43.69 Favored Glycine 0 N--CA 1.445 -0.733 0 N-CA-C 111.469 -0.653 . . . . 0.0 111.469 -178.25 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 93.5 m-85 -105.39 125.09 50.59 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-O 120.926 0.393 . . . . 0.0 110.705 -179.162 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.459 ' CG1' ' HB3' ' A' ' 23' ' ' LEU . 27.6 m -109.16 147.87 36.83 Favored Pre-proline 0 C--N 1.321 -0.64 0 CA-C-O 121.111 0.481 . . . . 0.0 111.368 -179.468 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . 0.48 ' HG2' ' HB2' ' A' ' 57' ' ' TYR . 42.3 Cg_endo -66.08 122.57 10.13 Favored 'Trans proline' 0 C--O 1.237 0.453 0 C-N-CA 123.366 2.711 . . . . 0.0 112.264 179.218 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 10.9 m -64.63 -11.72 38.25 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.73 -0.668 . . . . 0.0 111.809 -177.47 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 69.8 m-20 -87.85 -11.62 47.28 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.524 -0.307 . . . . 0.0 110.85 -179.536 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . 0.48 ' HB2' ' HG2' ' A' ' 54' ' ' PRO . 45.5 m-85 -111.55 -16.53 13.26 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.82 0.343 . . . . 0.0 110.999 -179.511 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.564 HG11 HD11 ' A' ' 25' ' ' ILE . 33.3 m -118.31 155.38 20.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.267 -177.152 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.581 ' HG2' ' HB2' ' A' ' 12' ' ' LYS . 15.1 mm-40 -123.33 167.51 13.69 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 109.114 -0.699 . . . . 0.0 109.114 179.221 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 14.1 ptt180 -149.15 175.42 11.38 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 121.089 0.471 . . . . 0.0 110.792 177.399 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 7.3 mtpt -74.31 99.91 3.6 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.521 -0.763 . . . . 0.0 109.799 174.207 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 7.4 m-80 -86.72 -106.36 0.06 Allowed 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.097 -178.13 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 43.4 m . . . . . 0 C--O 1.247 0.956 0 CA-C-O 118.49 -0.766 . . . . 0.0 109.291 174.888 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.589 0 N-CA-C 111.741 -0.544 . . . . 0.0 111.741 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 17.8 m -110.08 89.4 3.01 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.189 0.518 . . . . 0.0 110.597 -179.864 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -137.91 150.1 46.78 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.216 179.622 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -144.69 -74.33 0.24 Allowed 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.904 -0.589 . . . . 0.0 109.727 175.577 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -138.02 101.17 4.35 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.316 176.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -120.77 146.41 46.54 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.676 -0.693 . . . . 0.0 109.558 -179.55 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 10.8 m -76.03 115.5 17.66 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-O 121.433 0.635 . . . . 0.0 111.427 -178.342 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 71.7 t -88.0 131.82 34.67 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.658 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.566 175.417 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.528 HG13 ' HA ' ' A' ' 60' ' ' ARG . 8.2 m -107.84 176.46 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.31 -1.119 0 CA-C-N 114.591 -1.186 . . . . 0.0 109.169 179.146 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 10.7 p -139.4 144.35 29.12 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.059 0 N-CA-C 109.897 -0.408 . . . . 0.0 109.897 -178.887 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.404 ' HB1' HD12 ' A' ' 25' ' ' ILE . . . -83.52 131.96 34.97 Favored 'General case' 0 C--N 1.314 -0.957 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.988 -179.669 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.549 ' HB2' ' HG3' ' A' ' 59' ' ' GLU . 39.0 ttpt -83.88 -38.76 20.72 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 109.759 -0.46 . . . . 0.0 109.759 178.733 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.508 ' CE2' ' HE3' ' A' ' 12' ' ' LYS . 70.6 m-85 -134.96 163.48 29.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.953 176.686 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -65.74 135.89 55.52 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.557 -0.747 . . . . 0.0 111.179 178.169 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . 0.621 ' HB3' ' CG1' ' A' ' 25' ' ' ILE . 12.3 t80 -136.78 111.45 8.7 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 121.116 0.484 . . . . 0.0 110.063 171.517 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 47.6 t -86.8 132.23 32.89 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 CA-C-N 115.761 -0.654 . . . . 0.0 109.834 177.412 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.45 ' HB3' ' HB2' ' A' ' 22' ' ' GLU . . . -93.47 159.81 15.08 Favored 'General case' 0 C--N 1.318 -0.763 0 N-CA-C 108.894 -0.78 . . . . 0.0 108.894 -178.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 6.9 tt0 -65.62 -45.86 81.47 Favored 'General case' 0 C--N 1.32 -0.68 0 C-N-CA 120.225 -0.59 . . . . 0.0 110.513 -179.377 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 45.1 mt-30 -150.37 -178.69 6.67 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.7 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -66.35 -9.47 33.65 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-N 115.798 -0.637 . . . . 0.0 111.321 179.684 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.494 ' HG3' ' HG2' ' A' ' 22' ' ' GLU . 2.6 pt20 -68.53 -23.47 64.53 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.85 -0.613 . . . . 0.0 110.656 177.705 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.494 ' HG2' ' HG3' ' A' ' 21' ' ' GLN . 73.5 mm-40 -113.48 -177.39 3.12 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.703 -0.68 . . . . 0.0 109.251 179.684 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.737 ' HG ' HG21 ' A' ' 43' ' ' VAL . 0.7 OUTLIER -103.46 127.18 50.89 Favored 'General case' 0 N--CA 1.445 -0.718 0 N-CA-C 109.12 -0.696 . . . . 0.0 109.12 -178.497 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.7 p-10 -100.26 134.37 43.3 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 108.646 -0.872 . . . . 0.0 108.646 176.692 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.621 ' CG1' ' HB3' ' A' ' 15' ' ' TYR . 1.3 pt -131.22 150.18 34.14 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.788 0 CA-C-O 121.198 0.523 . . . . 0.0 110.741 -177.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.437 ' HB3' ' HB2' ' A' ' 29' ' ' GLU . 24.1 tptp -114.03 154.14 28.19 Favored 'General case' 0 C--N 1.316 -0.86 0 N-CA-C 108.681 -0.859 . . . . 0.0 108.681 -178.306 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 87.1 tttt -59.01 123.37 16.36 Favored 'General case' 0 N--CA 1.449 -0.523 0 C-N-CA 120.327 -0.549 . . . . 0.0 109.604 176.657 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 65.2 t30 72.8 26.57 2.32 Favored 'General case' 0 N--CA 1.471 0.584 0 O-C-N 124.196 0.935 . . . . 0.0 111.222 -177.919 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.437 ' HB2' ' HB3' ' A' ' 26' ' ' LYS . 6.2 tp10 -93.96 139.59 30.74 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 173.745 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.594 ' O ' HD13 ' A' ' 31' ' ' LEU . 3.7 ptm180 -91.22 135.7 33.6 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 179.759 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.594 HD13 ' O ' ' A' ' 30' ' ' ARG . 1.7 mm? -124.11 163.79 20.76 Favored 'General case' 0 C--N 1.316 -0.874 0 N-CA-C 109.018 -0.734 . . . . 0.0 109.018 178.571 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . 0.519 ' HB2' ' HB3' ' A' ' 44' ' ' ARG . 23.4 m-90 -102.43 122.81 45.04 Favored 'General case' 0 C--N 1.311 -1.1 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 175.265 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.562 ' HA ' HG11 ' A' ' 43' ' ' VAL . 33.4 tp -93.41 111.47 23.14 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-O 121.025 0.441 . . . . 0.0 110.81 -176.598 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -98.35 -44.9 6.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.883 -0.599 . . . . 0.0 109.989 -179.866 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . 0.558 ' HB3' ' HB3' ' A' ' 42' ' ' ARG . 14.8 t70 -136.29 122.29 20.15 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.33 -177.121 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 9.2 p-10 -119.28 66.03 0.79 Allowed 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 109.029 -0.73 . . . . 0.0 109.029 173.895 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 10.0 t -52.38 -47.55 66.12 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.019 -0.991 . . . . 0.0 111.636 -175.204 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.441 ' HB3' ' H ' ' A' ' 39' ' ' SER . 0.0 OUTLIER -172.66 -84.74 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 109.584 -0.525 . . . . 0.0 109.584 175.234 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' SER . . . . . 0.441 ' H ' ' HB3' ' A' ' 38' ' ' LYS . 54.3 m -103.56 139.21 39.18 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.158 -0.474 . . . . 0.0 109.848 175.803 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' TRP . . . . . 0.576 ' HA ' ' O ' ' A' ' 53' ' ' VAL . 40.8 m95 65.35 99.12 0.04 OUTLIER 'General case' 0 N--CA 1.463 0.205 0 CA-C-O 121.65 0.738 . . . . 0.0 110.383 -176.581 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 32.9 m0 -91.82 149.32 21.65 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.357 -0.838 . . . . 0.0 111.117 -171.894 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.558 ' HB3' ' HB3' ' A' ' 35' ' ' ASP . 32.1 ttt180 -92.56 108.7 20.17 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.533 -0.758 . . . . 0.0 109.854 178.697 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.737 HG21 ' HG ' ' A' ' 23' ' ' LEU . 8.3 m -125.45 162.18 28.72 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.885 -174.699 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.519 ' HB3' ' HB2' ' A' ' 32' ' ' TRP . 46.9 ttp180 -111.87 125.25 53.83 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.049 -0.978 . . . . 0.0 109.376 175.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . 0.556 ' HB2' HD13 ' A' ' 23' ' ' LEU . 28.0 t-20 -85.39 172.95 10.65 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.238 -179.901 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 6.5 m -60.89 -27.51 68.21 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.845 179.449 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 14.5 tpt -81.17 8.15 9.5 Favored 'General case' 0 CA--C 1.534 0.356 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.649 179.004 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 30.6 m-80 69.42 16.3 8.27 Favored 'General case' 0 N--CA 1.471 0.609 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.414 175.409 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.406 ' O ' ' HA ' ' A' ' 44' ' ' ARG . 74.4 mmtt -80.85 167.25 20.13 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.084 -0.507 . . . . 0.0 109.957 176.366 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' THR . . . . . 0.445 ' HA ' HD23 ' A' ' 23' ' ' LEU . 4.0 m -142.9 153.4 43.08 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.624 0.25 . . . . 0.0 110.37 175.547 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . 0.412 ' O ' ' HA ' ' A' ' 42' ' ' ARG . . . 169.24 -170.22 42.42 Favored Glycine 0 N--CA 1.448 -0.524 0 N-CA-C 111.097 -0.801 . . . . 0.0 111.097 -178.883 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 56.8 m-85 -104.68 134.1 48.41 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.013 0.435 . . . . 0.0 111.082 -179.363 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.576 ' O ' ' HA ' ' A' ' 40' ' ' TRP . 22.0 m -121.25 146.85 45.6 Favored Pre-proline 0 C--N 1.323 -0.586 0 CA-C-N 115.494 -0.775 . . . . 0.0 111.278 -179.879 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . 0.597 ' HG2' ' HB2' ' A' ' 57' ' ' TYR . 37.0 Cg_endo -64.71 126.13 16.15 Favored 'Trans proline' 0 C--N 1.345 0.39 0 C-N-CA 123.138 2.559 . . . . 0.0 112.26 -179.609 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 12.2 m -65.53 -11.19 41.46 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.878 -0.601 . . . . 0.0 112.539 -174.57 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 14.0 m120 -93.22 -16.81 24.4 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.856 0.36 . . . . 0.0 111.284 -179.422 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . 0.597 ' HB2' ' HG2' ' A' ' 54' ' ' PRO . 71.9 m-85 -103.9 -20.67 13.82 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.965 0.412 . . . . 0.0 110.344 -179.214 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.596 HG12 HD11 ' A' ' 25' ' ' ILE . 31.5 m -109.51 156.18 10.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-N 116.002 -0.544 . . . . 0.0 109.836 176.312 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.549 ' HG3' ' HB2' ' A' ' 12' ' ' LYS . 17.3 mm-40 -136.2 148.08 47.95 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.113 0.482 . . . . 0.0 111.988 -173.481 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . 0.528 ' HA ' HG13 ' A' ' 9' ' ' VAL . 54.8 mtt180 -79.32 164.22 24.27 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.364 -0.834 . . . . 0.0 109.365 171.193 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 18.3 ptpt -72.89 124.53 25.6 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 109.731 -0.47 . . . . 0.0 109.731 175.488 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 13.5 m120 -83.91 99.21 10.22 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 109.978 -0.379 . . . . 0.0 109.978 179.372 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 50.7 m . . . . . 0 C--O 1.247 0.967 0 CA-C-O 118.855 -0.593 . . . . 0.0 110.266 179.449 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.403 ' CG1' ' HB2' ' A' ' 30' ' ' ARG . 42.5 t . . . . . 0 N--CA 1.449 -0.496 0 CA-C-O 121.546 0.688 . . . . 0.0 112.341 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.49 HG11 HD22 ' A' ' 33' ' ' LEU . 15.8 m -119.52 -173.4 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.784 0 CA-C-N 114.778 -1.101 . . . . 0.0 109.304 175.225 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 11.0 p -140.45 144.89 26.7 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.75 0 C-N-CA 120.431 -0.508 . . . . 0.0 110.85 -178.497 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.426 ' HB3' ' O ' ' A' ' 26' ' ' LYS . . . -87.54 146.08 25.94 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-O 121.229 0.538 . . . . 0.0 111.124 179.185 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 12.4 mmmm -94.0 -44.98 7.8 Favored 'General case' 0 C--N 1.316 -0.869 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.232 179.694 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 87.2 m-85 -136.99 157.08 47.55 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.637 -179.028 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -60.81 131.06 49.49 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.133 178.733 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' TYR . . . . . 0.603 ' HB3' HG13 ' A' ' 25' ' ' ILE . 43.8 t80 -134.55 111.39 10.03 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 116.139 -0.482 . . . . 0.0 109.815 173.886 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 41.3 t -80.86 140.0 17.27 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 CA-C-N 115.762 -0.654 . . . . 0.0 109.594 178.551 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.513 ' HB1' ' HB2' ' A' ' 22' ' ' GLU . . . -92.37 153.5 19.14 Favored 'General case' 0 N--CA 1.444 -0.73 0 N-CA-C 109.149 -0.686 . . . . 0.0 109.149 -179.27 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 46.7 tt0 -66.72 -62.83 1.25 Allowed 'General case' 0 C--N 1.315 -0.897 0 N-CA-C 109.773 -0.454 . . . . 0.0 109.773 178.628 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' GLN . . . . . 0.794 ' HB2' ' HG2' ' A' ' 21' ' ' GLN . 78.5 mm-40 -131.24 176.88 7.91 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.543 -0.753 . . . . 0.0 109.135 171.935 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 -66.07 -3.43 5.45 Favored 'General case' 0 N--CA 1.468 0.448 0 CA-C-O 121.143 0.497 . . . . 0.0 111.4 175.852 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.794 ' HG2' ' HB2' ' A' ' 19' ' ' GLN . 14.0 pt20 -70.28 -21.88 62.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.448 0.642 . . . . 0.0 109.474 171.564 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.513 ' HB2' ' HB1' ' A' ' 17' ' ' ALA . 12.3 mm-40 -108.46 -179.24 3.82 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.005 -0.998 . . . . 0.0 108.796 179.457 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.693 ' HG ' HG23 ' A' ' 43' ' ' VAL . 0.8 OUTLIER -108.69 127.88 54.37 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 109.643 -0.503 . . . . 0.0 109.643 178.532 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -99.56 134.16 42.85 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 109.514 -0.551 . . . . 0.0 109.514 176.55 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.674 HD13 HG12 ' A' ' 58' ' ' VAL . 1.1 pp -130.98 152.94 38.41 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-O 121.068 0.461 . . . . 0.0 110.612 -177.293 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.426 ' O ' ' HB3' ' A' ' 11' ' ' ALA . 19.2 tptp -116.56 150.85 37.32 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 109.145 -0.687 . . . . 0.0 109.145 -176.017 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 62.4 tttm -56.24 129.67 41.23 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.758 0.313 . . . . 0.0 111.331 -179.239 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 6.3 m120 65.18 15.7 10.15 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 115.448 -0.797 . . . . 0.0 112.382 177.358 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -93.78 148.43 22.13 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 109.886 -0.413 . . . . 0.0 109.886 -179.073 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.517 ' O ' HD13 ' A' ' 31' ' ' LEU . 17.0 ptt-85 -88.22 132.66 34.27 Favored 'General case' 0 C--N 1.316 -0.87 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.863 -176.698 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.517 HD13 ' O ' ' A' ' 30' ' ' ARG . 1.5 mm? -120.11 165.45 14.72 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 109.904 -0.406 . . . . 0.0 109.904 177.505 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 16.2 m-90 -102.63 124.47 48.24 Favored 'General case' 0 C--N 1.316 -0.887 0 N-CA-C 109.835 -0.432 . . . . 0.0 109.835 178.451 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.608 ' HA ' HG12 ' A' ' 43' ' ' VAL . 50.1 tp -100.56 127.2 47.01 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.092 0.472 . . . . 0.0 111.797 -172.355 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -108.3 -61.46 1.59 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.67 -0.695 . . . . 0.0 110.369 178.781 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' ASP . . . . . 0.629 ' HB2' ' HB3' ' A' ' 42' ' ' ARG . 2.7 m-20 . . . . . 0 C--N 1.328 -0.345 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.82 -179.127 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' TRP . . . . . 0.612 ' HB3' ' HB3' ' A' ' 52' ' ' PHE . 20.2 m95 . . . . . 0 N--CA 1.451 -0.377 0 CA-C-O 120.806 0.336 . . . . 0.0 110.15 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 47.2 m0 -80.31 143.49 33.58 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.314 0.578 . . . . 0.0 111.647 -175.951 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.629 ' HB3' ' HB2' ' A' ' 35' ' ' ASP . 45.6 ttt180 -95.59 107.86 20.08 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 115.157 -0.928 . . . . 0.0 109.538 179.459 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.693 HG23 ' HG ' ' A' ' 23' ' ' LEU . 6.4 m -131.43 165.42 31.68 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 CA-C-O 121.435 0.636 . . . . 0.0 112.182 -174.912 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.571 ' HG3' ' O ' ' A' ' 49' ' ' LYS . 28.3 ttm180 -124.71 137.12 54.36 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 114.596 -1.183 . . . . 0.0 108.812 172.898 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 30.3 p30 -100.89 -174.11 2.54 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-O 120.971 0.415 . . . . 0.0 111.61 -178.809 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 6.8 m -67.23 -17.11 64.67 Favored 'General case' 0 CA--C 1.531 0.216 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.896 177.712 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 14.5 tpt -82.95 11.62 5.93 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.939 -0.573 . . . . 0.0 109.82 179.706 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 6.5 p30 48.71 28.77 1.95 Allowed 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 124.469 1.108 . . . . 0.0 112.594 178.105 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.571 ' O ' ' HG3' ' A' ' 44' ' ' ARG . 69.0 mmtt -107.28 166.5 10.59 Favored 'General case' 0 N--CA 1.448 -0.552 0 N-CA-C 109.264 -0.643 . . . . 0.0 109.264 173.755 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' THR . . . . . 0.483 ' HA ' HD23 ' A' ' 23' ' ' LEU . 3.7 m -137.68 152.6 49.46 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 120.92 0.39 . . . . 0.0 110.731 -176.572 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 174.34 -163.75 34.57 Favored Glycine 0 N--CA 1.444 -0.792 0 CA-C-N 115.75 -0.659 . . . . 0.0 111.527 -178.488 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.612 ' HB3' ' HB3' ' A' ' 40' ' ' TRP . 11.9 m-30 -105.9 143.44 34.03 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 120.806 0.336 . . . . 0.0 110.321 -179.727 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.51 HG13 ' HB3' ' A' ' 23' ' ' LEU . 16.1 m -128.13 150.52 74.1 Favored Pre-proline 0 C--N 1.322 -0.602 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.671 178.958 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' PRO . . . . . 0.468 ' O ' HG22 ' A' ' 58' ' ' VAL . 64.4 Cg_endo -73.51 130.3 14.76 Favored 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 123.46 2.773 . . . . 0.0 112.529 179.024 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 11.9 p -67.35 -11.84 58.67 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.905 -0.589 . . . . 0.0 112.186 -176.947 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 85.7 m-20 -80.36 -20.03 45.07 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.761 0.315 . . . . 0.0 111.024 178.283 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 92.0 m-85 -109.4 -17.04 13.88 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.147 -178.388 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.674 HG12 HD13 ' A' ' 25' ' ' ILE . 20.5 m -128.41 148.11 32.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-O 120.513 0.197 . . . . 0.0 111.028 -178.794 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 57.8 mt-10 . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.043 178.755 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 37.8 t . . . . . 0 N--CA 1.453 -0.318 0 CA-C-O 121.204 0.526 . . . . 0.0 111.289 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.58 HG11 HD22 ' A' ' 33' ' ' LEU . 19.0 m -105.02 175.88 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 CA-C-N 115.091 -0.959 . . . . 0.0 109.317 176.829 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 12.3 p -135.47 154.71 35.63 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.928 0 N-CA-C 109.641 -0.503 . . . . 0.0 109.641 -178.915 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.409 ' HA ' ' HA ' ' A' ' 58' ' ' VAL . . . -100.36 146.79 26.55 Favored 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 112.184 0.438 . . . . 0.0 112.184 -177.107 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.654 ' HG2' ' HG2' ' A' ' 59' ' ' GLU . 62.8 mmtt -79.67 -55.71 4.82 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.911 176.192 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 83.8 m-85 -136.85 161.76 35.09 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.411 -0.359 . . . . 0.0 111.473 -175.091 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -50.75 129.53 23.11 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-N 115.398 -0.819 . . . . 0.0 112.569 176.739 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' TYR . . . . . 0.58 ' HB3' HG13 ' A' ' 25' ' ' ILE . 7.0 t80 -136.49 109.54 7.71 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 109.295 -0.631 . . . . 0.0 109.295 167.457 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.402 ' HA ' ' OD1' ' A' ' 24' ' ' ASP . 65.9 t -93.38 129.96 43.08 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.652 0 CA-C-N 115.777 -0.647 . . . . 0.0 109.923 -179.347 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -89.13 125.97 35.26 Favored 'General case' 0 C--N 1.316 -0.869 0 N-CA-C 109.407 -0.59 . . . . 0.0 109.407 179.786 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 2.5 tt0 -64.7 -26.85 68.55 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.226 0.536 . . . . 0.0 110.519 -178.327 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 25.7 mm-40 -134.42 143.93 47.87 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.796 -0.638 . . . . 0.0 109.482 175.784 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.434 ' OE2' ' HE3' ' A' ' 49' ' ' LYS . 47.7 mt-10 -70.53 -1.84 12.21 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 111.893 0.331 . . . . 0.0 111.893 -179.524 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 7.4 pt20 -62.92 -27.48 69.4 Favored 'General case' 0 CA--C 1.532 0.275 0 N-CA-C 109.15 -0.685 . . . . 0.0 109.15 172.639 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.403 ' HA ' ' HA3' ' A' ' 51' ' ' GLY . 73.3 mm-40 -101.47 -176.89 3.27 Favored 'General case' 0 N--CA 1.453 -0.279 0 CA-C-N 115.161 -0.927 . . . . 0.0 109.513 178.192 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.888 ' HG ' HG23 ' A' ' 43' ' ' VAL . 0.7 OUTLIER -103.15 128.34 50.12 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-O 121.286 0.565 . . . . 0.0 110.096 -176.959 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 24' ' ' ASP . . . . . 0.402 ' OD1' ' HA ' ' A' ' 16' ' ' VAL . 16.0 t70 -96.89 127.1 42.53 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.57 -0.741 . . . . 0.0 110.266 179.545 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.706 HD13 HG12 ' A' ' 58' ' ' VAL . 1.0 OUTLIER -132.3 160.32 42.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 121.174 0.512 . . . . 0.0 111.315 -175.805 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.527 ' HB3' ' HB2' ' A' ' 29' ' ' GLU . 2.8 tppp? -128.54 160.29 32.81 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 109.444 -0.576 . . . . 0.0 109.444 -176.271 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.431 ' HG3' ' O ' ' A' ' 12' ' ' LYS . 83.8 tttt -55.8 124.81 18.76 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-N 117.819 0.281 . . . . 0.0 110.548 176.052 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 6.4 t30 66.43 22.51 10.71 Favored 'General case' 0 N--CA 1.466 0.367 0 CA-C-N 115.543 -0.753 . . . . 0.0 110.977 177.533 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.527 ' HB2' ' HB3' ' A' ' 26' ' ' LYS . 10.1 tp10 -88.96 144.9 25.85 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 109.821 -0.437 . . . . 0.0 109.821 177.43 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.611 ' O ' HD13 ' A' ' 31' ' ' LEU . 5.2 ptp85 -92.97 132.35 37.15 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 116.451 -0.34 . . . . 0.0 110.27 -177.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.611 HD13 ' O ' ' A' ' 30' ' ' ARG . 1.8 mm? -124.83 165.51 17.89 Favored 'General case' 0 C--N 1.322 -0.629 0 C-N-CA 120.755 -0.378 . . . . 0.0 110.205 178.97 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 19.6 m-90 -102.61 122.88 45.28 Favored 'General case' 0 C--N 1.319 -0.76 0 N-CA-C 109.758 -0.46 . . . . 0.0 109.758 176.766 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.58 HD22 HG11 ' A' ' 9' ' ' VAL . 35.7 tp -102.1 128.12 48.71 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.042 0.449 . . . . 0.0 111.644 -172.617 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.411 HD22 ' N ' ' A' ' 34' ' ' LEU . 1.9 mm? -109.9 -48.57 3.19 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.198 179.609 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' ASP . . . . . 0.595 ' HB2' ' HB3' ' A' ' 42' ' ' ARG . 7.3 m-20 . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.664 -177.888 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 71.5 m95 . . . . . 0 CA--C 1.518 -0.28 0 CA-C-O 121.112 0.482 . . . . 0.0 110.39 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 50.6 m0 -80.72 142.37 33.92 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.457 -0.792 . . . . 0.0 111.499 -175.047 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.595 ' HB3' ' HB2' ' A' ' 35' ' ' ASP . 42.2 ttt180 -95.26 111.38 23.25 Favored 'General case' 0 C--N 1.317 -0.832 0 CA-C-N 114.952 -1.022 . . . . 0.0 109.675 -176.454 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.888 HG23 ' HG ' ' A' ' 23' ' ' LEU . 3.9 m -132.73 168.17 24.85 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-O 121.4 0.619 . . . . 0.0 112.502 -173.351 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 39.5 ttm180 -130.29 135.31 47.96 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 114.545 -1.207 . . . . 0.0 108.666 174.458 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' ASN . . . . . 0.543 ' HB3' HD11 ' A' ' 23' ' ' LEU . 33.1 p30 -98.3 179.26 4.79 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 121.037 0.446 . . . . 0.0 111.54 -178.785 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 18.4 m -69.76 -8.61 49.55 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.671 -0.695 . . . . 0.0 111.428 -178.204 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' MET . . . . . 0.544 ' HA ' ' CE ' ' A' ' 47' ' ' MET . 2.7 tpt -91.23 4.69 51.64 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.069 0.461 . . . . 0.0 109.88 177.292 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 32.9 m-80 72.02 8.39 5.95 Favored 'General case' 0 N--CA 1.468 0.426 0 CA-C-N 115.325 -0.852 . . . . 0.0 111.476 173.094 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.434 ' HE3' ' OE2' ' A' ' 20' ' ' GLU . 74.6 mmtt -83.98 160.08 21.11 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 108.593 -0.892 . . . . 0.0 108.593 174.952 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 50' ' ' THR . . . . . 0.511 ' HA ' HD23 ' A' ' 23' ' ' LEU . 3.4 m -135.65 152.46 51.23 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 110.041 -0.355 . . . . 0.0 110.041 -179.295 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' GLY . . . . . 0.403 ' HA3' ' HA ' ' A' ' 22' ' ' GLU . . . 171.38 -165.48 38.49 Favored Glycine 0 N--CA 1.451 -0.309 0 N-CA-C 111.528 -0.629 . . . . 0.0 111.528 -178.501 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 99.8 m-85 -107.82 152.3 24.57 Favored 'General case' 0 N--CA 1.452 -0.356 0 CA-C-O 121.122 0.487 . . . . 0.0 110.578 -179.8 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.461 HG13 ' HB3' ' A' ' 23' ' ' LEU . 23.6 m -133.65 150.72 75.6 Favored Pre-proline 0 C--N 1.322 -0.609 0 CA-C-N 115.719 -0.673 . . . . 0.0 111.399 179.301 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 58.6 Cg_endo -71.32 123.86 9.92 Favored 'Trans proline' 0 N--CA 1.464 -0.26 0 C-N-CA 123.165 2.576 . . . . 0.0 111.856 176.974 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 9.3 p -60.94 -22.5 64.46 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.141 0.496 . . . . 0.0 111.464 -178.816 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 14.3 m120 -69.28 -22.14 63.84 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.511 -179.216 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 83.7 m-85 -113.26 -2.1 14.14 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 111.804 0.298 . . . . 0.0 111.804 -175.535 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.706 HG12 HD13 ' A' ' 25' ' ' ILE . 27.4 m -128.8 171.18 17.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-O 120.622 0.249 . . . . 0.0 111.21 -177.507 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.654 ' HG2' ' HG2' ' A' ' 12' ' ' LYS . 13.4 mm-40 . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.616 -179.892 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.523 ' CG1' ' HB2' ' A' ' 30' ' ' ARG . 48.7 t . . . . . 0 N--CA 1.448 -0.556 0 CA-C-O 121.461 0.648 . . . . 0.0 112.092 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 12.7 m -107.94 -177.17 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.676 0 CA-C-N 114.707 -1.133 . . . . 0.0 108.866 174.435 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 13.7 p -140.9 147.84 22.29 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.662 0 O-C-N 121.954 -0.466 . . . . 0.0 110.608 -177.798 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.413 ' HB3' ' O ' ' A' ' 26' ' ' LYS . . . -89.36 145.92 25.03 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 120.887 0.375 . . . . 0.0 111.641 -178.025 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.693 ' HB2' ' HG3' ' A' ' 59' ' ' GLU . 16.7 tptm -90.03 -45.58 9.07 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.367 -178.757 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 79.3 m-85 -134.71 160.88 36.76 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.66 178.083 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 31.8 m-20 -63.09 131.3 48.09 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.733 -0.667 . . . . 0.0 111.699 179.66 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' TYR . . . . . 0.529 ' HB3' ' CG1' ' A' ' 25' ' ' ILE . 35.6 t80 -136.23 110.34 8.32 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.02 0.438 . . . . 0.0 110.107 170.835 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 39.9 t -96.17 127.96 47.8 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.772 0 N-CA-C 109.529 -0.545 . . . . 0.0 109.529 177.913 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.589 ' HB1' ' HG3' ' A' ' 22' ' ' GLU . . . -81.61 169.5 16.97 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 109.306 -0.627 . . . . 0.0 109.306 -177.639 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 10.1 mt-30 -90.24 -33.59 16.1 Favored 'General case' 0 C--N 1.316 -0.866 0 CA-C-O 121.161 0.505 . . . . 0.0 110.544 -177.389 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' GLN . . . . . 0.648 ' HB3' ' HG2' ' A' ' 21' ' ' GLN . 6.0 tp60 -140.13 158.92 43.28 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.434 -0.803 . . . . 0.0 109.274 -178.711 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -72.48 -3.61 25.43 Favored 'General case' 0 CA--C 1.535 0.394 0 C-N-CA 120.599 -0.44 . . . . 0.0 111.383 -179.061 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.648 ' HG2' ' HB3' ' A' ' 19' ' ' GLN . 13.3 pt20 -66.75 -25.69 66.62 Favored 'General case' 0 N--CA 1.463 0.187 0 CA-C-O 121.285 0.564 . . . . 0.0 109.835 174.751 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.589 ' HG3' ' HB1' ' A' ' 17' ' ' ALA . 1.2 pt-20 -108.64 179.61 4.14 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.041 -0.981 . . . . 0.0 108.956 176.419 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.543 HD11 ' HB2' ' A' ' 45' ' ' ASN . 0.6 OUTLIER -104.92 128.75 53.29 Favored 'General case' 0 C--N 1.322 -0.623 0 C-N-CA 120.339 -0.544 . . . . 0.0 109.924 -173.944 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.3 p-10 -100.37 134.09 43.83 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 109.522 -0.547 . . . . 0.0 109.522 175.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.721 HD13 HG12 ' A' ' 58' ' ' VAL . 1.0 OUTLIER -129.16 163.11 35.13 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.742 0 CA-C-O 120.954 0.406 . . . . 0.0 110.561 -175.978 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.595 ' HB3' ' HB2' ' A' ' 29' ' ' GLU . 33.8 tptt -125.84 153.68 43.76 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 108.883 -0.784 . . . . 0.0 108.883 -178.179 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.403 ' HG3' ' O ' ' A' ' 12' ' ' LYS . 79.0 tttt -59.27 129.49 42.32 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.592 0.234 . . . . 0.0 110.554 178.796 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 7.4 t30 67.71 14.45 9.5 Favored 'General case' 0 N--CA 1.467 0.408 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.984 177.548 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.595 ' HB2' ' HB3' ' A' ' 26' ' ' LYS . 9.2 tp10 -91.55 151.61 20.66 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 109.562 -0.532 . . . . 0.0 109.562 -179.789 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.62 ' O ' HD13 ' A' ' 31' ' ' LEU . 4.4 ptp180 -87.94 141.24 28.74 Favored 'General case' 0 C--N 1.314 -0.939 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.355 -177.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.62 HD13 ' O ' ' A' ' 30' ' ' ARG . 2.5 mm? -128.82 166.12 19.66 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 109.037 -0.727 . . . . 0.0 109.037 173.613 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' TRP . . . . . 0.416 ' HE3' ' O ' ' A' ' 44' ' ' ARG . 19.2 m-90 -104.52 115.92 31.19 Favored 'General case' 0 C--N 1.315 -0.932 0 N-CA-C 109.394 -0.595 . . . . 0.0 109.394 174.973 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.547 ' HA ' HG12 ' A' ' 43' ' ' VAL . 36.0 tp -92.55 115.81 28.44 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 120.963 0.411 . . . . 0.0 110.788 -175.219 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.418 ' HB2' ' HD2' ' A' ' 42' ' ' ARG . 1.6 mm? -93.0 -55.1 3.47 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.628 -0.715 . . . . 0.0 110.044 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 . . . . . 0 C--N 1.328 -0.351 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.149 -179.177 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 40' ' ' TRP . . . . . 0.467 ' HB3' ' HB3' ' A' ' 52' ' ' PHE . 26.7 m0 . . . . . 0 N--CA 1.451 -0.392 0 N-CA-C 109.028 -0.731 . . . . 0.0 109.028 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 35.0 m0 -95.63 124.96 39.9 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 120.636 0.255 . . . . 0.0 110.521 -179.334 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.418 ' HD2' ' HB2' ' A' ' 34' ' ' LEU . 16.6 ttm180 -83.08 106.91 15.27 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 109.563 -0.532 . . . . 0.0 109.563 176.794 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.547 HG12 ' HA ' ' A' ' 33' ' ' LEU . 4.4 m -128.28 160.95 37.72 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.82 0 CA-C-N 115.821 -0.627 . . . . 0.0 111.438 -177.773 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.442 ' HG3' ' O ' ' A' ' 49' ' ' LYS . 44.4 ttm180 -125.12 131.2 53.31 Favored 'General case' 0 C--N 1.316 -0.891 0 CA-C-N 115.069 -0.969 . . . . 0.0 109.349 176.756 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' ASN . . . . . 0.543 ' HB2' HD11 ' A' ' 23' ' ' LEU . 19.1 t-20 -95.62 179.92 4.96 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 108.406 -0.961 . . . . 0.0 108.406 176.709 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 9.8 p -70.49 -7.62 44.93 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.069 0.461 . . . . 0.0 111.373 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' MET . . . . . 0.44 ' C ' ' H ' ' A' ' 49' ' ' LYS . 45.8 tpp -78.51 6.58 8.29 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.759 178.653 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 14.2 m120 74.99 -20.72 0.32 Allowed 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 123.686 0.795 . . . . 0.0 111.279 177.382 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.442 ' O ' ' HG3' ' A' ' 44' ' ' ARG . 27.7 mmmt -72.99 162.34 29.62 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.991 -177.474 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' THR . . . . . 0.522 ' HA ' HD23 ' A' ' 23' ' ' LEU . 4.3 m -142.47 155.02 45.03 Favored 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 109.208 -0.664 . . . . 0.0 109.208 -178.329 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' GLY . . . . . 0.414 ' O ' ' HA ' ' A' ' 42' ' ' ARG . . . 179.32 -165.87 34.93 Favored Glycine 0 N--CA 1.443 -0.853 0 C-N-CA 120.77 -0.729 . . . . 0.0 111.729 179.872 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.467 ' HB3' ' HB3' ' A' ' 40' ' ' TRP . 97.3 m-85 -109.3 127.66 54.47 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 120.81 0.338 . . . . 0.0 110.201 179.894 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.443 HG13 ' HB3' ' A' ' 23' ' ' LEU . 30.1 m -113.48 155.43 44.77 Favored Pre-proline 0 C--N 1.319 -0.726 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.96 178.92 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 54' ' ' PRO . . . . . 0.501 ' O ' HG22 ' A' ' 58' ' ' VAL . 49.3 Cg_endo -69.16 127.82 15.64 Favored 'Trans proline' 0 C--O 1.233 0.245 0 C-N-CA 123.21 2.606 . . . . 0.0 112.76 178.715 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 45.2 t -67.33 -11.62 58.09 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.316 -179.852 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 11.2 t30 -80.08 -23.93 40.95 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.807 0.337 . . . . 0.0 111.1 178.574 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' TYR . . . . . 0.435 ' HB2' ' HG2' ' A' ' 54' ' ' PRO . 87.6 m-85 -107.33 -22.18 12.68 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 111.689 0.255 . . . . 0.0 111.689 -175.799 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.721 HG12 HD13 ' A' ' 25' ' ' ILE . 34.3 m -111.53 153.09 13.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 N-CA-C 110.309 -0.256 . . . . 0.0 110.309 177.565 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.693 ' HG3' ' HB2' ' A' ' 12' ' ' LYS . 27.7 mt-10 . . . . . 0 C--N 1.326 -0.452 0 CA-C-O 121.308 0.575 . . . . 0.0 111.169 -179.048 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 64.2 t . . . . . 0 N--CA 1.45 -0.436 0 CA-C-O 121.459 0.647 . . . . 0.0 111.639 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.557 HG11 HD22 ' A' ' 33' ' ' LEU . 12.7 m -118.0 -171.22 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.803 0 CA-C-N 114.709 -1.132 . . . . 0.0 109.227 178.211 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 13.2 p -141.26 148.54 21.21 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.687 0 O-C-N 121.928 -0.482 . . . . 0.0 110.513 179.412 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.503 ' HB1' HD12 ' A' ' 25' ' ' ILE . . . -88.03 145.36 26.02 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.88 0.371 . . . . 0.0 111.586 -179.285 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.66 ' HB2' ' HG2' ' A' ' 59' ' ' GLU . 16.9 tptm -90.19 -47.38 7.83 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.085 -178.694 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 82.7 m-85 -138.85 157.87 45.25 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.625 178.977 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' ASP . . . . . 0.521 ' OD2' ' HD2' ' A' ' 26' ' ' LYS . 1.9 m-20 -51.31 129.96 25.89 Favored 'General case' 0 N--CA 1.465 0.314 0 N-CA-C 112.655 0.613 . . . . 0.0 112.655 176.541 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' TYR . . . . . 0.641 ' HB3' ' CG1' ' A' ' 25' ' ' ILE . 55.3 t80 -135.73 115.11 12.58 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.905 -0.588 . . . . 0.0 109.486 169.218 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 47.1 t -93.92 126.19 46.39 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.749 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.844 -176.959 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.644 ' HB1' ' HB2' ' A' ' 22' ' ' GLU . . . -84.23 150.93 25.13 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 108.512 -0.922 . . . . 0.0 108.512 174.137 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -90.04 -31.11 17.32 Favored 'General case' 0 C--N 1.319 -0.718 0 C-N-CA 120.525 -0.47 . . . . 0.0 110.433 -178.563 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' GLN . . . . . 0.478 ' HB2' ' HG2' ' A' ' 21' ' ' GLN . 16.9 mp0 -135.37 165.12 26.19 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.437 177.376 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.425 ' HB3' ' HD2' ' A' ' 49' ' ' LYS . 59.3 mt-10 -71.89 -3.25 21.35 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.514 178.735 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.478 ' HG2' ' HB2' ' A' ' 19' ' ' GLN . 11.2 pt20 -77.79 -11.7 59.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.788 0.804 . . . . 0.0 109.316 174.68 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.644 ' HB2' ' HB1' ' A' ' 17' ' ' ALA . 26.9 mt-10 -115.47 175.93 5.3 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 114.671 -1.15 . . . . 0.0 108.502 -179.436 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.966 ' HG ' HG23 ' A' ' 43' ' ' VAL . 0.6 OUTLIER -105.48 128.15 53.39 Favored 'General case' 0 C--N 1.319 -0.726 0 C-N-CA 120.25 -0.58 . . . . 0.0 109.897 -178.151 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -98.92 128.71 45.16 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 109.572 -0.529 . . . . 0.0 109.572 178.551 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.807 HD13 HG12 ' A' ' 58' ' ' VAL . 1.0 OUTLIER -131.57 151.09 34.88 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-O 121.523 0.678 . . . . 0.0 111.266 -178.411 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.58 ' HB3' ' HB2' ' A' ' 29' ' ' GLU . 49.4 tptt -117.02 149.84 39.61 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 115.311 -0.859 . . . . 0.0 108.718 -179.275 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 86.8 tttt -55.48 125.43 20.93 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 110.011 -0.366 . . . . 0.0 110.011 175.968 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 10.0 t30 75.19 12.9 3.27 Favored 'General case' 0 N--CA 1.473 0.691 0 O-C-N 124.03 0.831 . . . . 0.0 111.482 178.438 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.58 ' HB2' ' HB3' ' A' ' 26' ' ' LYS . 12.4 tp10 -89.68 144.12 26.25 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 109.568 -0.53 . . . . 0.0 109.568 -179.36 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.86 HH11 ' HG2' ' A' ' 30' ' ' ARG . 0.0 OUTLIER -87.59 138.87 31.09 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 109.509 -0.552 . . . . 0.0 109.509 179.72 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.478 HD13 ' O ' ' A' ' 30' ' ' ARG . 2.3 mm? -122.5 166.95 13.96 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 109.079 -0.711 . . . . 0.0 109.079 175.326 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' TRP . . . . . 0.455 ' HB2' ' HB3' ' A' ' 44' ' ' ARG . 11.7 m-90 -102.65 126.06 49.61 Favored 'General case' 0 C--N 1.316 -0.881 0 N-CA-C 109.127 -0.694 . . . . 0.0 109.127 175.352 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.557 ' HA ' HG12 ' A' ' 43' ' ' VAL . 46.7 tp -100.51 125.67 46.87 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-O 120.933 0.397 . . . . 0.0 112.037 -171.826 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -106.7 -36.01 6.84 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.728 178.8 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 14.7 t70 . . . . . 0 C--N 1.328 -0.34 0 CA-C-O 120.622 0.249 . . . . 0.0 110.843 176.606 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 108.455 -0.943 . . . . 0.0 108.455 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' TRP . . . . . 0.51 ' O ' ' HA ' ' A' ' 52' ' ' PHE . 52.4 m0 -82.97 141.74 31.9 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 112.077 0.399 . . . . 0.0 112.077 -170.863 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 37.0 ttm-85 -91.16 115.69 28.22 Favored 'General case' 0 C--O 1.238 0.477 0 CA-C-N 116.226 -0.443 . . . . 0.0 109.9 174.622 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.966 HG23 ' HG ' ' A' ' 23' ' ' LEU . 5.7 m -133.26 166.76 28.31 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.745 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.392 -179.301 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.455 ' HB3' ' HB2' ' A' ' 32' ' ' TRP . 59.4 ttp180 -124.78 125.76 44.54 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.132 -0.94 . . . . 0.0 109.246 176.806 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' ASN . . . . . 0.482 ' H ' HD21 ' A' ' 23' ' ' LEU . 53.6 t30 -84.6 170.87 12.94 Favored 'General case' 0 C--N 1.318 -0.779 0 N-CA-C 110.102 -0.333 . . . . 0.0 110.102 -179.181 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 20.2 t -67.18 -20.39 65.72 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.106 0.479 . . . . 0.0 110.29 -178.537 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' MET . . . . . 0.481 ' HA ' ' CE ' ' A' ' 47' ' ' MET . 3.0 tpt -80.29 6.7 11.27 Favored 'General case' 0 CA--C 1.532 0.255 0 CA-C-O 121.113 0.482 . . . . 0.0 110.084 177.394 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 29.9 m-80 69.59 12.47 8.15 Favored 'General case' 0 N--CA 1.468 0.469 0 CA-C-N 115.645 -0.707 . . . . 0.0 111.628 174.277 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.425 ' HD2' ' HB3' ' A' ' 20' ' ' GLU . 71.7 mmtt -82.38 156.03 24.4 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 108.774 -0.825 . . . . 0.0 108.774 175.087 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' THR . . . . . 0.42 ' HA ' HD23 ' A' ' 23' ' ' LEU . 1.9 m -131.44 152.19 50.89 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 120.866 0.365 . . . . 0.0 110.745 179.124 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 172.39 -161.01 32.54 Favored Glycine 0 N--CA 1.446 -0.674 0 N-CA-C 111.33 -0.708 . . . . 0.0 111.33 -179.715 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.51 ' HA ' ' O ' ' A' ' 41' ' ' TRP . 93.8 m-85 -118.63 147.84 43.33 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 109.733 -0.469 . . . . 0.0 109.733 179.757 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.582 HG23 HG21 ' A' ' 58' ' ' VAL . 13.9 m -130.55 150.72 77.11 Favored Pre-proline 0 C--N 1.321 -0.666 0 CA-C-N 116.129 -0.487 . . . . 0.0 112.221 -176.772 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 54' ' ' PRO . . . . . 0.585 ' HG2' ' HB2' ' A' ' 57' ' ' TYR . 30.3 Cg_endo -63.97 122.23 10.19 Favored 'Trans proline' 0 C--N 1.345 0.371 0 C-N-CA 123.515 2.81 . . . . 0.0 112.468 177.788 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 46.7 t -63.77 -12.86 39.01 Favored 'General case' 0 CA--C 1.534 0.36 0 CA-C-N 116.113 -0.494 . . . . 0.0 112.262 -175.69 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 5.0 m-20 -88.72 -21.97 23.59 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 122.22 -0.3 . . . . 0.0 111.522 179.022 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' TYR . . . . . 0.585 ' HB2' ' HG2' ' A' ' 54' ' ' PRO . 83.9 m-85 -102.38 -16.65 16.16 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.812 0.339 . . . . 0.0 111.046 -177.496 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.807 HG12 HD13 ' A' ' 25' ' ' ILE . 35.4 m -116.27 151.11 18.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-O 120.936 0.398 . . . . 0.0 110.548 177.785 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.66 ' HG2' ' HB2' ' A' ' 12' ' ' LYS . 5.8 mm-40 . . . . . 0 C--N 1.322 -0.59 0 CA-C-N 115.716 -0.675 . . . . 0.0 109.619 -177.606 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 54.6 t . . . . . 0 CA--C 1.517 -0.306 0 CA-C-O 121.705 0.764 . . . . 0.0 111.409 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.568 ' HB ' ' O ' ' A' ' 59' ' ' GLU . 17.3 m -111.54 177.95 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.316 -0.869 0 CA-C-N 114.565 -1.198 . . . . 0.0 109.418 178.796 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.441 ' HA ' ' HA ' ' A' ' 30' ' ' ARG . 9.6 p -140.95 138.96 34.38 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.791 0 CA-C-O 121.1 0.476 . . . . 0.0 110.382 179.846 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.467 ' HA ' ' HA ' ' A' ' 58' ' ' VAL . . . -87.67 142.81 27.55 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.787 -178.551 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.491 ' O ' ' HG3' ' A' ' 27' ' ' LYS . 0.1 OUTLIER -89.08 -40.47 12.92 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.647 -179.481 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 66.4 m-85 -129.73 152.97 48.65 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.053 0.454 . . . . 0.0 111.655 -179.507 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' ASP . . . . . 0.424 ' OD1' ' HG3' ' A' ' 26' ' ' LYS . 12.6 m-20 -59.65 133.33 56.0 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.26 -0.882 . . . . 0.0 111.781 179.237 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' TYR . . . . . 0.605 ' HB3' ' CG1' ' A' ' 25' ' ' ILE . 42.7 t80 -135.76 111.77 9.58 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 109.655 -0.498 . . . . 0.0 109.655 172.106 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 57.3 t -82.02 133.01 30.11 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.378 -179.202 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.55 ' HB1' ' HB2' ' A' ' 22' ' ' GLU . . . -84.18 130.6 34.83 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 109.172 -0.677 . . . . 0.0 109.172 178.227 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 70.4 mt-30 -65.93 -44.98 83.51 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-O 120.883 0.373 . . . . 0.0 110.881 -177.896 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' GLN . . . . . 0.672 ' HB2' ' HG2' ' A' ' 21' ' ' GLN . 27.3 mm-40 -140.57 173.54 11.4 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 177.809 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -71.52 -3.17 19.77 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.784 0.326 . . . . 0.0 111.064 -179.808 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.672 ' HG2' ' HB2' ' A' ' 19' ' ' GLN . 13.0 pt20 -71.94 -24.84 61.68 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 121.484 0.659 . . . . 0.0 109.639 171.237 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.55 ' HB2' ' HB1' ' A' ' 17' ' ' ALA . 3.4 mm-40 -98.4 177.28 5.4 Favored 'General case' 0 N--CA 1.448 -0.565 0 CA-C-N 114.947 -1.024 . . . . 0.0 108.839 -178.051 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.811 ' HG ' HG23 ' A' ' 43' ' ' VAL . 1.3 tm? -108.55 128.54 54.91 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 108.501 -0.926 . . . . 0.0 108.501 175.671 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 3.5 p-10 -94.55 128.99 41.52 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.197 0.522 . . . . 0.0 110.13 -179.532 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.766 HD13 HG12 ' A' ' 58' ' ' VAL . 1.0 OUTLIER -132.66 171.99 17.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.482 -179.484 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.539 ' HB3' ' HB2' ' A' ' 29' ' ' GLU . 0.0 OUTLIER -140.39 165.56 27.1 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 109.559 -0.534 . . . . 0.0 109.559 -175.606 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.491 ' HG3' ' O ' ' A' ' 12' ' ' LYS . 84.4 tttt -65.49 126.43 28.26 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 109.489 -0.56 . . . . 0.0 109.489 173.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 68.05 27.07 7.1 Favored 'General case' 0 N--CA 1.468 0.442 0 CA-C-O 121.358 0.599 . . . . 0.0 109.921 -179.582 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.539 ' HB2' ' HB3' ' A' ' 26' ' ' LYS . 4.8 tp10 -96.82 131.23 43.76 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 109.08 -0.711 . . . . 0.0 109.08 177.367 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.556 ' O ' HD13 ' A' ' 31' ' ' LEU . 15.4 ptt180 -92.14 130.66 37.81 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 120.976 0.417 . . . . 0.0 110.269 179.594 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.556 HD13 ' O ' ' A' ' 30' ' ' ARG . 1.3 mm? -122.14 165.75 15.63 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 116.011 -0.541 . . . . 0.0 109.705 -177.558 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 19.9 m-90 -99.66 121.2 40.88 Favored 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 109.871 -0.418 . . . . 0.0 109.871 178.483 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.628 ' HA ' HG12 ' A' ' 43' ' ' VAL . 44.8 tp -98.47 125.5 43.69 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.175 0.512 . . . . 0.0 111.502 -174.275 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -103.32 -52.69 2.96 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.219 179.498 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' ASP . . . . . 0.492 ' OD2' ' HD3' ' A' ' 42' ' ' ARG . 26.5 m-20 . . . . . 0 C--N 1.331 -0.198 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.804 -178.575 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' TRP . . . . . 0.428 ' CB ' ' HB3' ' A' ' 52' ' ' PHE . 11.0 m0 . . . . . 0 C--O 1.232 0.165 0 N-CA-C 109.89 -0.411 . . . . 0.0 109.89 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 45.4 m0 -74.69 139.55 43.57 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 121.295 0.569 . . . . 0.0 111.085 -175.003 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.492 ' HD3' ' OD2' ' A' ' 35' ' ' ASP . 33.3 ttt180 -97.86 108.31 20.99 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.308 -0.86 . . . . 0.0 109.93 -175.637 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.811 HG23 ' HG ' ' A' ' 23' ' ' LEU . 5.0 m -132.91 164.43 35.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-O 121.449 0.642 . . . . 0.0 112.441 -174.078 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.556 ' HG2' ' O ' ' A' ' 49' ' ' LYS . 0.3 OUTLIER -131.8 127.53 36.85 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 107.821 -1.177 . . . . 0.0 107.821 175.206 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 45' ' ' ASN . . . . . 0.664 ' HB3' HD11 ' A' ' 23' ' ' LEU . 39.7 p-10 -103.39 -175.62 2.85 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 121.082 0.468 . . . . 0.0 111.88 -170.326 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 5.4 p -71.41 -15.08 62.34 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-N 115.831 -0.622 . . . . 0.0 111.882 -178.167 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' MET . . . . . 0.442 ' HG3' ' HG2' ' A' ' 49' ' ' LYS . 16.9 tpt -78.56 -1.85 35.98 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.196 0.522 . . . . 0.0 109.803 176.525 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 25.6 m-80 70.08 21.17 6.17 Favored 'General case' 0 N--CA 1.463 0.18 0 CA-C-N 115.272 -0.876 . . . . 0.0 110.726 176.218 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.556 ' O ' ' HG2' ' A' ' 44' ' ' ARG . 75.3 mmtt -102.1 167.36 10.07 Favored 'General case' 0 N--CA 1.449 -0.504 0 N-CA-C 109.569 -0.53 . . . . 0.0 109.569 177.631 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 50' ' ' THR . . . . . 0.446 ' HA ' HD23 ' A' ' 23' ' ' LEU . 2.7 m -139.73 149.41 43.59 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 120.869 0.366 . . . . 0.0 110.74 178.051 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 175.68 -160.47 28.79 Favored Glycine 0 N--CA 1.446 -0.643 0 CA-C-N 115.636 -0.711 . . . . 0.0 111.342 -178.192 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.428 ' HB3' ' CB ' ' A' ' 40' ' ' TRP . 95.9 m-85 -114.75 142.26 46.76 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.797 0.332 . . . . 0.0 110.146 -179.413 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.537 HG13 ' HB3' ' A' ' 23' ' ' LEU . 15.7 m -125.71 150.24 67.85 Favored Pre-proline 0 C--N 1.321 -0.666 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.726 -178.739 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 54' ' ' PRO . . . . . 0.554 ' O ' HG22 ' A' ' 58' ' ' VAL . 54.5 Cg_endo -70.11 128.28 15.49 Favored 'Trans proline' 0 CA--C 1.53 0.288 0 C-N-CA 123.098 2.532 . . . . 0.0 112.598 177.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 12.6 p -68.07 -10.98 58.11 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.919 -0.582 . . . . 0.0 112.034 -176.687 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 95.1 m-20 -84.97 -19.03 32.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.734 0.302 . . . . 0.0 111.308 179.396 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' TYR . . . . . 0.447 ' HB2' ' HG2' ' A' ' 54' ' ' PRO . 50.8 m-85 -108.37 -27.67 9.84 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.527 -0.306 . . . . 0.0 110.61 -177.916 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.766 HG12 HD13 ' A' ' 25' ' ' ILE . 28.9 m -109.45 149.27 12.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 N-CA-C 109.794 -0.447 . . . . 0.0 109.794 176.753 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.568 ' O ' ' HB ' ' A' ' 9' ' ' VAL . 38.2 mt-10 . . . . . 0 C--N 1.32 -0.675 0 CA-C-O 121.015 0.436 . . . . 0.0 111.025 -178.769 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 81.1 t . . . . . 0 N--CA 1.45 -0.437 0 CA-C-O 121.778 0.799 . . . . 0.0 112.109 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.521 ' HB ' ' O ' ' A' ' 59' ' ' GLU . 5.8 m -116.39 178.04 1.97 Allowed 'Isoleucine or valine' 0 C--N 1.313 -1.017 0 CA-C-N 114.199 -1.364 . . . . 0.0 109.312 177.199 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 14.8 p -136.48 147.74 27.51 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.735 0 C-N-CA 120.72 -0.392 . . . . 0.0 110.312 -179.645 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.493 ' HB1' HD12 ' A' ' 25' ' ' ILE . . . -83.92 144.35 29.25 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 121.081 0.467 . . . . 0.0 111.919 -178.13 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 2.7 ttmm -88.85 -46.84 8.63 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.513 -0.767 . . . . 0.0 110.537 178.493 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.459 ' HB2' ' HD2' ' A' ' 57' ' ' TYR . 39.3 m-85 -138.27 157.08 46.98 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 109.484 -0.561 . . . . 0.0 109.484 174.76 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' ASP . . . . . 0.663 ' HB3' ' HD2' ' A' ' 26' ' ' LYS . 0.4 OUTLIER -69.02 138.53 54.56 Favored 'General case' 0 N--CA 1.446 -0.648 0 CA-C-O 121.85 0.834 . . . . 0.0 112.725 -177.368 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 9.7 t80 -137.11 111.31 8.42 Favored 'General case' 0 C--N 1.316 -0.863 0 CA-C-N 114.293 -1.321 . . . . 0.0 109.343 174.368 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 58.5 t -94.18 118.31 39.85 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.704 0 CA-C-O 121.096 0.474 . . . . 0.0 110.648 179.114 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -85.25 116.84 23.83 Favored 'General case' 0 N--CA 1.443 -0.781 0 N-CA-C 108.77 -0.826 . . . . 0.0 108.77 175.28 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 6.3 mt-30 -62.71 -30.93 71.78 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.444 0.64 . . . . 0.0 110.227 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' GLN . . . . . 0.473 ' HB3' ' HG2' ' A' ' 21' ' ' GLN . 7.3 mm100 -102.09 120.31 40.23 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.151 -0.931 . . . . 0.0 109.462 179.772 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 34.7 mt-10 -71.4 -7.58 48.21 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-O 120.742 0.306 . . . . 0.0 111.502 -177.978 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.473 ' HG2' ' HB3' ' A' ' 19' ' ' GLN . 12.1 pt20 -66.56 -20.27 65.98 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.188 0.518 . . . . 0.0 109.816 171.28 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 72.8 mm-40 -104.24 -177.13 3.28 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.183 -0.917 . . . . 0.0 109.172 175.249 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.733 HD21 ' H ' ' A' ' 45' ' ' ASN . 0.6 OUTLIER -104.17 127.39 51.78 Favored 'General case' 0 N--CA 1.444 -0.758 0 C-N-CA 120.027 -0.669 . . . . 0.0 110.407 -174.892 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -99.59 130.16 45.8 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.78 -0.646 . . . . 0.0 109.759 175.43 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.751 HD13 HG12 ' A' ' 58' ' ' VAL . 1.3 pt -127.37 159.71 37.4 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-O 121.048 0.452 . . . . 0.0 110.625 -177.747 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.663 ' HD2' ' HB3' ' A' ' 14' ' ' ASP . 25.3 tptp -126.22 152.64 45.79 Favored 'General case' 0 C--N 1.316 -0.858 0 N-CA-C 109.129 -0.693 . . . . 0.0 109.129 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.47 ' H ' ' HB3' ' A' ' 14' ' ' ASP . 78.7 tttt -56.16 127.43 30.66 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 110.274 -0.269 . . . . 0.0 110.274 177.918 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 62.5 t30 69.57 23.29 5.97 Favored 'General case' 0 CA--C 1.535 0.375 0 O-C-N 123.954 0.784 . . . . 0.0 110.934 178.664 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 11.2 tp10 -99.23 147.1 25.49 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 109.252 -0.647 . . . . 0.0 109.252 176.853 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.59 ' O ' HD13 ' A' ' 31' ' ' LEU . 2.0 ptm180 -95.0 135.82 36.06 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-O 120.693 0.282 . . . . 0.0 110.281 -177.882 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.59 HD13 ' O ' ' A' ' 30' ' ' ARG . 1.6 mm? -123.97 167.97 13.44 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 109.337 -0.616 . . . . 0.0 109.337 179.229 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' TRP . . . . . 0.567 ' HB2' ' HB3' ' A' ' 44' ' ' ARG . 28.7 m-90 -105.4 125.01 50.5 Favored 'General case' 0 C--N 1.317 -0.841 0 N-CA-C 109.374 -0.602 . . . . 0.0 109.374 174.612 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.584 ' HA ' HG12 ' A' ' 43' ' ' VAL . 41.1 tp -97.18 116.39 29.29 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 121.02 0.438 . . . . 0.0 111.33 -173.554 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -102.34 -33.64 9.5 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.064 -178.287 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' ASP . . . . . 0.558 ' HB3' ' HB3' ' A' ' 42' ' ' ARG . 31.1 t70 . . . . . 0 C--N 1.327 -0.394 0 CA-C-N 116.409 -0.36 . . . . 0.0 111.258 -174.282 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' TRP . . . . . 0.566 ' N ' ' HG ' ' A' ' 55' ' ' SER . 76.5 m95 . . . . . 0 N--CA 1.468 0.436 0 CA-C-O 121.638 0.732 . . . . 0.0 110.876 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 48.3 m0 -98.2 155.9 16.95 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.156 -176.375 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.558 ' HB3' ' HB3' ' A' ' 35' ' ' ASP . 33.5 ttt180 -103.16 112.92 26.01 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 109.701 -0.481 . . . . 0.0 109.701 179.579 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.628 HG23 ' HG ' ' A' ' 23' ' ' LEU . 10.9 m -128.27 164.93 28.79 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-O 121.61 0.719 . . . . 0.0 112.231 -173.627 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.567 ' HB3' ' HB2' ' A' ' 32' ' ' TRP . 23.5 ttm180 -114.79 128.78 56.5 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 114.692 -1.14 . . . . 0.0 108.807 174.799 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' ASN . . . . . 0.733 ' H ' HD21 ' A' ' 23' ' ' LEU . 50.6 t30 -90.89 169.66 10.73 Favored 'General case' 0 C--N 1.317 -0.845 0 N-CA-C 109.384 -0.598 . . . . 0.0 109.384 176.261 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 4.7 p -68.8 -7.71 36.69 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.61 -176.448 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 44.6 tpp -91.75 14.53 15.08 Favored 'General case' 0 CA--C 1.536 0.413 0 CA-C-O 121.197 0.522 . . . . 0.0 109.871 176.902 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 47.3 m-80 69.47 14.42 8.37 Favored 'General case' 0 N--CA 1.47 0.563 0 CA-C-N 115.42 -0.809 . . . . 0.0 112.674 169.676 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 47.4 mtmt -97.33 164.32 12.52 Favored 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 109.736 -0.468 . . . . 0.0 109.736 176.049 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' THR . . . . . 0.401 ' HA ' HD23 ' A' ' 23' ' ' LEU . 4.1 m -137.14 153.58 50.46 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 110.182 -0.303 . . . . 0.0 110.182 178.277 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 173.7 -172.44 45.25 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 121.224 -0.512 . . . . 0.0 112.044 -179.121 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 65.7 m-85 -100.02 139.73 35.26 Favored 'General case' 0 CA--C 1.516 -0.349 0 CA-C-O 121.191 0.52 . . . . 0.0 110.305 179.421 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.477 HG13 ' HB3' ' A' ' 23' ' ' LEU . 22.6 m -125.41 148.72 62.2 Favored Pre-proline 0 C--N 1.318 -0.801 0 CA-C-N 115.392 -0.822 . . . . 0.0 111.192 179.579 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' PRO . . . . . 0.417 ' O ' HG22 ' A' ' 58' ' ' VAL . 30.1 Cg_endo -62.65 118.76 5.65 Favored 'Trans proline' 0 N--CA 1.464 -0.257 0 C-N-CA 123.066 2.511 . . . . 0.0 111.968 178.509 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' SER . . . . . 0.566 ' HG ' ' N ' ' A' ' 40' ' ' TRP . 1.9 p -65.65 -11.13 42.1 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.641 -178.614 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 14.6 m120 -76.12 -23.2 54.88 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.87 176.661 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' TYR . . . . . 0.459 ' HD2' ' HB2' ' A' ' 13' ' ' PHE . 90.1 m-85 -115.08 -10.23 12.23 Favored 'General case' 0 N--CA 1.452 -0.358 0 CA-C-N 116.356 -0.383 . . . . 0.0 111.776 -172.917 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.751 HG12 HD13 ' A' ' 25' ' ' ILE . 32.8 m -115.14 154.98 16.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-O 120.703 0.287 . . . . 0.0 110.801 -179.744 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.521 ' O ' ' HB ' ' A' ' 9' ' ' VAL . 8.6 mm-40 . . . . . 0 C--N 1.325 -0.472 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.929 -175.137 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 40.8 t . . . . . 0 N--CA 1.449 -0.507 0 CA-C-O 121.339 0.59 . . . . 0.0 112.152 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.653 ' HB ' ' O ' ' A' ' 59' ' ' GLU . 17.0 m -105.02 -174.93 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.706 0 CA-C-N 114.856 -1.066 . . . . 0.0 109.043 176.553 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 14.4 p -139.97 148.77 22.49 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 O-C-N 121.874 -0.516 . . . . 0.0 110.423 -178.918 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.572 ' HA ' ' HA ' ' A' ' 58' ' ' VAL . . . -94.56 145.69 24.64 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 121.257 0.551 . . . . 0.0 111.618 -178.199 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 4.6 tppp? -89.9 -48.99 6.87 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.527 -0.76 . . . . 0.0 110.461 -179.627 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 49.7 m-85 -129.48 155.64 45.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.112 0.482 . . . . 0.0 111.393 -176.746 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' ASP . . . . . 0.461 ' OD1' ' HG3' ' A' ' 26' ' ' LYS . 11.5 m-20 -61.64 133.57 55.77 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 114.924 -1.035 . . . . 0.0 111.268 178.531 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' TYR . . . . . 0.542 ' HB3' HG13 ' A' ' 25' ' ' ILE . 24.9 t80 -135.93 112.7 10.18 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.396 0.617 . . . . 0.0 110.482 175.074 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 48.0 t -84.86 129.14 38.21 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.155 178.888 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.56 ' HB1' ' HB2' ' A' ' 22' ' ' GLU . . . -91.3 177.91 6.11 Favored 'General case' 0 N--CA 1.449 -0.5 0 CA-C-N 116.196 -0.456 . . . . 0.0 109.839 -178.545 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 30.9 mt-30 -90.35 -58.52 2.47 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.08 0.467 . . . . 0.0 110.85 179.204 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 3.5 mm-40 -143.52 -174.75 4.32 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.192 -179.335 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 31.7 tt0 -65.12 -13.54 58.34 Favored 'General case' 0 CA--C 1.535 0.379 0 CA-C-O 121.425 0.631 . . . . 0.0 110.626 178.328 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.485 ' HG3' ' HG2' ' A' ' 22' ' ' GLU . 13.8 pt20 -68.19 -21.3 64.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.467 0.651 . . . . 0.0 110.072 174.173 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.56 ' HB2' ' HB1' ' A' ' 17' ' ' ALA . 6.4 mm-40 -108.94 -179.2 3.79 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.269 -0.878 . . . . 0.0 108.963 -179.23 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.788 HD11 ' HB3' ' A' ' 45' ' ' ASN . 0.9 OUTLIER -113.6 129.3 56.59 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 109.272 -0.64 . . . . 0.0 109.272 175.134 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 8.1 p-10 -101.21 130.92 47.41 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 120.974 0.416 . . . . 0.0 110.407 177.881 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.692 HD13 HG12 ' A' ' 58' ' ' VAL . 1.0 OUTLIER -131.71 165.69 31.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.217 -178.673 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.461 ' HG3' ' OD1' ' A' ' 14' ' ' ASP . 7.2 tptm -135.69 164.85 26.94 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 110.101 -0.333 . . . . 0.0 110.101 -177.703 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 79.7 tttt -60.67 125.99 25.77 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.636 0.255 . . . . 0.0 110.462 177.723 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 67.0 t30 66.73 25.91 9.65 Favored 'General case' 0 N--CA 1.469 0.487 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.721 178.408 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 10.6 tp10 -94.31 145.96 24.37 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 109.076 -0.713 . . . . 0.0 109.076 176.18 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.657 ' O ' HD13 ' A' ' 31' ' ' LEU . 9.8 ptp180 -94.69 139.33 31.38 Favored 'General case' 0 C--N 1.32 -0.71 0 N-CA-C 109.376 -0.601 . . . . 0.0 109.376 -179.867 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.657 HD13 ' O ' ' A' ' 30' ' ' ARG . 2.0 mm? -127.85 163.82 23.57 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.884 0.374 . . . . 0.0 110.277 178.485 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' TRP . . . . . 0.598 ' HB2' ' HB3' ' A' ' 44' ' ' ARG . 6.8 m-90 -98.09 117.71 33.07 Favored 'General case' 0 C--N 1.317 -0.838 0 N-CA-C 109.341 -0.614 . . . . 0.0 109.341 176.297 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.518 ' HA ' HG12 ' A' ' 43' ' ' VAL . 25.5 tp -96.83 113.47 25.02 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.07 0.462 . . . . 0.0 111.049 -177.119 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -98.75 -58.58 1.92 Allowed 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.271 -179.397 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' ASP . . . . . 0.629 ' HB2' ' HB3' ' A' ' 42' ' ' ARG . 3.0 m-20 . . . . . 0 C--N 1.328 -0.36 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.611 -177.483 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 4.6 m-90 . . . . . 0 C--O 1.234 0.274 0 CA-C-O 120.98 0.419 . . . . 0.0 110.921 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 41' ' ' TRP . . . . . 0.563 ' CE3' HG23 ' A' ' 58' ' ' VAL . 9.5 m0 -121.43 130.08 53.37 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.609 174.539 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.629 ' HB3' ' HB2' ' A' ' 35' ' ' ASP . 39.5 ttt180 -87.75 104.64 16.75 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.569 -0.742 . . . . 0.0 109.144 179.467 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.582 HG23 ' HG ' ' A' ' 23' ' ' LEU . 7.7 m -129.23 157.36 42.05 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 CA-C-N 115.788 -0.642 . . . . 0.0 112.288 -173.138 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.598 ' HB3' ' HB2' ' A' ' 32' ' ' TRP . 44.0 ttt180 -111.58 132.08 54.8 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 114.786 -1.097 . . . . 0.0 108.862 172.78 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' ASN . . . . . 0.788 ' HB3' HD11 ' A' ' 23' ' ' LEU . 40.0 p-10 -98.78 -174.57 2.82 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 120.969 0.414 . . . . 0.0 111.69 -175.83 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 21.7 m -65.84 -19.73 65.99 Favored 'General case' 0 CA--C 1.531 0.217 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.526 -179.261 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' MET . . . . . 0.436 ' HA ' ' CE ' ' A' ' 47' ' ' MET . 3.5 tpt -84.12 4.97 27.97 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-O 121.23 0.538 . . . . 0.0 109.801 176.363 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 48' ' ' ASN . . . . . 0.578 ' HA ' ' HE ' ' A' ' 44' ' ' ARG . 23.2 m-80 65.57 16.95 10.75 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-N 115.331 -0.849 . . . . 0.0 111.118 175.29 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.55 ' O ' ' HA ' ' A' ' 44' ' ' ARG . 46.2 mmtm -93.51 168.92 10.73 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 109.093 -0.706 . . . . 0.0 109.093 177.546 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' THR . . . . . 0.418 ' CA ' HD23 ' A' ' 23' ' ' LEU . 7.2 m -139.39 150.8 45.72 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 121.101 0.477 . . . . 0.0 111.014 -178.642 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 179.61 -166.52 35.85 Favored Glycine 0 N--CA 1.444 -0.767 0 CA-C-N 115.103 -0.953 . . . . 0.0 111.101 -178.302 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 91.9 m-85 -110.3 127.51 55.06 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 120.982 0.42 . . . . 0.0 111.09 -179.387 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.523 HG13 ' HB3' ' A' ' 23' ' ' LEU . 28.6 m -118.25 160.19 40.4 Favored Pre-proline 0 C--N 1.324 -0.502 0 CA-C-N 115.546 -0.752 . . . . 0.0 111.231 179.646 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 54' ' ' PRO . . . . . 0.664 ' HG2' ' HB2' ' A' ' 57' ' ' TYR . 41.4 Cg_endo -68.26 126.01 13.73 Favored 'Trans proline' 0 C--N 1.344 0.305 0 C-N-CA 122.85 2.367 . . . . 0.0 112.129 176.499 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 20.2 m -66.74 -9.29 35.05 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.882 -0.599 . . . . 0.0 112.047 -177.051 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 94.1 m-20 -90.0 -25.63 20.76 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.832 0.349 . . . . 0.0 111.34 178.726 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' TYR . . . . . 0.664 ' HB2' ' HG2' ' A' ' 54' ' ' PRO . 37.1 m-85 -94.59 -22.4 18.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.563 -0.289 . . . . 0.0 110.742 -177.539 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.692 HG12 HD13 ' A' ' 25' ' ' ILE . 33.4 m -116.73 148.23 19.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 N-CA-C 109.241 -0.652 . . . . 0.0 109.241 173.569 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.653 ' O ' ' HB ' ' A' ' 9' ' ' VAL . 49.2 mt-10 . . . . . 0 C--N 1.326 -0.423 0 CA-C-O 121.119 0.485 . . . . 0.0 111.76 -175.673 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 55.7 t . . . . . 0 N--CA 1.452 -0.336 0 CA-C-O 121.273 0.559 . . . . 0.0 111.218 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.449 HG23 ' HB2' ' A' ' 31' ' ' LEU . 7.4 m -116.31 -177.52 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.317 -0.835 0 CA-C-N 115.166 -0.924 . . . . 0.0 109.709 177.904 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 14.5 p -140.56 151.12 20.77 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 CA-C-O 120.843 0.354 . . . . 0.0 110.409 -177.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -92.81 141.62 28.24 Favored 'General case' 0 C--N 1.319 -0.731 0 N-CA-C 112.18 0.437 . . . . 0.0 112.18 -178.58 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.487 ' HB2' ' CG ' ' A' ' 59' ' ' GLU . 33.0 ttmt -79.19 -52.72 7.78 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.015 177.262 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 58.5 m-85 -133.31 163.95 28.18 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.432 -0.804 . . . . 0.0 109.67 177.978 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' ASP . . . . . 0.62 ' HB3' ' HD2' ' A' ' 26' ' ' LYS . 0.6 OUTLIER -68.79 141.93 55.05 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.564 0.697 . . . . 0.0 112.265 179.461 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 15' ' ' TYR . . . . . 0.59 ' HB3' ' CG1' ' A' ' 25' ' ' ILE . 11.9 t80 -137.43 111.36 8.29 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 114.634 -1.166 . . . . 0.0 109.82 176.258 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 43.8 t -86.49 133.79 28.96 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.814 0 CA-C-N 116.052 -0.522 . . . . 0.0 109.803 177.668 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.415 ' HB1' ' HB2' ' A' ' 22' ' ' GLU . . . -92.36 157.97 16.34 Favored 'General case' 0 N--CA 1.443 -0.782 0 N-CA-C 109.405 -0.591 . . . . 0.0 109.405 -175.794 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 3.0 tt0 -63.18 -53.78 47.89 Favored 'General case' 0 C--N 1.316 -0.887 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.501 -178.393 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 48.6 mm-40 -147.44 -176.25 5.16 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.225 177.933 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.722 ' HG2' ' HD3' ' A' ' 49' ' ' LYS . 2.6 tm-20 -63.74 -16.62 61.6 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 123.163 0.585 . . . . 0.0 111.413 -177.2 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.548 ' HG3' ' HG2' ' A' ' 22' ' ' GLU . 14.4 pt20 -59.19 -30.08 67.94 Favored 'General case' 0 CA--C 1.536 0.416 0 CA-C-N 115.917 -0.583 . . . . 0.0 112.13 175.581 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.548 ' HG2' ' HG3' ' A' ' 21' ' ' GLN . 62.1 mm-40 -110.63 -177.1 3.14 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.535 -0.302 . . . . 0.0 110.432 -176.428 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.841 ' HG ' HG23 ' A' ' 43' ' ' VAL . 0.6 OUTLIER -103.7 128.29 51.07 Favored 'General case' 0 N--CA 1.451 -0.41 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 -177.187 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 7.8 p-10 -101.4 133.61 45.76 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 109.398 -0.593 . . . . 0.0 109.398 176.68 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.749 HD13 HG12 ' A' ' 58' ' ' VAL . 1.1 pt -130.9 158.24 43.22 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.679 0 C-N-CA 120.612 -0.435 . . . . 0.0 110.745 -177.48 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.62 ' HD2' ' HB3' ' A' ' 14' ' ' ASP . 59.5 tptt -125.18 152.75 44.09 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 109.106 -0.701 . . . . 0.0 109.106 -177.267 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.452 ' HG3' ' O ' ' A' ' 12' ' ' LYS . 60.3 tttm -57.29 130.46 46.31 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 110.329 -0.249 . . . . 0.0 110.329 178.422 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 17.3 t30 70.4 17.01 7.03 Favored 'General case' 0 CA--C 1.537 0.464 0 O-C-N 123.858 0.724 . . . . 0.0 110.761 177.976 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -96.96 149.36 21.98 Favored 'General case' 0 C--N 1.328 -0.365 0 O-C-N 121.609 -0.682 . . . . 0.0 110.228 179.561 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.654 ' O ' HD13 ' A' ' 31' ' ' LEU . 6.4 ptp180 -90.38 143.18 27.0 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.215 -177.038 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.654 HD13 ' O ' ' A' ' 30' ' ' ARG . 2.5 mm? -129.71 166.32 20.07 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 109.869 -0.419 . . . . 0.0 109.869 174.549 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 15.4 m-90 -104.77 121.44 43.63 Favored 'General case' 0 C--N 1.316 -0.864 0 N-CA-C 109.204 -0.665 . . . . 0.0 109.204 174.099 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.552 ' HA ' HG12 ' A' ' 43' ' ' VAL . 35.5 tp -96.62 118.11 32.4 Favored 'General case' 0 C--N 1.316 -0.853 0 CA-C-O 120.962 0.411 . . . . 0.0 110.998 -174.359 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -98.44 -46.91 5.59 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.925 -178.407 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 37.7 t70 . . . . . 0 C--N 1.326 -0.428 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.922 -177.559 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 40' ' ' TRP . . . . . 0.436 ' HA ' ' O ' ' A' ' 53' ' ' VAL . 98.3 m95 . . . . . 0 N--CA 1.463 0.212 0 CA-C-O 121.383 0.611 . . . . 0.0 111.264 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' TRP . . . . . 0.479 ' O ' ' HA ' ' A' ' 52' ' ' PHE . 12.7 m0 -94.97 151.51 19.12 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.35 -0.841 . . . . 0.0 110.884 179.737 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 52.8 ttt180 -101.68 108.43 19.96 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 109.082 -0.71 . . . . 0.0 109.082 173.839 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.841 HG23 ' HG ' ' A' ' 23' ' ' LEU . 6.1 m -122.83 163.47 21.49 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.676 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.996 -173.53 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 11.9 ttp180 -119.38 127.52 53.22 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 114.985 -1.007 . . . . 0.0 109.018 176.467 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' ASN . . . . . 0.752 ' HB3' HD11 ' A' ' 23' ' ' LEU . 37.6 p-10 -98.25 -177.73 3.81 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-O 120.696 0.284 . . . . 0.0 111.093 -177.648 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 2.4 p -71.02 -13.6 62.05 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.715 -178.002 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 16.1 tpt -80.35 0.93 30.91 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 109.577 -0.527 . . . . 0.0 109.577 175.038 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 23.7 m-80 69.87 15.93 7.82 Favored 'General case' 0 N--CA 1.469 0.517 0 CA-C-N 115.452 -0.795 . . . . 0.0 110.67 176.738 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.833 ' HE2' ' HA ' ' A' ' 49' ' ' LYS . 7.8 mmpt? -93.78 168.13 11.2 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.474 -0.784 . . . . 0.0 110.011 179.765 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' THR . . . . . 0.497 ' HA ' HD23 ' A' ' 23' ' ' LEU . 3.0 m -141.08 150.72 43.29 Favored 'General case' 0 C--N 1.317 -0.845 0 CA-C-O 120.894 0.378 . . . . 0.0 110.758 179.444 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 177.26 -173.1 45.95 Favored Glycine 0 N--CA 1.446 -0.699 0 CA-C-N 115.824 -0.625 . . . . 0.0 111.678 -178.083 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.479 ' HA ' ' O ' ' A' ' 41' ' ' TRP . 77.1 m-85 -103.45 133.22 48.86 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.043 0.449 . . . . 0.0 110.892 -179.148 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.436 ' O ' ' HA ' ' A' ' 40' ' ' TRP . 27.1 m -121.27 148.35 49.33 Favored Pre-proline 0 C--N 1.324 -0.534 0 CA-C-N 115.491 -0.777 . . . . 0.0 111.391 -179.561 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' PRO . . . . . 0.564 ' O ' HG22 ' A' ' 58' ' ' VAL . 59.5 Cg_endo -71.74 131.24 18.18 Favored 'Trans proline' 0 CA--C 1.529 0.227 0 C-N-CA 123.477 2.784 . . . . 0.0 113.077 -178.836 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 44.2 t -65.16 -20.37 66.42 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.305 0.574 . . . . 0.0 110.444 179.641 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -65.34 -35.34 80.69 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.43 178.612 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 57' ' ' TYR . . . . . 0.424 ' HB2' ' HG2' ' A' ' 54' ' ' PRO . 73.0 m-85 -104.07 -18.66 14.46 Favored 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 112.21 0.448 . . . . 0.0 112.21 -172.053 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.749 HG12 HD13 ' A' ' 25' ' ' ILE . 32.9 m -110.34 157.75 10.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 C-N-CA 121.03 -0.268 . . . . 0.0 110.98 -179.324 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.487 ' CG ' ' HB2' ' A' ' 12' ' ' LYS . 5.9 mm-40 . . . . . 0 C--O 1.233 0.188 0 CA-C-O 121.32 0.581 . . . . 0.0 111.978 -174.137 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 38.1 t . . . . . 0 N--CA 1.449 -0.476 0 CA-C-O 121.233 0.539 . . . . 0.0 110.67 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.532 ' HB ' ' O ' ' A' ' 59' ' ' GLU . 14.0 m -106.84 177.58 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.798 0 CA-C-N 115.066 -0.97 . . . . 0.0 109.584 177.176 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 11.7 p -136.66 143.9 34.03 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.891 0 N-CA-C 109.348 -0.612 . . . . 0.0 109.348 -178.786 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.496 ' HB3' ' O ' ' A' ' 26' ' ' LYS . . . -83.84 142.7 30.43 Favored 'General case' 0 C--N 1.316 -0.876 0 CA-C-O 120.979 0.418 . . . . 0.0 111.821 -175.694 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.798 ' HB2' ' HG2' ' A' ' 59' ' ' GLU . 38.6 tttp -80.26 -50.29 10.42 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.093 -178.434 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.412 ' HB2' ' HD2' ' A' ' 57' ' ' TYR . 65.9 m-85 -134.86 161.05 36.32 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.809 -0.632 . . . . 0.0 111.014 -178.384 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 -64.29 119.66 10.72 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.303 -0.862 . . . . 0.0 111.865 -179.716 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 26.2 t80 -132.38 109.95 10.21 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.99 -0.55 . . . . 0.0 109.827 171.059 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 52.2 t -96.07 124.13 48.61 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.739 0 N-CA-C 109.622 -0.51 . . . . 0.0 109.622 178.059 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.55 ' HB1' ' HG3' ' A' ' 22' ' ' GLU . . . -82.74 139.47 33.6 Favored 'General case' 0 C--N 1.318 -0.783 0 N-CA-C 109.063 -0.718 . . . . 0.0 109.063 179.884 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 95.8 mt-30 -72.45 -47.05 52.02 Favored 'General case' 0 C--N 1.319 -0.758 0 C-N-CA 120.772 -0.371 . . . . 0.0 110.938 -175.804 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 12.0 mm100 -109.25 163.03 13.74 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.675 -175.378 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.422 ' HB3' ' HE3' ' A' ' 49' ' ' LYS . 0.9 OUTLIER -73.44 -17.55 61.23 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.525 -179.512 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 30.0 pt20 -73.21 -15.38 61.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.04 0.448 . . . . 0.0 111.11 -178.633 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.55 ' HG3' ' HB1' ' A' ' 17' ' ' ALA . 1.6 pt-20 -110.52 173.36 6.37 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.43 -0.804 . . . . 0.0 108.832 176.091 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.621 ' HG ' HG23 ' A' ' 43' ' ' VAL . 0.9 OUTLIER -104.36 128.84 52.26 Favored 'General case' 0 C--N 1.323 -0.555 0 C-N-CA 120.079 -0.648 . . . . 0.0 110.077 -172.017 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 2.6 p-10 -94.32 132.05 39.31 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.065 0.46 . . . . 0.0 109.914 178.207 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.751 HD13 HG12 ' A' ' 58' ' ' VAL . 1.0 OUTLIER -131.9 176.73 8.31 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.776 0 N-CA-C 109.888 -0.412 . . . . 0.0 109.888 179.468 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.496 ' O ' ' HB3' ' A' ' 11' ' ' ALA . 17.8 tptm -145.17 158.9 43.7 Favored 'General case' 0 C--N 1.318 -0.803 0 N-CA-C 108.512 -0.921 . . . . 0.0 108.512 179.668 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 62.5 tttm -62.13 130.92 47.71 Favored 'General case' 0 N--CA 1.45 -0.46 0 C-N-CA 120.398 -0.521 . . . . 0.0 110.081 179.313 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 2.8 t30 68.06 16.64 9.5 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.34 -0.845 . . . . 0.0 110.895 177.885 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.471 ' HB2' ' HB3' ' A' ' 26' ' ' LYS . 10.0 tp10 -92.52 147.06 23.2 Favored 'General case' 0 C--N 1.331 -0.208 0 N-CA-C 110.125 -0.324 . . . . 0.0 110.125 179.192 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.596 ' O ' HD13 ' A' ' 31' ' ' LEU . 8.0 ptt180 -90.93 132.48 35.92 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.477 -177.199 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.596 HD13 ' O ' ' A' ' 30' ' ' ARG . 1.8 mm? -125.47 166.91 15.78 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 109.256 -0.646 . . . . 0.0 109.256 177.082 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 20.5 m-90 -101.5 121.01 41.19 Favored 'General case' 0 C--N 1.319 -0.741 0 N-CA-C 109.776 -0.453 . . . . 0.0 109.776 174.825 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.59 ' HA ' HG12 ' A' ' 43' ' ' VAL . 30.5 tp -97.24 119.93 36.66 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 121.102 0.477 . . . . 0.0 110.994 -176.931 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -102.57 -35.94 8.54 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.873 -178.745 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' ASP . . . . . 0.489 ' OD2' ' HD3' ' A' ' 42' ' ' ARG . 23.0 m-20 . . . . . 0 CA--C 1.516 -0.336 0 N-CA-C 112.357 0.503 . . . . 0.0 112.357 -174.505 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 7.0 m0 . . . . . 0 CA--C 1.52 -0.203 0 N-CA-C 110.095 -0.335 . . . . 0.0 110.095 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 41' ' ' TRP . . . . . 0.593 ' HE3' HG23 ' A' ' 58' ' ' VAL . 16.3 m0 -97.63 132.18 43.52 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 120.875 0.369 . . . . 0.0 111.484 -178.692 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.489 ' HD3' ' OD2' ' A' ' 35' ' ' ASP . 59.1 ttt-85 -85.42 109.7 18.63 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.822 -0.626 . . . . 0.0 109.723 176.406 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.621 HG23 ' HG ' ' A' ' 23' ' ' LEU . 4.7 m -126.54 161.49 32.67 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.792 0 CA-C-N 115.359 -0.837 . . . . 0.0 111.411 -177.287 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.402 ' HG3' ' O ' ' A' ' 49' ' ' LYS . 44.2 ttm180 -122.74 131.68 53.89 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-N 114.978 -1.01 . . . . 0.0 109.317 173.969 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' ASN . . . . . 0.59 ' HB2' HD11 ' A' ' 23' ' ' LEU . 54.2 t30 -96.23 174.55 6.84 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 115.998 -0.546 . . . . 0.0 109.554 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 36.2 m -66.65 -7.93 24.01 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.035 0.445 . . . . 0.0 111.207 -179.34 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 14.9 tpt -85.36 5.17 31.92 Favored 'General case' 0 CA--C 1.532 0.255 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.794 179.468 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 16.8 m120 74.88 -17.06 0.51 Allowed 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 123.354 0.662 . . . . 0.0 111.881 175.718 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.422 ' HE3' ' HB3' ' A' ' 20' ' ' GLU . 75.5 mmtt -69.57 158.66 34.83 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 109.856 -0.424 . . . . 0.0 109.856 176.221 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' THR . . . . . 0.493 ' HA ' HD23 ' A' ' 23' ' ' LEU . 4.6 m -142.45 151.97 42.28 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 109.747 -0.464 . . . . 0.0 109.747 -179.386 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' GLY . . . . . 0.401 ' O ' ' HA ' ' A' ' 42' ' ' ARG . . . 176.55 -163.43 32.55 Favored Glycine 0 N--CA 1.444 -0.802 0 C-N-CA 120.814 -0.708 . . . . 0.0 111.945 -178.633 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 81.0 m-85 -108.56 135.34 49.98 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 120.876 0.369 . . . . 0.0 110.306 -179.109 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.477 HG13 ' HB3' ' A' ' 23' ' ' LEU . 24.0 m -120.82 151.6 54.87 Favored Pre-proline 0 C--N 1.321 -0.646 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.99 179.115 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 54' ' ' PRO . . . . . 0.513 ' HG2' ' HB2' ' A' ' 57' ' ' TYR . 19.4 Cg_endo -58.99 118.55 5.46 Favored 'Trans proline' 0 N--CA 1.463 -0.292 0 C-N-CA 122.92 2.413 . . . . 0.0 111.796 176.537 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 1.5 p -68.45 -10.91 58.51 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.842 -0.617 . . . . 0.0 112.29 -175.593 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 24.7 p-10 -93.95 -7.6 42.49 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.613 -0.267 . . . . 0.0 111.185 176.748 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' TYR . . . . . 0.513 ' HB2' ' HG2' ' A' ' 54' ' ' PRO . 51.2 m-85 -111.01 -11.44 14.31 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 120.857 0.36 . . . . 0.0 111.102 177.909 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.751 HG12 HD13 ' A' ' 25' ' ' ILE . 35.0 m -120.51 157.68 23.15 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.692 0 N-CA-C 109.325 -0.62 . . . . 0.0 109.325 175.602 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.798 ' HG2' ' HB2' ' A' ' 12' ' ' LYS . 6.5 mm-40 . . . . . 0 C--N 1.33 -0.27 0 CA-C-O 121.434 0.635 . . . . 0.0 112.286 -174.318 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 83.2 t . . . . . 0 CA--C 1.514 -0.423 0 CA-C-O 121.765 0.793 . . . . 0.0 110.823 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.487 ' HB ' ' O ' ' A' ' 59' ' ' GLU . 9.7 m -116.86 177.96 2.07 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.169 0 CA-C-N 114.4 -1.273 . . . . 0.0 109.087 179.524 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 10.4 p -140.44 140.75 33.9 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.886 0 CA-C-O 121.308 0.575 . . . . 0.0 110.658 -178.446 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.494 ' HA ' ' HA ' ' A' ' 58' ' ' VAL . . . -92.07 145.92 24.14 Favored 'General case' 0 C--N 1.314 -0.956 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.075 178.595 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.46 ' O ' ' HG3' ' A' ' 27' ' ' LYS . 52.4 mttp -111.41 -12.87 13.97 Favored 'General case' 0 C--N 1.321 -0.647 0 C-N-CA 120.229 -0.589 . . . . 0.0 111.213 178.765 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 81.0 m-85 -134.28 145.51 49.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.307 0.575 . . . . 0.0 111.606 174.832 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 24.8 m-20 -61.25 130.75 47.75 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.027 -0.988 . . . . 0.0 112.575 -179.026 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' TYR . . . . . 0.581 ' HB3' ' CG1' ' A' ' 25' ' ' ILE . 54.3 t80 -136.04 111.95 9.54 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.993 -0.548 . . . . 0.0 109.769 168.725 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 46.0 t -94.99 131.11 42.7 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.712 0 N-CA-C 109.856 -0.424 . . . . 0.0 109.856 179.494 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.517 ' HB1' ' HB2' ' A' ' 22' ' ' GLU . . . -87.07 175.64 8.0 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.16 -0.473 . . . . 0.0 109.817 179.239 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 11.5 mt-30 -108.99 -56.94 2.21 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 120.986 0.422 . . . . 0.0 110.284 178.848 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' GLN . . . . . 0.72 ' HB2' ' HG2' ' A' ' 21' ' ' GLN . 12.1 mm100 -104.16 160.56 14.76 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.736 -0.665 . . . . 0.0 110.215 -179.345 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 50.5 mt-10 -71.59 -4.75 28.76 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-O 120.799 0.333 . . . . 0.0 111.653 179.033 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.72 ' HG2' ' HB2' ' A' ' 19' ' ' GLN . 11.2 pt20 -75.9 -20.9 57.67 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.377 0.608 . . . . 0.0 109.83 174.127 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.517 ' HB2' ' HB1' ' A' ' 17' ' ' ALA . 39.9 mt-10 -92.12 -179.52 5.29 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 114.956 -1.02 . . . . 0.0 109.524 179.21 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.844 ' HG ' HG23 ' A' ' 43' ' ' VAL . 0.8 OUTLIER -114.79 128.12 56.12 Favored 'General case' 0 N--CA 1.446 -0.651 0 N-CA-C 108.515 -0.92 . . . . 0.0 108.515 174.767 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -100.67 132.41 46.08 Favored 'General case' 0 C--N 1.322 -0.602 0 C-N-CA 120.099 -0.64 . . . . 0.0 109.526 178.264 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.713 HD13 HG12 ' A' ' 58' ' ' VAL . 1.1 pt -130.24 176.59 8.27 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.735 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.103 -177.483 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.528 ' HB3' ' HB2' ' A' ' 29' ' ' GLU . 20.9 tptp -145.0 158.69 43.73 Favored 'General case' 0 C--N 1.318 -0.788 0 N-CA-C 109.221 -0.659 . . . . 0.0 109.221 -176.504 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.46 ' HG3' ' O ' ' A' ' 12' ' ' LYS . 84.6 tttt -60.93 121.48 12.48 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 109.692 -0.485 . . . . 0.0 109.692 175.118 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 7.9 t30 70.26 35.07 2.17 Favored 'General case' 0 N--CA 1.471 0.614 0 CA-C-O 121.64 0.733 . . . . 0.0 110.598 -179.534 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.528 ' HB2' ' HB3' ' A' ' 26' ' ' LYS . 9.7 tp10 -109.8 147.89 32.45 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.155 175.563 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.664 ' O ' HD13 ' A' ' 31' ' ' LEU . 2.6 ptp180 -94.61 140.42 29.89 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.51 -176.288 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.664 HD13 ' O ' ' A' ' 30' ' ' ARG . 2.2 mm? -128.5 165.46 20.67 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 176.579 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' TRP . . . . . 0.454 ' HB2' ' HB3' ' A' ' 44' ' ' ARG . 11.9 m-90 -105.17 116.35 31.81 Favored 'General case' 0 C--N 1.316 -0.869 0 N-CA-C 109.356 -0.609 . . . . 0.0 109.356 177.122 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.576 ' HA ' HG12 ' A' ' 43' ' ' VAL . 33.3 tp -91.58 121.75 33.54 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-O 121.304 0.573 . . . . 0.0 111.718 -172.278 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.569 HD23 ' HD2' ' A' ' 42' ' ' ARG . 1.6 mm? -99.55 -54.97 2.79 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.421 -0.809 . . . . 0.0 110.173 178.023 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 12.9 m-20 . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.425 -178.216 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 40' ' ' TRP . . . . . 0.55 ' HA ' ' O ' ' A' ' 53' ' ' VAL . 77.6 m95 . . . . . 0 N--CA 1.462 0.16 0 CA-C-O 121.536 0.684 . . . . 0.0 110.499 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' TRP . . . . . 0.442 ' O ' ' HA ' ' A' ' 52' ' ' PHE . 51.3 m0 -82.94 151.47 25.9 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.213 -0.903 . . . . 0.0 110.501 -176.067 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.569 ' HD2' HD23 ' A' ' 34' ' ' LEU . 0.6 OUTLIER -96.02 110.81 22.98 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 109.344 -0.613 . . . . 0.0 109.344 177.47 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.844 HG23 ' HG ' ' A' ' 23' ' ' LEU . 4.3 m -127.69 157.32 39.65 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.567 -177.277 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.454 ' HB3' ' HB2' ' A' ' 32' ' ' TRP . 17.1 ttm-85 -110.45 137.23 48.43 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.098 -0.955 . . . . 0.0 109.008 173.085 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' ASN . . . . . 0.537 ' HB2' HD11 ' A' ' 23' ' ' LEU . 26.7 t-20 -98.1 170.9 8.59 Favored 'General case' 0 C--N 1.317 -0.841 0 N-CA-C 109.399 -0.593 . . . . 0.0 109.399 175.88 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 32.4 t -67.59 -14.56 63.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.159 0.504 . . . . 0.0 110.445 -179.786 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' MET . . . . . 0.469 ' O ' ' HD2' ' A' ' 49' ' ' LYS . 14.1 tpt -75.66 -0.14 19.64 Favored 'General case' 0 CA--C 1.532 0.26 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.641 177.854 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 16.8 m120 77.09 4.69 3.29 Favored 'General case' 0 N--CA 1.469 0.498 0 C-N-CA 123.53 0.732 . . . . 0.0 112.074 174.832 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.469 ' HD2' ' O ' ' A' ' 47' ' ' MET . 1.4 mptp? -94.3 165.3 12.65 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.205 175.183 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' THR . . . . . 0.556 ' HA ' HD23 ' A' ' 23' ' ' LEU . 6.5 m -141.76 153.58 44.67 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.964 -0.562 . . . . 0.0 109.568 -177.023 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 178.77 -166.0 35.45 Favored Glycine 0 N--CA 1.446 -0.672 0 C-N-CA 120.816 -0.707 . . . . 0.0 111.919 -178.521 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.442 ' HA ' ' O ' ' A' ' 41' ' ' TRP . 99.1 m-85 -107.46 139.79 41.42 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 109.78 -0.452 . . . . 0.0 109.78 -179.921 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.55 ' O ' ' HA ' ' A' ' 40' ' ' TRP . 8.9 m -131.65 152.57 80.63 Favored Pre-proline 0 C--N 1.32 -0.713 0 CA-C-N 115.782 -0.644 . . . . 0.0 111.446 -178.148 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' PRO . . . . . 0.5 ' HG2' ' HB2' ' A' ' 57' ' ' TYR . 28.2 Cg_endo -63.19 127.49 20.29 Favored 'Trans proline' 0 C--O 1.234 0.318 0 C-N-CA 123.001 2.467 . . . . 0.0 112.338 176.867 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 5.7 m -69.41 -10.24 57.11 Favored 'General case' 0 CA--C 1.534 0.364 0 CA-C-N 115.793 -0.64 . . . . 0.0 112.347 -174.926 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 81.4 m-20 -93.87 -5.79 47.21 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.84 0.352 . . . . 0.0 111.515 178.979 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' TYR . . . . . 0.5 ' HB2' ' HG2' ' A' ' 54' ' ' PRO . 42.1 m-85 -113.47 -33.36 5.92 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.968 0.413 . . . . 0.0 110.017 -178.327 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.713 HG12 HD13 ' A' ' 25' ' ' ILE . 25.0 m -108.4 143.19 19.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 N-CA-C 108.522 -0.918 . . . . 0.0 108.522 172.001 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.487 ' O ' ' HB ' ' A' ' 9' ' ' VAL . 47.8 mt-10 . . . . . 0 C--N 1.322 -0.611 0 CA-C-O 121.56 0.695 . . . . 0.0 112.333 -175.32 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 24.1 t . . . . . 0 N--CA 1.451 -0.42 0 CA-C-O 121.789 0.805 . . . . 0.0 110.965 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.602 ' HB ' ' O ' ' A' ' 59' ' ' GLU . 32.0 m -112.66 179.21 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.311 -1.089 0 CA-C-N 114.572 -1.195 . . . . 0.0 108.421 177.51 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.514 ' O ' ' HB2' ' A' ' 59' ' ' GLU . 8.2 p -136.7 138.93 45.76 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.852 0 O-C-N 121.894 -0.504 . . . . 0.0 110.021 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.561 ' HB3' ' O ' ' A' ' 26' ' ' LYS . . . -78.85 146.07 33.86 Favored 'General case' 0 C--N 1.315 -0.902 0 CA-C-O 121.458 0.647 . . . . 0.0 112.217 -175.64 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.678 ' HB2' ' HG2' ' A' ' 59' ' ' GLU . 80.8 tttt -84.49 -51.76 6.66 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 114.993 -1.003 . . . . 0.0 110.173 -175.879 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 74.2 m-85 -138.48 161.17 37.7 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.096 179.523 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' ASP . . . . . 0.404 ' OD1' ' HG3' ' A' ' 26' ' ' LYS . 24.9 m-20 -61.18 125.13 22.64 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.706 179.209 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' TYR . . . . . 0.558 ' HB3' HG13 ' A' ' 25' ' ' ILE . 33.7 t80 -129.5 111.43 12.75 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.018 -0.537 . . . . 0.0 109.923 173.814 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 46.3 t -84.66 131.48 33.93 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.658 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.115 179.051 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.538 ' HB1' ' HB2' ' A' ' 22' ' ' GLU . . . -92.04 175.21 6.95 Favored 'General case' 0 N--CA 1.448 -0.55 0 CA-C-N 116.009 -0.541 . . . . 0.0 109.729 179.87 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 71.3 mt-30 -82.54 -70.29 0.56 Allowed 'General case' 0 C--N 1.314 -0.945 0 C-N-CA 120.209 -0.597 . . . . 0.0 109.671 177.356 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' GLN . . . . . 0.655 ' HB2' ' HG2' ' A' ' 21' ' ' GLN . 32.2 mm-40 -128.05 -177.22 4.05 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.603 -0.726 . . . . 0.0 109.673 -178.109 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.505 ' HB3' ' HD2' ' A' ' 49' ' ' LYS . 8.0 mp0 -70.8 -8.29 51.41 Favored 'General case' 0 C--N 1.329 -0.289 0 O-C-N 123.41 0.444 . . . . 0.0 111.352 -178.882 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.655 ' HG2' ' HB2' ' A' ' 19' ' ' GLN . 9.1 pt20 -73.2 -26.23 61.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.87 -0.605 . . . . 0.0 109.713 173.581 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.538 ' HB2' ' HB1' ' A' ' 17' ' ' ALA . 7.2 mm-40 -96.33 -179.33 4.6 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 107.786 -1.19 . . . . 0.0 107.786 177.578 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.878 ' HG ' HG23 ' A' ' 43' ' ' VAL . 0.6 OUTLIER -113.4 127.58 56.17 Favored 'General case' 0 C--N 1.32 -0.705 0 C-N-CA 119.707 -0.797 . . . . 0.0 109.149 176.012 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -102.95 125.5 49.73 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 109.522 -0.547 . . . . 0.0 109.522 179.292 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.711 HD13 HG12 ' A' ' 58' ' ' VAL . 1.5 pp -127.32 148.99 32.02 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-O 121.231 0.539 . . . . 0.0 110.734 -176.629 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.561 ' O ' ' HB3' ' A' ' 11' ' ' ALA . 0.0 OUTLIER -112.47 159.91 18.29 Favored 'General case' 0 C--N 1.313 -1.0 0 CA-C-O 120.988 0.423 . . . . 0.0 110.964 -178.882 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 5.2 ttpm? -63.41 130.3 43.86 Favored 'General case' 0 C--N 1.312 -1.027 0 N-CA-C 109.446 -0.576 . . . . 0.0 109.446 174.132 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 12.5 t30 70.13 14.57 7.7 Favored 'General case' 0 N--CA 1.47 0.567 0 CA-C-O 121.535 0.683 . . . . 0.0 110.698 179.259 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.522 ' HB2' ' HB3' ' A' ' 26' ' ' LYS . 34.9 tt0 -92.76 137.29 32.49 Favored 'General case' 0 C--N 1.328 -0.363 0 O-C-N 121.897 -0.502 . . . . 0.0 109.694 -177.689 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.478 ' O ' HD13 ' A' ' 31' ' ' LEU . 2.3 ptp85 -87.42 125.05 34.04 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-O 120.845 0.355 . . . . 0.0 110.525 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.546 HD12 ' HA ' ' A' ' 45' ' ' ASN . 1.2 mm? -118.11 165.58 13.6 Favored 'General case' 0 C--N 1.318 -0.766 0 N-CA-C 109.814 -0.439 . . . . 0.0 109.814 179.063 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' TRP . . . . . 0.443 ' HE3' ' O ' ' A' ' 44' ' ' ARG . 22.0 m-90 -101.62 122.49 43.97 Favored 'General case' 0 C--N 1.317 -0.805 0 N-CA-C 109.807 -0.442 . . . . 0.0 109.807 178.046 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.593 ' HA ' HG12 ' A' ' 43' ' ' VAL . 36.5 tp -96.99 118.67 33.92 Favored 'General case' 0 C--N 1.321 -0.63 0 CA-C-O 120.911 0.386 . . . . 0.0 110.849 -175.231 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -101.15 -52.94 3.14 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.333 -178.643 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' ASP . . . . . 0.592 ' HB3' ' HB3' ' A' ' 42' ' ' ARG . 28.6 t70 . . . . . 0 C--N 1.329 -0.315 0 CA-C-O 121.058 0.456 . . . . 0.0 111.848 -175.372 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.234 0.275 0 N-CA-C 109.813 -0.44 . . . . 0.0 109.813 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 16.5 m0 -86.67 137.91 32.08 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.004 -0.543 . . . . 0.0 112.195 -175.002 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.592 ' HB3' ' HB3' ' A' ' 35' ' ' ASP . 21.4 ttm180 -95.25 110.49 22.47 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.38 -0.827 . . . . 0.0 109.127 175.691 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.878 HG23 ' HG ' ' A' ' 23' ' ' LEU . 8.5 m -128.51 167.4 23.78 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.748 0 CA-C-O 121.408 0.623 . . . . 0.0 111.705 -175.183 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.443 ' O ' ' HE3' ' A' ' 32' ' ' TRP . 49.7 ttp180 -123.94 129.09 50.39 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 114.779 -1.101 . . . . 0.0 108.507 174.143 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' ASN . . . . . 0.546 ' HA ' HD12 ' A' ' 31' ' ' LEU . 32.4 p30 -91.74 -176.92 4.61 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 121.196 0.522 . . . . 0.0 111.562 -178.24 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 4.8 p -67.54 -15.32 63.6 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.399 -0.818 . . . . 0.0 111.707 -177.431 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 11.2 tpt -91.0 8.93 32.86 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.288 0.566 . . . . 0.0 110.066 178.946 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 28.8 m-80 62.45 30.97 17.32 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-N 115.462 -0.79 . . . . 0.0 111.243 173.592 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.505 ' HD2' ' HB3' ' A' ' 20' ' ' GLU . 24.2 mmtm -106.17 167.8 9.57 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 109.216 -0.661 . . . . 0.0 109.216 175.702 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 50' ' ' THR . . . . . 0.519 ' HA ' HD23 ' A' ' 23' ' ' LEU . 2.8 m -137.96 150.12 46.75 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.085 0.469 . . . . 0.0 111.285 -176.326 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 178.73 -157.45 21.06 Favored Glycine 0 N--CA 1.444 -0.822 0 N-CA-C 110.697 -0.961 . . . . 0.0 110.697 -178.938 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 96.9 m-85 -122.53 139.26 54.09 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 117.036 0.418 . . . . 0.0 110.499 -179.824 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.542 HG13 ' HB3' ' A' ' 23' ' ' LEU . 30.8 m -126.03 152.91 73.76 Favored Pre-proline 0 C--N 1.326 -0.418 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.995 -178.229 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 54' ' ' PRO . . . . . 0.562 ' O ' HG22 ' A' ' 58' ' ' VAL . 66.8 Cg_endo -71.88 124.93 10.55 Favored 'Trans proline' 0 CA--C 1.529 0.241 0 C-N-CA 123.323 2.682 . . . . 0.0 112.235 179.3 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 15.2 p -66.22 -11.52 50.47 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 112.496 0.554 . . . . 0.0 112.496 -175.221 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 64.5 t30 -86.31 -22.11 26.92 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.956 0.408 . . . . 0.0 110.685 179.37 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' TYR . . . . . 0.56 ' HB2' ' HG2' ' A' ' 54' ' ' PRO . 80.1 m-85 -105.09 -9.99 17.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.883 0.373 . . . . 0.0 111.0 -178.316 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.711 HG12 HD13 ' A' ' 25' ' ' ILE . 35.3 m -121.39 156.26 25.27 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.71 0 CA-C-O 120.894 0.378 . . . . 0.0 110.573 177.174 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.678 ' HG2' ' HB2' ' A' ' 12' ' ' LYS . 33.9 mm-40 . . . . . 0 C--N 1.318 -0.771 0 CA-C-N 115.759 -0.655 . . . . 0.0 109.778 178.925 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 87.7 t . . . . . 0 N--CA 1.45 -0.462 0 CA-C-O 121.34 0.591 . . . . 0.0 110.714 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.424 HG23 ' HB2' ' A' ' 31' ' ' LEU . 4.9 m -113.4 -175.16 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.313 -1.021 0 CA-C-N 114.839 -1.073 . . . . 0.0 109.536 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 10.0 p -140.6 160.26 24.49 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.852 0 N-CA-C 109.508 -0.552 . . . . 0.0 109.508 178.866 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.444 ' HB3' ' O ' ' A' ' 26' ' ' LYS . . . -101.92 146.03 28.41 Favored 'General case' 0 C--N 1.312 -1.047 0 CA-C-O 120.764 0.316 . . . . 0.0 111.415 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.484 ' O ' ' HG3' ' A' ' 27' ' ' LYS . 0.4 OUTLIER -92.43 -37.08 12.76 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.546 178.941 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 70.6 m-85 -138.59 151.61 47.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.654 0.264 . . . . 0.0 111.33 -179.133 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -52.02 126.04 17.26 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.67 -0.696 . . . . 0.0 111.383 170.314 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' TYR . . . . . 0.6 ' HB3' ' CG1' ' A' ' 25' ' ' ILE . 7.4 t80 -129.73 110.94 12.17 Favored 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 109.481 -0.562 . . . . 0.0 109.481 171.632 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 50.5 t -87.45 130.35 37.38 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.676 0 CA-C-N 115.524 -0.762 . . . . 0.0 109.823 178.961 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.455 ' HB1' ' HB2' ' A' ' 22' ' ' GLU . . . -91.78 145.29 24.69 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 115.766 -0.652 . . . . 0.0 109.317 -179.757 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 14.7 mt-30 -65.69 -46.95 77.12 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 120.874 0.368 . . . . 0.0 110.832 -176.91 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 11.5 mm100 -136.3 165.38 25.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.049 176.011 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 6.9 mp0 -70.85 -3.4 18.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.769 -174.838 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.404 ' HG3' ' HG2' ' A' ' 22' ' ' GLU . 13.9 pt20 -71.2 -17.29 62.53 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.536 0.684 . . . . 0.0 109.668 173.95 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.455 ' HB2' ' HB1' ' A' ' 17' ' ' ALA . 7.3 mm-40 -107.81 -178.78 3.71 Favored 'General case' 0 N--CA 1.448 -0.552 0 CA-C-N 114.88 -1.055 . . . . 0.0 108.962 178.155 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.798 HD11 ' HB3' ' A' ' 45' ' ' ASN . 0.6 OUTLIER -104.77 128.78 53.02 Favored 'General case' 0 C--N 1.321 -0.652 0 C-N-CA 120.351 -0.54 . . . . 0.0 109.891 -177.944 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -104.26 124.17 48.67 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 109.955 -0.387 . . . . 0.0 109.955 179.704 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.681 HD13 HG12 ' A' ' 58' ' ' VAL . 1.1 pt -126.84 169.15 18.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 121.372 0.606 . . . . 0.0 111.897 -174.807 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.552 ' HB3' ' HB2' ' A' ' 29' ' ' GLU . 54.5 tptt -133.63 151.03 51.59 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.348 -0.842 . . . . 0.0 109.24 -174.947 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.484 ' HG3' ' O ' ' A' ' 12' ' ' LYS . 84.8 tttt -58.72 128.25 36.28 Favored 'General case' 0 C--O 1.235 0.322 0 CA-C-N 117.984 0.356 . . . . 0.0 110.176 177.483 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 64.2 t30 68.58 20.34 8.39 Favored 'General case' 0 N--CA 1.469 0.488 0 CA-C-N 115.767 -0.651 . . . . 0.0 111.189 178.575 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.552 ' HB2' ' HB3' ' A' ' 26' ' ' LYS . 10.1 tp10 -93.6 148.5 22.04 Favored 'General case' 0 C--N 1.328 -0.357 0 O-C-N 121.887 -0.508 . . . . 0.0 109.638 174.808 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.619 ' O ' HD13 ' A' ' 31' ' ' LEU . 5.8 ptp180 -91.76 136.46 33.13 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.017 -177.167 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.619 HD13 ' O ' ' A' ' 30' ' ' ARG . 1.9 mm? -123.7 166.38 15.63 Favored 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 109.522 -0.547 . . . . 0.0 109.522 175.143 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' TRP . . . . . 0.406 ' HE3' ' O ' ' A' ' 44' ' ' ARG . 20.2 m-90 -107.59 117.68 34.74 Favored 'General case' 0 C--N 1.314 -0.961 0 N-CA-C 109.407 -0.59 . . . . 0.0 109.407 176.202 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.559 ' HA ' HG12 ' A' ' 43' ' ' VAL . 41.5 tp -92.57 114.46 27.02 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-O 120.979 0.419 . . . . 0.0 111.047 -173.642 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -99.64 -30.35 12.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.421 -179.726 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 4.4 t70 . . . . . 0 C--N 1.325 -0.472 0 CA-C-N 115.749 -0.66 . . . . 0.0 110.356 -175.843 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 13.3 m95 . . . . . 0 N--CA 1.454 -0.252 0 CA-C-O 120.961 0.41 . . . . 0.0 110.116 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 41' ' ' TRP . . . . . 0.473 ' O ' ' HA ' ' A' ' 52' ' ' PHE . 24.1 m0 -95.94 146.65 24.43 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.652 -175.777 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 5.0 ttm180 -108.46 111.46 23.36 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.113 -0.494 . . . . 0.0 109.875 -179.606 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.741 HG23 ' HG ' ' A' ' 23' ' ' LEU . 5.8 m -133.47 157.73 42.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-O 121.573 0.701 . . . . 0.0 112.468 -174.674 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.406 ' O ' ' HE3' ' A' ' 32' ' ' TRP . 47.6 ttt-85 -108.74 136.45 48.28 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 114.785 -1.098 . . . . 0.0 108.29 170.328 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' ASN . . . . . 0.798 ' HB3' HD11 ' A' ' 23' ' ' LEU . 35.9 p-10 -107.69 177.42 4.83 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-O 120.792 0.329 . . . . 0.0 111.019 -178.488 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 8.7 m -66.78 -11.92 56.81 Favored 'General case' 0 CA--C 1.533 0.305 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.502 -178.372 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 41.3 ttp -93.19 20.81 6.52 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.177 0.513 . . . . 0.0 109.798 179.43 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 9.0 p30 49.8 26.26 1.84 Allowed 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 124.553 1.141 . . . . 0.0 113.369 174.748 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 32.2 mmtp -106.88 167.94 9.54 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 109.47 -0.567 . . . . 0.0 109.47 175.106 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' THR . . . . . 0.558 ' HA ' HD23 ' A' ' 23' ' ' LEU . 3.9 m -141.83 151.94 43.22 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 120.912 0.387 . . . . 0.0 110.522 179.598 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 176.07 -160.2 28.0 Favored Glycine 0 N--CA 1.445 -0.706 0 N-CA-C 111.201 -0.76 . . . . 0.0 111.201 -178.388 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.473 ' HA ' ' O ' ' A' ' 41' ' ' TRP . 94.6 m-85 -112.29 143.27 43.66 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 120.971 0.415 . . . . 0.0 110.672 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.508 HG13 ' HB3' ' A' ' 23' ' ' LEU . 15.8 m -128.31 151.65 76.76 Favored Pre-proline 0 C--N 1.322 -0.624 0 CA-C-N 115.494 -0.775 . . . . 0.0 111.761 -179.009 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 54' ' ' PRO . . . . . 0.712 ' HG2' ' HB2' ' A' ' 57' ' ' TYR . 42.9 Cg_endo -68.09 133.25 28.28 Favored 'Trans proline' 0 C--O 1.234 0.286 0 C-N-CA 123.607 2.872 . . . . 0.0 112.765 176.958 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 47.0 t -68.54 -11.48 59.97 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.566 -179.392 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 18.0 m120 -86.46 -24.7 25.53 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.788 0.328 . . . . 0.0 110.984 179.427 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' TYR . . . . . 0.712 ' HB2' ' HG2' ' A' ' 54' ' ' PRO . 41.6 m-85 -98.82 -25.63 14.57 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.501 -0.318 . . . . 0.0 111.036 -177.214 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.681 HG12 HD13 ' A' ' 25' ' ' ILE . 15.9 m -110.14 166.68 5.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 N-CA-C 109.583 -0.525 . . . . 0.0 109.583 177.498 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 . . . . . 0 C--N 1.33 -0.269 0 CA-C-O 121.278 0.561 . . . . 0.0 112.061 -177.618 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 42.4 t . . . . . 0 N--CA 1.452 -0.369 0 CA-C-O 121.427 0.632 . . . . 0.0 111.311 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.708 ' HB ' ' O ' ' A' ' 59' ' ' GLU . 25.6 m -114.14 179.17 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.791 0 CA-C-N 114.787 -1.097 . . . . 0.0 108.9 177.054 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 11.9 p -140.63 145.85 25.06 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.797 0 N-CA-C 109.913 -0.403 . . . . 0.0 109.913 -178.72 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -87.41 145.84 26.12 Favored 'General case' 0 C--N 1.316 -0.864 0 CA-C-O 120.97 0.414 . . . . 0.0 111.957 -176.142 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.569 ' HD3' ' CD ' ' A' ' 59' ' ' GLU . 39.1 tptt -88.71 -43.9 10.97 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.798 -0.637 . . . . 0.0 109.956 -179.576 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.451 ' HB2' ' HD2' ' A' ' 57' ' ' TYR . 96.9 m-85 -135.85 164.73 27.26 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.683 -0.689 . . . . 0.0 110.182 179.909 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 13.1 m-20 -67.84 132.36 47.24 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.75 177.172 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' TYR . . . . . 0.542 ' HB3' ' CG1' ' A' ' 25' ' ' ILE . 10.3 t80 -135.81 111.6 9.42 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.096 0.474 . . . . 0.0 110.054 174.004 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 44.2 t -90.75 128.96 42.28 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 CA-C-N 115.905 -0.589 . . . . 0.0 109.815 178.874 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.545 ' HB1' ' HB2' ' A' ' 22' ' ' GLU . . . -81.32 137.78 35.74 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 109.516 -0.55 . . . . 0.0 109.516 -178.265 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 98.9 mt-30 -73.55 -29.72 62.61 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.254 0.549 . . . . 0.0 110.847 -177.972 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' GLN . . . . . 0.504 ' HB3' ' HG2' ' A' ' 21' ' ' GLN . 0.3 OUTLIER -139.09 156.38 47.21 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.605 -0.725 . . . . 0.0 109.526 174.975 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 -71.21 -3.2 18.97 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.904 0.383 . . . . 0.0 111.356 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.504 ' HG2' ' HB3' ' A' ' 19' ' ' GLN . 10.8 pt20 -70.72 -21.38 62.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.6 0.714 . . . . 0.0 109.295 172.699 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.545 ' HB2' ' HB1' ' A' ' 17' ' ' ALA . 6.6 mm-40 -101.44 -179.25 3.97 Favored 'General case' 0 N--CA 1.448 -0.537 0 CA-C-N 114.867 -1.06 . . . . 0.0 108.608 179.671 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.676 HD23 ' HA ' ' A' ' 50' ' ' THR . 0.6 OUTLIER -106.2 128.44 53.94 Favored 'General case' 0 C--N 1.32 -0.702 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 179.156 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -96.28 133.58 40.45 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 109.385 -0.598 . . . . 0.0 109.385 178.207 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.689 HD13 HG12 ' A' ' 58' ' ' VAL . 1.0 OUTLIER -134.11 160.14 41.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-O 121.234 0.54 . . . . 0.0 111.134 -177.376 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.549 ' HB3' ' HB2' ' A' ' 29' ' ' GLU . 4.5 tppp? -121.77 152.96 38.9 Favored 'General case' 0 C--N 1.32 -0.692 0 N-CA-C 108.8 -0.815 . . . . 0.0 108.8 -177.491 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 55.6 tttp -59.59 130.56 47.42 Favored 'General case' 0 C--N 1.326 -0.43 0 C-N-CA 120.896 -0.322 . . . . 0.0 110.411 178.589 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 4.8 t30 68.93 15.7 8.86 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.99 177.44 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.549 ' HB2' ' HB3' ' A' ' 26' ' ' LYS . 8.9 tp10 -94.26 152.31 18.78 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 122.019 -0.425 . . . . 0.0 110.243 -179.437 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.647 ' O ' HD13 ' A' ' 31' ' ' LEU . 6.3 ptp180 -91.15 140.9 29.38 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.421 -177.285 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.647 HD13 ' O ' ' A' ' 30' ' ' ARG . 2.2 mm? -127.45 168.64 14.61 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 109.223 -0.658 . . . . 0.0 109.223 175.018 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 20.3 m-90 -105.0 123.83 48.48 Favored 'General case' 0 C--N 1.315 -0.917 0 N-CA-C 109.566 -0.531 . . . . 0.0 109.566 174.779 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.555 ' HA ' HG12 ' A' ' 43' ' ' VAL . 37.5 tp -97.11 127.06 42.72 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 120.994 0.425 . . . . 0.0 111.282 -175.232 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -108.33 -39.31 5.49 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.362 179.455 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 18.9 t70 . . . . . 0 C--N 1.327 -0.385 0 CA-C-N 116.464 -0.335 . . . . 0.0 110.457 -176.163 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 40' ' ' TRP . . . . . 0.637 ' HB3' ' HB3' ' A' ' 52' ' ' PHE . 38.4 m0 . . . . . 0 C--O 1.231 0.083 0 CA-C-O 121.142 0.496 . . . . 0.0 110.352 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 46.1 m0 -98.97 146.86 25.58 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.373 -179.771 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 13.9 ttm-85 -93.43 107.77 19.55 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.291 178.081 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.567 HG23 ' HG ' ' A' ' 23' ' ' LEU . 5.0 m -131.95 170.89 18.97 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-N 115.74 -0.663 . . . . 0.0 111.619 -178.542 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.515 ' HG3' ' O ' ' A' ' 49' ' ' LYS . 16.3 ttm180 -136.62 131.44 33.71 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.171 -0.922 . . . . 0.0 109.964 176.942 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' ASN . . . . . 0.549 ' HB2' HD11 ' A' ' 23' ' ' LEU . 21.1 t-20 -93.68 177.43 6.01 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 108.624 -0.88 . . . . 0.0 108.624 175.782 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 18.2 p -70.23 -7.76 44.72 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.999 0.428 . . . . 0.0 111.208 179.591 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 15.3 tpt -73.65 -2.56 23.62 Favored 'General case' 0 CA--C 1.532 0.277 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.717 178.878 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 28.6 m-80 74.04 -6.36 1.85 Allowed 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 123.489 0.715 . . . . 0.0 111.767 174.809 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.515 ' O ' ' HG3' ' A' ' 44' ' ' ARG . 31.1 mmtp -82.85 165.96 19.36 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 109.526 -0.546 . . . . 0.0 109.526 175.164 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' THR . . . . . 0.676 ' HA ' HD23 ' A' ' 23' ' ' LEU . 4.5 m -143.08 154.88 44.4 Favored 'General case' 0 C--N 1.32 -0.704 0 N-CA-C 109.336 -0.616 . . . . 0.0 109.336 -177.568 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 173.07 -147.54 9.75 Favored Glycine 0 N--CA 1.444 -0.831 0 C-N-CA 120.525 -0.845 . . . . 0.0 112.331 -178.578 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.637 ' HB3' ' HB3' ' A' ' 40' ' ' TRP . 76.9 m-85 -119.46 146.92 44.98 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 120.575 0.226 . . . . 0.0 110.888 -176.236 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.45 HG13 ' HB3' ' A' ' 23' ' ' LEU . 29.7 m -132.56 151.73 78.71 Favored Pre-proline 0 C--N 1.325 -0.468 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.112 177.426 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 54' ' ' PRO . . . . . 0.668 ' HG2' ' HB2' ' A' ' 57' ' ' TYR . 52.8 Cg_endo -69.25 123.08 9.9 Favored 'Trans proline' 0 C--N 1.345 0.394 0 C-N-CA 123.401 2.734 . . . . 0.0 112.444 177.443 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 6.2 p -64.78 -20.62 66.47 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 112.577 0.584 . . . . 0.0 112.577 -175.841 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 95.2 m-20 -84.46 -8.88 58.81 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.572 0.225 . . . . 0.0 111.248 -179.779 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' TYR . . . . . 0.668 ' HB2' ' HG2' ' A' ' 54' ' ' PRO . 69.5 m-85 -114.43 -4.78 12.89 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.772 0.32 . . . . 0.0 110.871 -178.349 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.689 HG12 HD13 ' A' ' 25' ' ' ILE . 27.8 m -128.51 163.03 34.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.387 -0.369 . . . . 0.0 110.414 -179.359 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.708 ' O ' ' HB ' ' A' ' 9' ' ' VAL . 56.0 mt-10 . . . . . 0 C--N 1.325 -0.495 0 CA-C-O 121.213 0.53 . . . . 0.0 110.765 177.671 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 41.0 t . . . . . 0 N--CA 1.454 -0.255 0 CA-C-O 121.632 0.729 . . . . 0.0 111.585 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.4 HG11 ' HB2' ' A' ' 33' ' ' LEU . 30.8 m -118.88 -178.58 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 CA-C-N 114.541 -1.208 . . . . 0.0 108.92 178.116 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 12.2 p -140.87 141.07 32.28 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.76 0 C-N-CA 120.423 -0.511 . . . . 0.0 111.009 -178.228 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -82.26 145.79 29.82 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.532 -178.529 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.659 ' HB2' ' HG2' ' A' ' 59' ' ' GLU . 68.3 tttt -86.85 -52.19 5.63 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.48 -0.782 . . . . 0.0 109.628 -178.873 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.417 ' HB2' ' HD2' ' A' ' 57' ' ' TYR . 72.6 m-85 -132.87 165.9 23.57 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.597 -0.729 . . . . 0.0 109.597 177.772 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 14' ' ' ASP . . . . . 0.463 ' HB3' ' HD2' ' A' ' 26' ' ' LYS . 0.7 OUTLIER -75.73 139.07 41.67 Favored 'General case' 0 N--CA 1.447 -0.577 0 CA-C-O 121.377 0.608 . . . . 0.0 112.12 -178.139 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 15' ' ' TYR . . . . . 0.55 ' HB3' HG13 ' A' ' 25' ' ' ILE . 11.1 t80 -137.16 112.97 9.56 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 114.99 -1.005 . . . . 0.0 110.756 -178.893 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 54.0 t -85.88 135.58 24.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-N 116.168 -0.469 . . . . 0.0 109.966 176.483 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.543 ' HB1' ' HB2' ' A' ' 22' ' ' GLU . . . -105.81 160.29 15.35 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.175 -176.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 77.1 mt-30 -67.57 -65.58 0.67 Allowed 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.871 0.367 . . . . 0.0 110.73 -179.726 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' GLN . . . . . 0.587 ' HB2' ' HG2' ' A' ' 21' ' ' GLN . 44.6 mt-30 -122.39 166.9 13.99 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 109.101 -0.703 . . . . 0.0 109.101 176.775 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.984 ' HB2' ' HD3' ' A' ' 49' ' ' LYS . 1.2 pm0 -72.98 -1.51 17.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.719 0.295 . . . . 0.0 111.793 178.638 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.587 ' HG2' ' HB2' ' A' ' 19' ' ' GLN . 10.1 pt20 -64.1 -26.59 68.61 Favored 'General case' 0 C--N 1.333 -0.132 0 CA-C-O 121.908 0.861 . . . . 0.0 108.717 167.286 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.543 ' HB2' ' HB1' ' A' ' 17' ' ' ALA . 20.0 mm-40 -92.03 -179.21 5.22 Favored 'General case' 0 N--CA 1.446 -0.658 0 N-CA-C 107.363 -1.347 . . . . 0.0 107.363 174.145 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.839 ' HG ' HG23 ' A' ' 43' ' ' VAL . 0.6 OUTLIER -110.93 127.88 55.62 Favored 'General case' 0 C--N 1.316 -0.862 0 C-N-CA 119.584 -0.846 . . . . 0.0 109.225 175.868 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 6.5 p-10 -99.25 133.62 43.28 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 109.753 -0.462 . . . . 0.0 109.753 177.645 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.778 HD13 HG12 ' A' ' 58' ' ' VAL . 1.1 pt -135.73 159.8 39.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-O 121.237 0.542 . . . . 0.0 111.199 -176.276 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.463 ' HD2' ' HB3' ' A' ' 14' ' ' ASP . 53.7 tptt -124.43 158.28 33.15 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 109.501 -0.555 . . . . 0.0 109.501 -178.25 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -57.45 124.77 20.12 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.522 0.201 . . . . 0.0 110.802 177.167 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 66.3 t30 68.34 25.55 7.01 Favored 'General case' 0 N--CA 1.467 0.375 0 O-C-N 123.902 0.751 . . . . 0.0 110.742 178.725 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.414 ' HB2' ' HB3' ' A' ' 26' ' ' LYS . 8.2 tp10 -91.34 144.77 25.24 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.08 177.883 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.448 ' O ' HD13 ' A' ' 31' ' ' LEU . 16.7 ptt-85 -93.86 126.11 38.87 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-O 120.871 0.367 . . . . 0.0 110.412 -179.177 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.448 HD13 ' O ' ' A' ' 30' ' ' ARG . 1.4 mm? -118.52 168.61 10.51 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 109.973 -0.38 . . . . 0.0 109.973 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 12.1 m-90 -104.4 122.0 44.57 Favored 'General case' 0 C--N 1.319 -0.747 0 N-CA-C 109.682 -0.488 . . . . 0.0 109.682 175.392 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.523 ' HA ' HG12 ' A' ' 43' ' ' VAL . 45.5 tp -95.9 129.98 43.0 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 120.926 0.393 . . . . 0.0 111.31 -175.358 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -108.06 -46.7 3.7 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.831 -0.622 . . . . 0.0 109.954 177.77 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' ASP . . . . . 0.491 ' HB2' ' HB3' ' A' ' 42' ' ' ARG . 7.7 m-20 . . . . . 0 N--CA 1.467 0.376 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.715 -177.984 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' TRP . . . . . 0.546 ' HB3' ' HB3' ' A' ' 52' ' ' PHE . 13.2 m0 . . . . . 0 N--CA 1.448 -0.554 0 N-CA-C 109.665 -0.494 . . . . 0.0 109.665 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 50.2 m0 -96.31 137.33 35.55 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-O 121.003 0.43 . . . . 0.0 110.736 179.122 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.491 ' HB3' ' HB2' ' A' ' 35' ' ' ASP . 16.1 tpp85 -86.41 108.43 18.48 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.578 -0.737 . . . . 0.0 109.59 178.954 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.839 HG23 ' HG ' ' A' ' 23' ' ' LEU . 6.4 m -132.45 162.12 40.31 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.681 0 CA-C-O 121.446 0.641 . . . . 0.0 111.647 -177.624 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.448 ' HG2' ' O ' ' A' ' 49' ' ' LYS . 0.4 OUTLIER -126.19 125.82 43.07 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 114.653 -1.158 . . . . 0.0 108.743 178.206 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 45' ' ' ASN . . . . . 0.608 ' HB3' HD11 ' A' ' 23' ' ' LEU . 39.9 p30 -91.94 -178.55 5.04 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.196 0.522 . . . . 0.0 112.339 -175.147 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 15.0 m -69.66 -8.25 46.05 Favored 'General case' 0 CA--C 1.534 0.328 0 CA-C-N 115.386 -0.824 . . . . 0.0 111.902 -177.345 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 40.7 ttm -90.48 5.38 47.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.276 0.56 . . . . 0.0 109.521 177.645 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 27.4 m-80 69.81 14.7 8.02 Favored 'General case' 0 N--CA 1.467 0.412 0 CA-C-N 115.112 -0.949 . . . . 0.0 110.483 176.808 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.984 ' HD3' ' HB2' ' A' ' 20' ' ' GLU . 98.8 mttt -98.24 164.89 12.13 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.647 -0.706 . . . . 0.0 109.404 179.155 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 50' ' ' THR . . . . . 0.476 ' HA ' HD23 ' A' ' 23' ' ' LEU . 3.0 m -142.47 153.88 44.05 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 120.74 0.305 . . . . 0.0 110.681 -172.195 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 174.22 -147.77 9.49 Favored Glycine 0 N--CA 1.446 -0.645 0 N-CA-C 111.474 -0.65 . . . . 0.0 111.474 -179.22 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.546 ' HB3' ' HB3' ' A' ' 40' ' ' TRP . 87.7 m-85 -123.06 149.87 43.85 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 120.818 0.342 . . . . 0.0 110.622 -179.436 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.541 HG13 ' HB3' ' A' ' 23' ' ' LEU . 16.9 m -132.31 152.53 80.26 Favored Pre-proline 0 C--N 1.324 -0.528 0 CA-C-N 115.844 -0.616 . . . . 0.0 111.473 179.192 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 54' ' ' PRO . . . . . 0.53 ' O ' HG22 ' A' ' 58' ' ' VAL . 59.8 Cg_endo -72.06 125.05 10.55 Favored 'Trans proline' 0 C--N 1.343 0.24 0 C-N-CA 123.478 2.786 . . . . 0.0 111.798 175.924 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 1.7 p -67.66 -11.7 58.83 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 112.37 0.508 . . . . 0.0 112.37 -176.175 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 58.5 t30 -78.06 -25.82 47.95 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.088 0.47 . . . . 0.0 110.54 177.227 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' TYR . . . . . 0.436 ' HB2' ' HG2' ' A' ' 54' ' ' PRO . 86.1 m-85 -105.43 -9.61 17.43 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.618 -176.608 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.778 HG12 HD13 ' A' ' 25' ' ' ILE . 34.3 m -121.8 152.6 25.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-O 120.831 0.348 . . . . 0.0 111.165 -178.405 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.659 ' HG2' ' HB2' ' A' ' 12' ' ' LYS . 5.7 mm-40 . . . . . 0 C--N 1.328 -0.366 0 CA-C-N 116.004 -0.544 . . . . 0.0 109.631 -178.672 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 54.1 t . . . . . 0 N--CA 1.447 -0.591 0 CA-C-O 121.615 0.722 . . . . 0.0 111.025 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.662 ' HB ' ' O ' ' A' ' 59' ' ' GLU . 25.2 m -117.4 -175.87 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.314 -0.939 0 CA-C-N 114.493 -1.23 . . . . 0.0 109.186 179.684 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 8.8 p -140.57 137.51 36.04 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.791 0 CA-C-O 120.925 0.393 . . . . 0.0 110.291 -179.307 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.458 ' HB2' HD21 ' A' ' 31' ' ' LEU . . . -77.21 145.83 37.35 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-O 120.993 0.425 . . . . 0.0 111.679 -176.467 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.573 ' HD3' ' HG3' ' A' ' 59' ' ' GLU . 23.9 tptp -83.62 -52.85 6.1 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.16 -178.717 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 73.3 m-85 -129.23 166.73 18.82 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.364 -179.18 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 26.4 m-20 -68.18 131.66 45.79 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.501 176.481 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' TYR . . . . . 0.57 ' HB3' ' CG1' ' A' ' 25' ' ' ILE . 18.8 t80 -135.63 111.02 9.08 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.102 173.617 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 45.0 t -90.47 133.45 32.28 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.737 0 CA-C-N 115.684 -0.689 . . . . 0.0 109.39 177.718 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.635 ' HB1' ' HG3' ' A' ' 22' ' ' GLU . . . -98.58 159.17 15.13 Favored 'General case' 0 C--N 1.32 -0.715 0 N-CA-C 109.383 -0.599 . . . . 0.0 109.383 -179.436 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 98.8 mt-30 -78.89 -43.23 25.35 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 120.832 0.349 . . . . 0.0 111.224 -176.898 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' GLN . . . . . 0.559 ' HB3' ' HG2' ' A' ' 21' ' ' GLN . 13.2 tt0 -136.93 166.26 24.05 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 109.54 -0.541 . . . . 0.0 109.54 -179.623 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 -71.21 -2.49 16.16 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.721 -0.218 . . . . 0.0 111.397 -178.612 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.559 ' HG2' ' HB3' ' A' ' 19' ' ' GLN . 12.1 pt20 -69.16 -28.33 66.34 Favored 'General case' 0 C--O 1.232 0.165 0 CA-C-O 121.243 0.544 . . . . 0.0 110.053 176.94 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.635 ' HG3' ' HB1' ' A' ' 17' ' ' ALA . 3.8 pt-20 -104.6 -178.87 3.78 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.502 -0.772 . . . . 0.0 109.037 173.836 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.533 ' HB3' HG13 ' A' ' 53' ' ' VAL . 1.0 OUTLIER -104.41 127.66 52.13 Favored 'General case' 0 C--N 1.319 -0.728 0 C-N-CA 120.064 -0.654 . . . . 0.0 109.799 -176.642 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -97.81 121.29 39.55 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.628 -0.715 . . . . 0.0 109.204 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.777 HD13 HG12 ' A' ' 58' ' ' VAL . 1.2 pt -120.56 175.1 4.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 121.278 0.561 . . . . 0.0 111.258 -175.787 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.55 ' HB3' ' HB2' ' A' ' 29' ' ' GLU . 14.6 tptp -139.0 155.04 48.29 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 109.402 -0.592 . . . . 0.0 109.402 -177.827 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 53.3 tttm -59.98 127.41 31.77 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.753 0.311 . . . . 0.0 111.059 179.104 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 7.1 t30 64.65 21.91 12.5 Favored 'General case' 0 CA--C 1.537 0.462 0 CA-C-N 115.326 -0.852 . . . . 0.0 110.828 178.214 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.55 ' HB2' ' HB3' ' A' ' 26' ' ' LYS . 10.3 tp10 -90.36 144.63 25.63 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 109.157 -0.683 . . . . 0.0 109.157 177.352 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.539 ' O ' HD13 ' A' ' 31' ' ' LEU . 6.9 ptp85 -87.74 131.01 34.64 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-O 120.765 0.317 . . . . 0.0 110.147 -178.039 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.539 HD13 ' O ' ' A' ' 30' ' ' ARG . 1.5 mm? -121.1 162.85 19.32 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 109.687 -0.486 . . . . 0.0 109.687 177.002 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' TRP . . . . . 0.482 ' HB2' ' HB3' ' A' ' 44' ' ' ARG . 17.8 m-90 -96.05 121.64 38.03 Favored 'General case' 0 C--N 1.316 -0.88 0 N-CA-C 109.091 -0.707 . . . . 0.0 109.091 174.513 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.553 HD22 HG11 ' A' ' 9' ' ' VAL . 30.9 tp -96.94 115.37 27.31 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 121.13 0.491 . . . . 0.0 111.297 -174.735 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -102.34 -30.74 10.87 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.21 179.144 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 14.5 t70 . . . . . 0 C--N 1.328 -0.326 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.217 -177.394 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 40' ' ' TRP . . . . . 0.582 ' HA ' ' O ' ' A' ' 53' ' ' VAL . 26.9 m95 . . . . . 0 N--CA 1.462 0.17 0 CA-C-O 121.445 0.64 . . . . 0.0 110.952 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 53.0 m0 -84.79 142.75 29.57 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.559 -0.746 . . . . 0.0 110.187 -177.815 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 62.3 ttt180 -90.74 111.39 22.74 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 109.516 -0.55 . . . . 0.0 109.516 178.913 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.54 HG12 ' HA ' ' A' ' 33' ' ' LEU . 6.2 m -132.11 164.57 34.43 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.721 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.975 -174.788 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.482 ' HB3' ' HB2' ' A' ' 32' ' ' TRP . 34.5 ttm180 -123.82 130.66 52.97 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 114.883 -1.053 . . . . 0.0 109.371 175.928 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' ASN . . . . . 0.412 ' HA ' HD12 ' A' ' 31' ' ' LEU . 21.9 t-20 -91.46 170.91 9.57 Favored 'General case' 0 C--N 1.32 -0.678 0 N-CA-C 109.119 -0.697 . . . . 0.0 109.119 176.49 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 11.9 p -68.4 -9.04 45.64 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.829 0.347 . . . . 0.0 111.297 -179.573 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' MET . . . . . 0.412 ' O ' ' HG3' ' A' ' 47' ' ' MET . 48.4 tpp -81.64 5.45 18.19 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 121.436 0.636 . . . . 0.0 109.892 175.539 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 35.9 m-80 68.5 11.21 8.27 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-N 115.494 -0.776 . . . . 0.0 111.313 174.397 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.768 ' HA ' ' HE3' ' A' ' 49' ' ' LYS . 0.0 OUTLIER -86.0 155.0 21.05 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 108.822 -0.807 . . . . 0.0 108.822 174.791 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 2.1 m -138.13 150.61 46.99 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 120.861 0.362 . . . . 0.0 110.593 177.266 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 173.7 -158.47 27.59 Favored Glycine 0 N--CA 1.445 -0.752 0 N-CA-C 111.633 -0.587 . . . . 0.0 111.633 -178.977 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.419 ' HB3' ' HB3' ' A' ' 40' ' ' TRP . 97.6 m-85 -114.01 144.63 42.79 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 109.75 -0.463 . . . . 0.0 109.75 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.582 ' O ' ' HA ' ' A' ' 40' ' ' TRP . 17.7 m -128.86 153.61 80.01 Favored Pre-proline 0 C--N 1.32 -0.68 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.442 -179.131 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 17.8 Cg_endo -58.45 118.15 4.98 Favored 'Trans proline' 0 N--CA 1.463 -0.303 0 C-N-CA 123.019 2.479 . . . . 0.0 111.333 173.521 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -65.91 -10.72 41.28 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.801 -0.636 . . . . 0.0 112.123 -174.648 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 17.7 m120 -89.4 -16.3 31.25 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.708 0.29 . . . . 0.0 111.327 179.905 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 39.8 m-85 -107.89 -7.1 16.35 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.994 0.426 . . . . 0.0 111.165 -176.734 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.777 HG12 HD13 ' A' ' 25' ' ' ILE . 34.7 m -122.5 152.99 27.03 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 CA-C-N 115.969 -0.56 . . . . 0.0 109.853 178.53 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.662 ' O ' ' HB ' ' A' ' 9' ' ' VAL . 6.0 mm-40 . . . . . 0 C--N 1.324 -0.537 0 CA-C-O 121.205 0.526 . . . . 0.0 110.881 -176.291 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 52.9 t . . . . . 0 N--CA 1.444 -0.756 0 CA-C-O 121.762 0.791 . . . . 0.0 110.865 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.575 ' HB ' ' O ' ' A' ' 59' ' ' GLU . 11.8 m -106.84 175.87 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.31 -1.126 0 CA-C-N 114.49 -1.232 . . . . 0.0 109.123 178.637 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 14.6 p -133.55 147.9 30.87 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.033 0 CA-C-O 121.08 0.466 . . . . 0.0 109.899 -178.577 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.482 ' HB1' HD12 ' A' ' 25' ' ' ILE . . . -86.67 145.34 26.74 Favored 'General case' 0 C--N 1.314 -0.954 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.005 -179.506 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.419 ' HB2' ' HG2' ' A' ' 59' ' ' GLU . 56.1 tttt -97.19 -41.41 8.32 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.67 -0.696 . . . . 0.0 110.218 -176.595 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 91.2 m-85 -140.66 149.38 42.18 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.543 -179.063 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 13.5 m-20 -47.52 125.97 9.14 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.258 -0.883 . . . . 0.0 112.939 176.315 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' TYR . . . . . 0.505 ' HB3' ' CG1' ' A' ' 25' ' ' ILE . 8.4 t80 -136.62 110.35 8.1 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.837 -0.62 . . . . 0.0 109.6 168.223 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 47.9 t -95.04 131.27 42.3 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.747 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.134 179.294 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -97.26 149.23 22.29 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.879 -0.601 . . . . 0.0 109.631 178.624 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 47.8 mm-40 -79.69 -59.68 2.64 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-O 121.194 0.521 . . . . 0.0 111.888 -178.759 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' GLN . . . . . 0.569 ' HB2' ' HG2' ' A' ' 21' ' ' GLN . 38.2 mt-30 -108.3 164.56 12.21 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.112 -179.287 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 23.1 mt-10 -71.84 -3.66 23.55 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.365 -176.191 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.569 ' HG2' ' HB2' ' A' ' 19' ' ' GLN . 8.9 pt20 -69.26 -21.53 63.89 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.508 177.018 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.506 ' HA ' ' HA3' ' A' ' 51' ' ' GLY . 5.9 mm-40 -112.07 176.92 4.82 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.744 -0.662 . . . . 0.0 109.902 179.102 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.8 ' HG ' HG23 ' A' ' 43' ' ' VAL . 0.7 OUTLIER -104.78 129.01 53.11 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 109.481 -0.562 . . . . 0.0 109.481 -179.562 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 2.9 p-10 -99.65 135.17 41.47 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 109.681 -0.488 . . . . 0.0 109.681 178.018 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.719 HD13 HG12 ' A' ' 58' ' ' VAL . 1.1 pt -133.55 175.38 11.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-O 120.981 0.419 . . . . 0.0 111.056 -176.89 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.502 ' HB3' ' HB2' ' A' ' 29' ' ' GLU . 26.7 tptp -143.41 151.74 40.75 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 108.543 -0.91 . . . . 0.0 108.543 -177.919 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 58.6 tttp -55.15 126.17 23.67 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 118.018 0.372 . . . . 0.0 110.191 176.035 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 72.57 22.31 3.34 Favored 'General case' 0 N--CA 1.469 0.495 0 O-C-N 124.003 0.814 . . . . 0.0 110.613 177.531 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.502 ' HB2' ' HB3' ' A' ' 26' ' ' LYS . 8.6 tp10 -97.24 149.76 21.67 Favored 'General case' 0 C--N 1.331 -0.216 0 N-CA-C 109.643 -0.503 . . . . 0.0 109.643 177.482 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.704 ' O ' HD13 ' A' ' 31' ' ' LEU . 0.0 OUTLIER -96.43 136.64 36.65 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 120.506 0.193 . . . . 0.0 110.774 -177.877 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.704 HD13 ' O ' ' A' ' 30' ' ' ARG . 1.8 mm? -128.53 166.42 18.85 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 110.045 -0.354 . . . . 0.0 110.045 177.842 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 8.0 m-90 -104.66 121.62 43.94 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 109.567 -0.531 . . . . 0.0 109.567 176.745 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.557 ' HA ' HG12 ' A' ' 43' ' ' VAL . 36.8 tp -95.85 118.88 33.33 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 121.136 0.493 . . . . 0.0 111.192 -176.11 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -98.31 -45.88 6.01 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.272 -179.105 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' ASP . . . . . 0.524 ' HB3' ' HD3' ' A' ' 42' ' ' ARG . 25.1 t70 . . . . . 0 C--N 1.328 -0.351 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.999 -177.402 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' TRP . . . . . 0.476 ' CD1' ' HA ' ' A' ' 54' ' ' PRO . 42.0 m0 . . . . . 0 C--O 1.235 0.299 0 N-CA-C 110.22 -0.289 . . . . 0.0 110.22 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' TRP . . . . . 0.515 ' CE3' HG23 ' A' ' 58' ' ' VAL . 39.7 m0 -117.49 144.24 45.25 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 121.432 0.634 . . . . 0.0 111.371 178.71 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.524 ' HD3' ' HB3' ' A' ' 35' ' ' ASP . 66.5 ttt180 -99.78 105.94 17.78 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 114.926 -1.034 . . . . 0.0 110.63 -174.94 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.8 HG23 ' HG ' ' A' ' 23' ' ' LEU . 6.1 m -129.07 168.87 21.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 121.365 0.602 . . . . 0.0 112.474 -173.547 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.615 ' HG2' ' O ' ' A' ' 49' ' ' LYS . 1.1 tmm_? -138.34 123.46 19.15 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 114.871 -1.058 . . . . 0.0 108.321 179.575 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' ASN . . . . . 0.604 ' O ' ' HD2' ' A' ' 44' ' ' ARG . 40.4 p30 -93.21 -177.47 4.47 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.823 0.344 . . . . 0.0 111.35 -176.84 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 28.1 t -66.82 -14.55 62.79 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.66 -176.579 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' MET . . . . . 0.8 ' HG2' ' HE2' ' A' ' 49' ' ' LYS . 35.9 ttm -87.35 9.81 19.33 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.184 0.516 . . . . 0.0 109.98 -179.314 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 48' ' ' ASN . . . . . 0.405 ' HA ' ' HD3' ' A' ' 44' ' ' ARG . 29.9 m-80 67.47 14.19 9.54 Favored 'General case' 0 N--CA 1.466 0.37 0 CA-C-N 115.489 -0.778 . . . . 0.0 111.45 174.077 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.8 ' HE2' ' HG2' ' A' ' 47' ' ' MET . 71.6 mmtt -87.87 158.17 18.79 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 109.695 -0.483 . . . . 0.0 109.695 178.28 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 3.6 m -136.86 153.08 50.86 Favored 'General case' 0 C--N 1.32 -0.689 0 N-CA-C 110.328 -0.249 . . . . 0.0 110.328 176.407 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' GLY . . . . . 0.506 ' HA3' ' HA ' ' A' ' 22' ' ' GLU . . . 171.96 -172.04 44.5 Favored Glycine 0 N--CA 1.445 -0.74 0 N-CA-C 111.599 -0.6 . . . . 0.0 111.599 -178.934 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 80.8 m-85 -105.06 133.16 50.3 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.996 0.427 . . . . 0.0 110.357 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.494 HG13 ' HB3' ' A' ' 23' ' ' LEU . 21.6 m -117.02 144.4 33.49 Favored Pre-proline 0 C--N 1.321 -0.644 0 CA-C-N 115.582 -0.736 . . . . 0.0 111.156 179.198 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 54' ' ' PRO . . . . . 0.518 ' HG2' ' HB2' ' A' ' 57' ' ' TYR . 19.2 Cg_endo -57.09 125.48 19.09 Favored 'Trans proline' 0 C--O 1.234 0.314 0 C-N-CA 123.572 2.848 . . . . 0.0 112.004 177.861 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 7.0 m -67.26 -11.52 57.7 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.73 -0.668 . . . . 0.0 111.936 -174.265 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 21.8 m120 -93.22 -14.77 26.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.629 0.252 . . . . 0.0 111.548 179.347 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' TYR . . . . . 0.518 ' HB2' ' HG2' ' A' ' 54' ' ' PRO . 55.0 m-85 -103.6 -8.81 19.71 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.828 0.347 . . . . 0.0 110.986 -178.577 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.719 HG12 HD13 ' A' ' 25' ' ' ILE . 21.6 m -127.57 158.75 38.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 N-CA-C 110.008 -0.368 . . . . 0.0 110.008 179.497 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.575 ' O ' ' HB ' ' A' ' 9' ' ' VAL . 5.8 mm-40 . . . . . 0 C--N 1.329 -0.3 0 CA-C-O 120.924 0.392 . . . . 0.0 111.261 -177.923 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 46.4 t . . . . . 0 N--CA 1.454 -0.258 0 CA-C-O 121.475 0.655 . . . . 0.0 111.434 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 5.6 m -116.62 174.62 3.42 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.72 0 CA-C-N 114.871 -1.059 . . . . 0.0 109.163 174.355 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 14.4 p -137.04 155.38 32.6 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.793 0 N-CA-C 109.679 -0.489 . . . . 0.0 109.679 -178.04 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.476 ' HA ' ' HA ' ' A' ' 58' ' ' VAL . . . -108.62 146.85 32.73 Favored 'General case' 0 C--N 1.32 -0.686 0 N-CA-C 111.418 0.155 . . . . 0.0 111.418 -178.743 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.534 ' O ' ' HG3' ' A' ' 27' ' ' LYS . 3.8 ttmp? -89.42 -44.91 9.84 Favored 'General case' 0 C--N 1.329 -0.315 0 C-N-CA 121.023 -0.271 . . . . 0.0 110.625 176.222 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 65.5 m-85 -122.54 148.16 45.52 Favored 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 120.821 -0.352 . . . . 0.0 111.039 -179.931 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' ASP . . . . . 0.608 ' HB3' ' HD3' ' A' ' 26' ' ' LYS . 1.0 OUTLIER -68.21 143.16 55.44 Favored 'General case' 0 N--CA 1.446 -0.656 0 CA-C-O 121.475 0.655 . . . . 0.0 112.15 179.962 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 15' ' ' TYR . . . . . 0.53 ' HB3' ' CG1' ' A' ' 25' ' ' ILE . 10.5 t80 -137.99 119.1 14.44 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 114.884 -1.053 . . . . 0.0 110.091 177.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 47.9 t -93.3 133.35 34.72 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 N-CA-C 109.887 -0.412 . . . . 0.0 109.887 178.333 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.544 ' HB1' ' HB2' ' A' ' 22' ' ' GLU . . . -98.58 164.16 12.37 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.043 -0.526 . . . . 0.0 109.999 -178.75 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 20.3 mt-30 -80.67 -51.9 8.17 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 120.869 -0.332 . . . . 0.0 111.272 -174.535 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' GLN . . . . . 0.453 ' HB3' ' HG2' ' A' ' 21' ' ' GLN . 24.7 tp60 -131.31 170.69 14.28 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 179.579 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.598 ' HB3' ' HD2' ' A' ' 49' ' ' LYS . 1.8 mp0 -70.75 -3.47 18.89 Favored 'General case' 0 N--CA 1.469 0.482 0 CA-C-O 120.783 0.325 . . . . 0.0 111.304 -178.631 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.453 ' HG2' ' HB3' ' A' ' 19' ' ' GLN . 24.1 pt20 -70.44 -20.13 62.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.61 0.719 . . . . 0.0 109.366 173.026 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.544 ' HB2' ' HB1' ' A' ' 17' ' ' ALA . 3.6 mt-10 -105.51 -178.63 3.71 Favored 'General case' 0 N--CA 1.449 -0.497 0 CA-C-N 114.643 -1.162 . . . . 0.0 109.134 178.073 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.704 ' HG ' HG23 ' A' ' 43' ' ' VAL . 0.8 OUTLIER -115.15 128.73 56.38 Favored 'General case' 0 C--N 1.323 -0.587 0 N-CA-C 110.04 -0.356 . . . . 0.0 110.04 -178.719 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 4.0 p-10 -95.36 135.26 37.2 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 109.415 -0.587 . . . . 0.0 109.415 177.441 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.765 HD13 HG12 ' A' ' 58' ' ' VAL . 1.0 OUTLIER -135.08 158.38 41.1 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 C-N-CA 120.608 -0.437 . . . . 0.0 110.968 -179.229 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.611 ' HB3' ' HB2' ' A' ' 29' ' ' GLU . 4.0 tppp? -126.99 158.61 36.45 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 116.468 -0.333 . . . . 0.0 110.156 -177.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.534 ' HG3' ' O ' ' A' ' 12' ' ' LYS . 82.2 tttt -55.61 124.65 18.06 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.294 172.499 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 12.3 t-20 69.03 20.77 7.64 Favored 'General case' 0 N--CA 1.47 0.545 0 O-C-N 123.89 0.744 . . . . 0.0 110.705 179.868 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.611 ' HB2' ' HB3' ' A' ' 26' ' ' LYS . 9.5 tp10 -92.1 145.62 24.37 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 121.942 -0.473 . . . . 0.0 109.916 178.707 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.51 ' O ' HD13 ' A' ' 31' ' ' LEU . 9.3 ptt180 -96.3 129.74 43.56 Favored 'General case' 0 C--N 1.316 -0.863 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.209 -178.52 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.51 HD13 ' O ' ' A' ' 30' ' ' ARG . 1.5 mm? -120.51 165.38 15.05 Favored 'General case' 0 C--N 1.314 -0.971 0 N-CA-C 109.372 -0.603 . . . . 0.0 109.372 178.953 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' TRP . . . . . 0.571 ' HB2' ' HB3' ' A' ' 44' ' ' ARG . 24.5 m-90 -105.54 122.13 45.39 Favored 'General case' 0 C--N 1.314 -0.967 0 N-CA-C 109.551 -0.537 . . . . 0.0 109.551 176.106 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.531 ' HA ' HG12 ' A' ' 43' ' ' VAL . 37.6 tp -97.8 114.69 26.78 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 120.885 0.374 . . . . 0.0 111.053 -175.044 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -101.27 -36.79 8.78 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.919 -176.86 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 22.7 t0 . . . . . 0 C--N 1.328 -0.353 0 CA-C-N 116.503 -0.317 . . . . 0.0 110.721 -175.904 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 33.0 m95 . . . . . 0 N--CA 1.452 -0.361 0 N-CA-C 109.623 -0.51 . . . . 0.0 109.623 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 41' ' ' TRP . . . . . 0.549 ' O ' ' HA ' ' A' ' 52' ' ' PHE . 41.8 m0 -95.23 140.83 29.58 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.246 -179.429 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.441 ' HA ' ' O ' ' A' ' 51' ' ' GLY . 56.0 ttt180 -88.21 110.15 20.48 Favored 'General case' 0 C--O 1.237 0.438 0 N-CA-C 109.567 -0.531 . . . . 0.0 109.567 179.466 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.704 HG23 ' HG ' ' A' ' 23' ' ' LEU . 4.1 m -129.19 166.9 25.63 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 CA-C-N 115.559 -0.746 . . . . 0.0 111.92 -175.361 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.571 ' HB3' ' HB2' ' A' ' 32' ' ' TRP . 57.2 ttt-85 -123.06 130.85 53.33 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 114.858 -1.065 . . . . 0.0 109.12 176.699 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 45' ' ' ASN . . . . . 0.558 ' H ' HD21 ' A' ' 23' ' ' LEU . 52.8 t30 -94.09 172.89 7.94 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 120.845 0.355 . . . . 0.0 110.65 -179.913 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 45.1 t -66.28 -17.34 64.69 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.482 177.928 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' MET . . . . . 0.427 ' O ' ' HG2' ' A' ' 49' ' ' LYS . 27.9 ttt -80.1 16.15 1.31 Allowed 'General case' 0 CA--C 1.533 0.308 0 CA-C-N 116.121 -0.49 . . . . 0.0 109.967 176.343 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 4.6 p30 48.09 32.12 2.81 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 123.987 0.915 . . . . 0.0 112.431 178.876 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.598 ' HD2' ' HB3' ' A' ' 20' ' ' GLU . 69.5 mmtt -104.22 165.25 11.17 Favored 'General case' 0 N--CA 1.45 -0.471 0 N-CA-C 108.728 -0.841 . . . . 0.0 108.728 172.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 2.4 m -136.33 150.36 48.83 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 120.729 0.3 . . . . 0.0 110.416 178.375 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' GLY . . . . . 0.441 ' O ' ' HA ' ' A' ' 42' ' ' ARG . . . 174.95 -155.14 20.1 Favored Glycine 0 N--CA 1.448 -0.502 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.933 -178.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.549 ' HA ' ' O ' ' A' ' 41' ' ' TRP . 91.9 m-85 -120.78 144.12 48.47 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 110.121 -0.326 . . . . 0.0 110.121 -178.277 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.503 HG13 ' HB3' ' A' ' 23' ' ' LEU . 28.7 m -129.74 158.03 74.86 Favored Pre-proline 0 C--N 1.323 -0.544 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.68 -179.113 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 54' ' ' PRO . . . . . 0.513 ' HG2' ' HB2' ' A' ' 57' ' ' TYR . 59.6 Cg_endo -74.3 133.12 17.27 Favored 'Trans proline' 0 C--N 1.346 0.446 0 C-N-CA 123.049 2.499 . . . . 0.0 112.582 176.788 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 8.5 p -71.83 -10.82 60.33 Favored 'General case' 0 C--N 1.327 -0.413 0 N-CA-C 112.811 0.671 . . . . 0.0 112.811 -175.412 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' ASN . . . . . 0.44 ' OD1' ' HB2' ' A' ' 54' ' ' PRO . 21.6 p-10 -94.37 -1.47 53.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.717 0.294 . . . . 0.0 111.622 179.919 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 57' ' ' TYR . . . . . 0.513 ' HB2' ' HG2' ' A' ' 54' ' ' PRO . 52.1 m-85 -114.37 -28.44 7.23 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.808 0.337 . . . . 0.0 110.618 177.445 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.765 HG12 HD13 ' A' ' 25' ' ' ILE . 35.0 m -107.95 160.33 7.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 N-CA-C 109.473 -0.566 . . . . 0.0 109.473 178.4 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.414 ' OE2' ' HB2' ' A' ' 12' ' ' LYS . 45.3 mt-10 . . . . . 0 C--N 1.322 -0.61 0 CA-C-O 121.48 0.657 . . . . 0.0 112.05 -176.12 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.445 ' CG1' ' HB2' ' A' ' 30' ' ' ARG . 47.1 t . . . . . 0 N--CA 1.445 -0.676 0 CA-C-O 121.433 0.635 . . . . 0.0 111.39 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.49 ' HB ' ' O ' ' A' ' 59' ' ' GLU . 12.4 m -105.59 176.32 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.316 -0.868 0 CA-C-N 114.78 -1.1 . . . . 0.0 108.575 175.303 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 14.1 p -131.95 155.37 41.53 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.821 0 C-N-CA 120.75 -0.38 . . . . 0.0 110.259 -178.599 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -97.86 146.36 25.51 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 120.974 0.416 . . . . 0.0 111.287 179.616 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.462 ' HB2' ' HE3' ' A' ' 12' ' ' LYS . 38.0 ttmt -90.23 -45.47 9.06 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.943 -0.572 . . . . 0.0 110.185 -178.49 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.437 ' HB2' ' CD2' ' A' ' 57' ' ' TYR . 65.1 m-85 -136.94 168.92 18.66 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.51 179.757 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 34.0 m-20 -69.05 133.69 48.43 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.549 178.981 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' TYR . . . . . 0.564 ' HB3' ' CG1' ' A' ' 25' ' ' ILE . 7.6 t80 -135.61 111.4 9.38 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.714 -0.675 . . . . 0.0 109.53 171.83 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.438 ' HA ' ' OD1' ' A' ' 24' ' ' ASP . 40.7 t -94.36 126.4 46.79 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.311 -179.784 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -87.36 131.53 34.25 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.934 -0.575 . . . . 0.0 109.47 179.713 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 60.5 tt0 -61.96 -38.9 90.24 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 121.013 0.435 . . . . 0.0 111.339 -175.756 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 81.3 mm-40 -129.6 156.42 44.24 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.066 -0.516 . . . . 0.0 109.924 178.988 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -71.19 -3.05 18.09 Favored 'General case' 0 N--CA 1.464 0.249 0 N-CA-C 111.954 0.353 . . . . 0.0 111.954 -176.822 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 12.7 pt20 -72.52 -17.62 61.72 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.143 0.497 . . . . 0.0 110.459 175.972 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 71.3 mm-40 -108.19 -177.88 3.45 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.497 -0.774 . . . . 0.0 109.615 176.686 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.809 ' HG ' HG23 ' A' ' 43' ' ' VAL . 0.8 OUTLIER -103.4 128.26 50.57 Favored 'General case' 0 C--N 1.32 -0.69 0 C-N-CA 120.642 -0.423 . . . . 0.0 110.206 -175.923 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 24' ' ' ASP . . . . . 0.438 ' OD1' ' HA ' ' A' ' 16' ' ' VAL . 24.9 t70 -97.21 121.72 39.42 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.225 -0.443 . . . . 0.0 109.852 176.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.751 HD13 HG12 ' A' ' 58' ' ' VAL . 0.9 OUTLIER -121.11 162.59 19.8 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 CA-C-O 120.922 0.392 . . . . 0.0 110.469 -179.321 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.453 ' HD3' ' HA ' ' A' ' 26' ' ' LYS . 0.4 OUTLIER -129.54 154.77 46.71 Favored 'General case' 0 C--N 1.319 -0.753 0 C-N-CA 120.786 -0.366 . . . . 0.0 110.031 -177.861 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 82.8 tttt -55.29 124.41 16.96 Favored 'General case' 0 C--N 1.319 -0.736 0 O-C-N 123.656 0.597 . . . . 0.0 111.205 179.545 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 64.5 t30 64.7 23.88 12.83 Favored 'General case' 0 CA--C 1.535 0.391 0 CA-C-N 115.646 -0.706 . . . . 0.0 111.007 176.593 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -100.07 155.1 17.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.227 -0.442 . . . . 0.0 109.911 178.997 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.628 ' O ' HD13 ' A' ' 31' ' ' LEU . 6.7 ptp180 -93.01 141.36 28.48 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 120.759 0.314 . . . . 0.0 111.044 -176.479 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.628 HD13 ' O ' ' A' ' 30' ' ' ARG . 2.3 mm? -129.16 167.77 17.11 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 109.616 -0.512 . . . . 0.0 109.616 175.305 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 18.5 m-90 -105.47 120.57 41.96 Favored 'General case' 0 C--N 1.317 -0.812 0 N-CA-C 109.486 -0.561 . . . . 0.0 109.486 173.855 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.619 ' HA ' HG12 ' A' ' 43' ' ' VAL . 41.9 tp -95.25 124.02 39.07 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 120.981 0.42 . . . . 0.0 111.195 -176.164 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -102.42 -51.05 3.43 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.626 -0.716 . . . . 0.0 110.078 178.227 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 . . . . . 0 C--N 1.328 -0.344 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.596 -176.528 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 40' ' ' TRP . . . . . 0.569 ' HB3' ' HB3' ' A' ' 52' ' ' PHE . 61.2 m95 . . . . . 0 N--CA 1.465 0.294 0 CA-C-O 121.071 0.462 . . . . 0.0 110.507 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' TRP . . . . . 0.436 ' O ' ' HA ' ' A' ' 52' ' ' PHE . 42.4 m0 -90.59 146.7 23.85 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.686 -177.173 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 21.5 ttp180 -95.62 113.74 25.41 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.991 0.424 . . . . 0.0 110.035 178.189 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.809 HG23 ' HG ' ' A' ' 23' ' ' LEU . 5.6 m -126.96 166.93 22.6 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 CA-C-N 115.562 -0.745 . . . . 0.0 111.389 -177.502 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.484 ' HG3' ' O ' ' A' ' 49' ' ' LYS . 39.2 ttt180 -133.95 127.29 32.1 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.464 -0.789 . . . . 0.0 109.822 176.837 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 45' ' ' ASN . . . . . 0.41 ' H ' HD21 ' A' ' 23' ' ' LEU . 28.3 t-20 -87.45 174.84 8.26 Favored 'General case' 0 C--N 1.32 -0.69 0 N-CA-C 109.193 -0.669 . . . . 0.0 109.193 178.537 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 6.2 p -68.27 -15.21 63.48 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.947 0.404 . . . . 0.0 111.096 -178.523 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 53.0 tpp -75.32 -3.23 32.27 Favored 'General case' 0 CA--C 1.533 0.312 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.191 174.687 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 22.9 m-80 71.12 9.74 6.72 Favored 'General case' 0 N--CA 1.468 0.442 0 C-N-CA 123.858 0.863 . . . . 0.0 111.756 174.965 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.484 ' O ' ' HG3' ' A' ' 44' ' ' ARG . 71.7 mmtt -74.3 155.09 38.58 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 108.22 -1.03 . . . . 0.0 108.22 172.44 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 50' ' ' THR . . . . . 0.427 ' HA ' HD23 ' A' ' 23' ' ' LEU . 3.0 m -133.82 153.12 51.96 Favored 'General case' 0 C--N 1.319 -0.736 0 N-CA-C 110.226 -0.287 . . . . 0.0 110.226 177.554 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 171.25 -169.36 42.42 Favored Glycine 0 N--CA 1.447 -0.595 0 C-N-CA 120.842 -0.695 . . . . 0.0 111.886 -179.401 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.569 ' HB3' ' HB3' ' A' ' 40' ' ' TRP . 91.3 m-85 -108.54 140.33 42.05 Favored 'General case' 0 N--CA 1.448 -0.56 0 CA-C-O 121.085 0.469 . . . . 0.0 110.362 -179.126 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 27.7 m -123.05 148.34 54.09 Favored Pre-proline 0 C--N 1.317 -0.815 0 CA-C-N 115.737 -0.665 . . . . 0.0 111.24 -179.106 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' PRO . . . . . 0.511 ' HG2' ' HB2' ' A' ' 57' ' ' TYR . 33.7 Cg_endo -64.88 128.67 21.36 Favored 'Trans proline' 0 N--CA 1.462 -0.352 0 C-N-CA 122.96 2.44 . . . . 0.0 111.837 178.964 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 32.2 t -67.82 -11.33 58.34 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.055 -0.521 . . . . 0.0 111.511 -175.569 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 2.8 m-20 -90.19 -14.97 32.38 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.696 0.284 . . . . 0.0 111.238 -178.009 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' TYR . . . . . 0.511 ' HB2' ' HG2' ' A' ' 54' ' ' PRO . 39.5 m-85 -109.77 -9.11 14.84 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.593 -0.276 . . . . 0.0 111.372 -177.751 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.751 HG12 HD13 ' A' ' 25' ' ' ILE . 27.8 m -124.48 164.23 23.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-O 120.523 0.201 . . . . 0.0 110.908 -178.607 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.49 ' O ' ' HB ' ' A' ' 9' ' ' VAL . 41.1 mm-40 . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.074 -178.047 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 79.0 t . . . . . 0 C--O 1.234 0.244 0 CA-C-O 121.778 0.799 . . . . 0.0 111.46 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 20.2 m -118.58 -177.67 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.317 -0.84 0 CA-C-N 114.093 -1.412 . . . . 0.0 108.852 178.033 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 12.5 p -140.65 143.27 29.19 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.692 0 C-N-CA 120.804 -0.358 . . . . 0.0 110.129 -179.867 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.472 ' HB2' HD21 ' A' ' 31' ' ' LEU . . . -89.75 146.21 24.65 Favored 'General case' 0 C--N 1.316 -0.865 0 CA-C-O 121.028 0.442 . . . . 0.0 111.944 -176.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.616 ' HB2' ' HG2' ' A' ' 59' ' ' GLU . 51.9 tptt -85.09 -49.1 8.55 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.2 -178.731 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 58.7 m-85 -132.81 167.97 19.22 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.228 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 25.0 m-20 -67.75 128.28 35.89 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.606 -0.724 . . . . 0.0 111.017 178.324 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' TYR . . . . . 0.537 ' HB3' ' CG1' ' A' ' 25' ' ' ILE . 33.2 t80 -131.85 111.11 11.31 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.15 -0.477 . . . . 0.0 109.759 172.184 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 27.0 t -81.65 142.33 13.89 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-N 115.857 -0.61 . . . . 0.0 109.709 178.891 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.537 ' HB1' ' HB2' ' A' ' 22' ' ' GLU . . . -86.1 153.63 21.95 Favored 'General case' 0 N--CA 1.441 -0.911 0 N-CA-C 109.569 -0.53 . . . . 0.0 109.569 -177.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 50.5 tt0 -67.98 -55.28 13.28 Favored 'General case' 0 C--N 1.315 -0.927 0 N-CA-C 109.569 -0.53 . . . . 0.0 109.569 178.409 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 23.4 mm-40 -147.44 -167.91 2.91 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 114.944 -1.026 . . . . 0.0 108.742 173.048 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 4.5 mp0 -70.9 -3.58 19.93 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-O 120.964 0.411 . . . . 0.0 110.792 179.597 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.426 ' HG3' ' OE2' ' A' ' 22' ' ' GLU . 12.7 pt20 -78.34 -17.98 55.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.384 0.612 . . . . 0.0 110.109 175.339 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.537 ' HB2' ' HB1' ' A' ' 17' ' ' ALA . 49.0 mm-40 -110.39 177.34 4.72 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 108.326 -0.99 . . . . 0.0 108.326 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.509 HD23 ' HA ' ' A' ' 50' ' ' THR . 1.1 tm? -105.85 128.03 53.49 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 109.379 -0.6 . . . . 0.0 109.379 177.003 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -96.23 117.71 31.33 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 109.99 -0.374 . . . . 0.0 109.99 179.635 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.752 HD13 HG12 ' A' ' 58' ' ' VAL . 1.0 OUTLIER -118.72 176.5 3.12 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.652 0 CA-C-O 120.882 0.372 . . . . 0.0 110.146 179.423 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.418 ' O ' ' HB3' ' A' ' 11' ' ' ALA . 0.0 OUTLIER -142.58 164.23 30.67 Favored 'General case' 0 C--N 1.316 -0.865 0 N-CA-C 109.396 -0.594 . . . . 0.0 109.396 -178.184 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 37.9 ttpt -63.42 139.34 58.76 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 110.089 -0.337 . . . . 0.0 110.089 177.909 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 3.1 p-10 48.95 28.83 2.12 Favored 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 124.115 0.966 . . . . 0.0 112.047 -177.046 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -89.65 146.29 24.64 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.903 -0.589 . . . . 0.0 109.837 176.478 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.424 ' O ' HD13 ' A' ' 31' ' ' LEU . 2.4 ptm180 -96.49 126.62 41.81 Favored 'General case' 0 C--N 1.319 -0.758 0 N-CA-C 109.687 -0.486 . . . . 0.0 109.687 179.56 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.472 HD21 ' HB2' ' A' ' 11' ' ' ALA . 1.3 mm? -117.78 165.55 13.51 Favored 'General case' 0 C--N 1.318 -0.771 0 N-CA-C 109.853 -0.425 . . . . 0.0 109.853 -178.956 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' TRP . . . . . 0.416 ' HE3' ' O ' ' A' ' 44' ' ' ARG . 12.1 m-90 -102.88 124.06 47.68 Favored 'General case' 0 C--N 1.315 -0.921 0 N-CA-C 109.577 -0.527 . . . . 0.0 109.577 175.668 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.585 ' HA ' HG12 ' A' ' 43' ' ' VAL . 43.9 tp -99.01 117.7 34.12 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 121.161 0.505 . . . . 0.0 111.388 -174.604 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.406 HD22 ' N ' ' A' ' 34' ' ' LEU . 1.9 mm? -106.87 -26.89 11.03 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.671 -0.695 . . . . 0.0 111.098 -178.145 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 35' ' ' ASP . . . . . 0.624 ' HB3' ' HB3' ' A' ' 42' ' ' ARG . 11.0 t70 . . . . . 0 C--N 1.328 -0.345 0 CA-C-O 120.957 0.408 . . . . 0.0 111.633 -175.687 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 8.1 m0 . . . . . 0 C--O 1.234 0.248 0 N-CA-C 109.386 -0.598 . . . . 0.0 109.386 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 51.1 m0 -83.31 139.77 32.86 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-O 121.161 0.505 . . . . 0.0 110.847 -177.444 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.624 ' HB3' ' HB3' ' A' ' 35' ' ' ASP . 42.2 ttp180 -98.04 110.6 23.15 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.992 -0.549 . . . . 0.0 109.955 -179.621 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.585 HG12 ' HA ' ' A' ' 33' ' ' LEU . 11.7 m -127.78 173.4 13.13 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 CA-C-N 115.492 -0.777 . . . . 0.0 112.062 -173.801 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.416 ' O ' ' HE3' ' A' ' 32' ' ' TRP . 15.1 ttm180 -129.29 129.07 44.42 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 114.905 -1.043 . . . . 0.0 109.323 175.519 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 45' ' ' ASN . . . . . 0.42 ' HB2' HD11 ' A' ' 23' ' ' LEU . 55.2 t30 -104.02 179.2 4.34 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 109.046 -0.724 . . . . 0.0 109.046 177.339 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 27.2 p -65.26 -8.13 16.34 Favored 'General case' 0 CA--C 1.533 0.304 0 CA-C-O 121.313 0.578 . . . . 0.0 110.972 179.476 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' MET . . . . . 0.53 ' O ' ' HG2' ' A' ' 49' ' ' LYS . 2.4 tpt -76.86 12.22 1.43 Allowed 'General case' 0 CA--C 1.533 0.314 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.65 178.24 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 9.6 p30 50.66 21.72 0.96 Allowed 'General case' 0 N--CA 1.483 1.198 0 C-N-CA 124.317 1.047 . . . . 0.0 113.285 176.029 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.53 ' HG2' ' O ' ' A' ' 47' ' ' MET . 68.2 mmtt -113.81 169.59 8.88 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.011 178.509 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 50' ' ' THR . . . . . 0.509 ' HA ' HD23 ' A' ' 23' ' ' LEU . 5.0 m -136.57 152.17 50.19 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 109.814 -0.439 . . . . 0.0 109.814 176.001 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 178.7 -171.49 43.69 Favored Glycine 0 N--CA 1.445 -0.733 0 N-CA-C 111.469 -0.653 . . . . 0.0 111.469 -178.25 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 93.5 m-85 -105.39 125.09 50.59 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-O 120.926 0.393 . . . . 0.0 110.705 -179.162 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.469 ' CG1' ' HB3' ' A' ' 23' ' ' LEU . 27.6 m -109.16 147.87 36.83 Favored Pre-proline 0 C--N 1.321 -0.64 0 CA-C-O 121.111 0.481 . . . . 0.0 111.368 -179.468 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 54' ' ' PRO . . . . . 0.486 ' HG2' ' HB2' ' A' ' 57' ' ' TYR . 42.3 Cg_endo -66.08 122.57 10.13 Favored 'Trans proline' 0 C--O 1.237 0.453 0 C-N-CA 123.366 2.711 . . . . 0.0 112.264 179.218 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 10.9 m -64.63 -11.72 38.25 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.73 -0.668 . . . . 0.0 111.809 -177.47 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 69.8 m-20 -87.85 -11.62 47.28 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.524 -0.307 . . . . 0.0 110.85 -179.536 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' TYR . . . . . 0.486 ' HB2' ' HG2' ' A' ' 54' ' ' PRO . 45.5 m-85 -111.55 -16.53 13.26 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.82 0.343 . . . . 0.0 110.999 -179.511 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.752 HG12 HD13 ' A' ' 25' ' ' ILE . 33.3 m -118.31 155.38 20.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.267 -177.152 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.616 ' HG2' ' HB2' ' A' ' 12' ' ' LYS . 15.1 mm-40 . . . . . 0 C--N 1.326 -0.431 0 N-CA-C 109.114 -0.699 . . . . 0.0 109.114 179.221 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 71.7 t . . . . . 0 N--CA 1.446 -0.658 0 CA-C-O 121.396 0.617 . . . . 0.0 110.566 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.485 ' HB ' ' O ' ' A' ' 59' ' ' GLU . 8.2 m -107.84 176.46 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.31 -1.119 0 CA-C-N 114.591 -1.186 . . . . 0.0 109.169 179.146 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 10.7 p -139.4 144.35 29.12 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.059 0 N-CA-C 109.897 -0.408 . . . . 0.0 109.897 -178.887 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.575 ' HB1' HD12 ' A' ' 25' ' ' ILE . . . -83.52 131.96 34.97 Favored 'General case' 0 C--N 1.314 -0.957 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.988 -179.669 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.575 ' HB2' ' HG3' ' A' ' 59' ' ' GLU . 39.0 ttpt -83.88 -38.76 20.72 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 109.759 -0.46 . . . . 0.0 109.759 178.733 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.512 ' CE2' ' HE3' ' A' ' 12' ' ' LYS . 70.6 m-85 -134.96 163.48 29.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.953 176.686 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -65.74 135.89 55.52 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.557 -0.747 . . . . 0.0 111.179 178.169 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' TYR . . . . . 0.631 ' HB3' ' CG1' ' A' ' 25' ' ' ILE . 12.3 t80 -136.78 111.45 8.7 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 121.116 0.484 . . . . 0.0 110.063 171.517 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 47.6 t -86.8 132.23 32.89 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 CA-C-N 115.761 -0.654 . . . . 0.0 109.834 177.412 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.463 ' HB1' ' HB2' ' A' ' 22' ' ' GLU . . . -93.47 159.81 15.08 Favored 'General case' 0 C--N 1.318 -0.763 0 N-CA-C 108.894 -0.78 . . . . 0.0 108.894 -178.982 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 49.3 tt0 -65.62 -45.86 81.47 Favored 'General case' 0 C--N 1.32 -0.68 0 C-N-CA 120.225 -0.59 . . . . 0.0 110.513 -179.377 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 45.1 mt-30 -150.37 -178.69 6.67 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.7 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -66.35 -9.47 33.65 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-N 115.798 -0.637 . . . . 0.0 111.321 179.684 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.518 ' HG3' ' HG2' ' A' ' 22' ' ' GLU . 13.0 pt20 -68.53 -23.47 64.53 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.85 -0.613 . . . . 0.0 110.656 177.705 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.518 ' HG2' ' HG3' ' A' ' 21' ' ' GLN . 73.5 mm-40 -113.48 -177.39 3.12 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.703 -0.68 . . . . 0.0 109.251 179.684 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.78 ' HG ' HG23 ' A' ' 43' ' ' VAL . 0.7 OUTLIER -103.46 127.18 50.89 Favored 'General case' 0 N--CA 1.445 -0.718 0 N-CA-C 109.12 -0.696 . . . . 0.0 109.12 -178.497 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.7 p-10 -100.26 134.37 43.3 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 108.646 -0.872 . . . . 0.0 108.646 176.692 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.801 HD13 HG12 ' A' ' 58' ' ' VAL . 1.3 pt -131.22 150.18 34.14 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.788 0 CA-C-O 121.198 0.523 . . . . 0.0 110.741 -177.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.468 ' HB3' ' HB2' ' A' ' 29' ' ' GLU . 24.1 tptp -114.03 154.14 28.19 Favored 'General case' 0 C--N 1.316 -0.86 0 N-CA-C 108.681 -0.859 . . . . 0.0 108.681 -178.306 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 87.1 tttt -59.01 123.37 16.36 Favored 'General case' 0 N--CA 1.449 -0.523 0 C-N-CA 120.327 -0.549 . . . . 0.0 109.604 176.657 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 65.2 t30 72.8 26.57 2.32 Favored 'General case' 0 N--CA 1.471 0.584 0 O-C-N 124.196 0.935 . . . . 0.0 111.222 -177.919 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.468 ' HB2' ' HB3' ' A' ' 26' ' ' LYS . 6.2 tp10 -93.96 139.59 30.74 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 173.745 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.599 ' O ' HD13 ' A' ' 31' ' ' LEU . 3.7 ptm180 -91.22 135.7 33.6 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 179.759 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.599 HD13 ' O ' ' A' ' 30' ' ' ARG . 1.7 mm? -124.11 163.79 20.76 Favored 'General case' 0 C--N 1.316 -0.874 0 N-CA-C 109.018 -0.734 . . . . 0.0 109.018 178.571 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' TRP . . . . . 0.542 ' HB2' ' HB3' ' A' ' 44' ' ' ARG . 23.4 m-90 -102.43 122.81 45.04 Favored 'General case' 0 C--N 1.311 -1.1 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 175.265 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.578 ' HA ' HG12 ' A' ' 43' ' ' VAL . 33.4 tp -93.41 111.47 23.14 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-O 121.025 0.441 . . . . 0.0 110.81 -176.598 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -98.35 -44.9 6.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.883 -0.599 . . . . 0.0 109.989 -179.866 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' ASP . . . . . 0.576 ' HB3' ' HB3' ' A' ' 42' ' ' ARG . 14.8 t70 . . . . . 0 C--N 1.326 -0.426 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.33 -177.121 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' TRP . . . . . 0.59 ' HA ' ' O ' ' A' ' 53' ' ' VAL . 40.8 m95 . . . . . 0 N--CA 1.463 0.205 0 CA-C-O 121.65 0.738 . . . . 0.0 110.383 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 32.9 m0 -91.82 149.32 21.65 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.357 -0.838 . . . . 0.0 111.117 -171.894 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.576 ' HB3' ' HB3' ' A' ' 35' ' ' ASP . 32.1 ttt180 -92.56 108.7 20.17 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.533 -0.758 . . . . 0.0 109.854 178.697 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.78 HG23 ' HG ' ' A' ' 23' ' ' LEU . 8.3 m -125.45 162.18 28.72 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.885 -174.699 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.542 ' HB3' ' HB2' ' A' ' 32' ' ' TRP . 46.9 ttp180 -111.87 125.25 53.83 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.049 -0.978 . . . . 0.0 109.376 175.969 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' ASN . . . . . 0.592 ' HB2' HD11 ' A' ' 23' ' ' LEU . 28.0 t-20 -85.39 172.95 10.65 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.238 -179.901 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 6.5 m -60.89 -27.51 68.21 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.845 179.449 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 14.5 tpt -81.17 8.15 9.5 Favored 'General case' 0 CA--C 1.534 0.356 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.649 179.004 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 30.6 m-80 69.42 16.3 8.27 Favored 'General case' 0 N--CA 1.471 0.609 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.414 175.409 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.427 ' O ' ' HA ' ' A' ' 44' ' ' ARG . 74.4 mmtt -80.85 167.25 20.13 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.084 -0.507 . . . . 0.0 109.957 176.366 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 50' ' ' THR . . . . . 0.419 ' HA ' HD23 ' A' ' 23' ' ' LEU . 4.0 m -142.9 153.4 43.08 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.624 0.25 . . . . 0.0 110.37 175.547 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 51' ' ' GLY . . . . . 0.428 ' O ' ' HA ' ' A' ' 42' ' ' ARG . . . 169.24 -170.22 42.42 Favored Glycine 0 N--CA 1.448 -0.524 0 N-CA-C 111.097 -0.801 . . . . 0.0 111.097 -178.883 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 56.8 m-85 -104.68 134.1 48.41 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.013 0.435 . . . . 0.0 111.082 -179.363 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.59 ' O ' ' HA ' ' A' ' 40' ' ' TRP . 22.0 m -121.25 146.85 45.6 Favored Pre-proline 0 C--N 1.323 -0.586 0 CA-C-N 115.494 -0.775 . . . . 0.0 111.278 -179.879 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 54' ' ' PRO . . . . . 0.602 ' HG2' ' HB2' ' A' ' 57' ' ' TYR . 37.0 Cg_endo -64.71 126.13 16.15 Favored 'Trans proline' 0 C--N 1.345 0.39 0 C-N-CA 123.138 2.559 . . . . 0.0 112.26 -179.609 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 12.2 m -65.53 -11.19 41.46 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.878 -0.601 . . . . 0.0 112.539 -174.57 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 89.6 m-20 -93.22 -16.81 24.4 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.856 0.36 . . . . 0.0 111.284 -179.422 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' TYR . . . . . 0.602 ' HB2' ' HG2' ' A' ' 54' ' ' PRO . 71.9 m-85 -103.9 -20.67 13.82 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.965 0.412 . . . . 0.0 110.344 -179.214 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.801 HG12 HD13 ' A' ' 25' ' ' ILE . 31.5 m -109.51 156.18 10.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-N 116.002 -0.544 . . . . 0.0 109.836 176.312 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.575 ' HG3' ' HB2' ' A' ' 12' ' ' LYS . 17.3 mm-40 . . . . . 0 C--N 1.322 -0.604 0 CA-C-O 121.113 0.482 . . . . 0.0 111.988 -173.481 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.695 0 N-CA-C 112.09 -0.404 . . . . 0.0 112.09 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 35.2 t -165.75 144.86 6.22 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.753 0.311 . . . . 0.0 110.376 -177.518 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 62.4 mtm -126.49 87.62 2.7 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.175 0.512 . . . . 0.0 110.071 175.772 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -103.42 160.16 14.95 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.763 -0.653 . . . . 0.0 109.588 176.015 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 35.5 mm-40 -87.13 143.81 27.14 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.223 0.535 . . . . 0.0 111.219 -174.346 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.769 ' HG3' ' HE1' ' A' ' 32' ' ' TRP . 4.1 mm-40 -118.61 -170.33 1.88 Allowed 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.258 -0.883 . . . . 0.0 109.747 -176.728 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 4.2 p -76.96 84.02 0.79 Allowed 'Isoleucine or valine' 0 C--O 1.236 0.389 0 CA-C-O 122.369 1.08 . . . . 0.0 109.003 170.811 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.427 HG23 ' HB2' ' A' ' 6' ' ' GLU . 42.5 t -112.32 146.4 17.17 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 114.77 -1.104 . . . . 0.0 112.341 -169.072 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.49 HG11 HD22 ' A' ' 33' ' ' LEU . 15.8 m -119.52 -173.4 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.784 0 CA-C-N 114.778 -1.101 . . . . 0.0 109.304 175.225 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 11.0 p -140.45 144.89 26.7 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.75 0 C-N-CA 120.431 -0.508 . . . . 0.0 110.85 -178.497 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.426 ' HB3' ' O ' ' A' ' 26' ' ' LYS . . . -87.54 146.08 25.94 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-O 121.229 0.538 . . . . 0.0 111.124 179.185 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 12.4 mmmm -94.0 -44.98 7.8 Favored 'General case' 0 C--N 1.316 -0.869 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.232 179.694 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 87.2 m-85 -136.99 157.08 47.55 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.637 -179.028 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -60.81 131.06 49.49 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.133 178.733 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' TYR . . . . . 0.603 ' HB3' HG13 ' A' ' 25' ' ' ILE . 43.8 t80 -134.55 111.39 10.03 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 116.139 -0.482 . . . . 0.0 109.815 173.886 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 41.3 t -80.86 140.0 17.27 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 CA-C-N 115.762 -0.654 . . . . 0.0 109.594 178.551 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.513 ' HB1' ' HB2' ' A' ' 22' ' ' GLU . . . -92.37 153.5 19.14 Favored 'General case' 0 N--CA 1.444 -0.73 0 N-CA-C 109.149 -0.686 . . . . 0.0 109.149 -179.27 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 46.7 tt0 -66.72 -62.83 1.25 Allowed 'General case' 0 C--N 1.315 -0.897 0 N-CA-C 109.773 -0.454 . . . . 0.0 109.773 178.628 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' GLN . . . . . 0.794 ' HB2' ' HG2' ' A' ' 21' ' ' GLN . 78.5 mm-40 -131.24 176.88 7.91 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.543 -0.753 . . . . 0.0 109.135 171.935 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 -66.07 -3.43 5.45 Favored 'General case' 0 N--CA 1.468 0.448 0 CA-C-O 121.143 0.497 . . . . 0.0 111.4 175.852 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.794 ' HG2' ' HB2' ' A' ' 19' ' ' GLN . 14.0 pt20 -70.28 -21.88 62.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.448 0.642 . . . . 0.0 109.474 171.564 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.513 ' HB2' ' HB1' ' A' ' 17' ' ' ALA . 12.3 mm-40 -108.46 -179.24 3.82 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.005 -0.998 . . . . 0.0 108.796 179.457 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.693 ' HG ' HG23 ' A' ' 43' ' ' VAL . 0.8 OUTLIER -108.69 127.88 54.37 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 109.643 -0.503 . . . . 0.0 109.643 178.532 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -99.56 134.16 42.85 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 109.514 -0.551 . . . . 0.0 109.514 176.55 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.674 HD13 HG12 ' A' ' 58' ' ' VAL . 1.1 pp -130.98 152.94 38.41 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-O 121.068 0.461 . . . . 0.0 110.612 -177.293 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.426 ' O ' ' HB3' ' A' ' 11' ' ' ALA . 19.2 tptp -116.56 150.85 37.32 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 109.145 -0.687 . . . . 0.0 109.145 -176.017 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 62.4 tttm -56.24 129.67 41.23 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.758 0.313 . . . . 0.0 111.331 -179.239 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 6.3 m120 65.18 15.7 10.15 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 115.448 -0.797 . . . . 0.0 112.382 177.358 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -93.78 148.43 22.13 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 109.886 -0.413 . . . . 0.0 109.886 -179.073 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.517 ' O ' HD13 ' A' ' 31' ' ' LEU . 17.0 ptt-85 -88.22 132.66 34.27 Favored 'General case' 0 C--N 1.316 -0.87 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.863 -176.698 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.517 HD13 ' O ' ' A' ' 30' ' ' ARG . 1.5 mm? -120.11 165.45 14.72 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 109.904 -0.406 . . . . 0.0 109.904 177.505 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' TRP . . . . . 0.769 ' HE1' ' HG3' ' A' ' 6' ' ' GLU . 16.2 m-90 -102.63 124.47 48.24 Favored 'General case' 0 C--N 1.316 -0.887 0 N-CA-C 109.835 -0.432 . . . . 0.0 109.835 178.451 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.608 ' HA ' HG12 ' A' ' 43' ' ' VAL . 50.1 tp -100.56 127.2 47.01 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.092 0.472 . . . . 0.0 111.797 -172.355 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -108.3 -61.46 1.59 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.67 -0.695 . . . . 0.0 110.369 178.781 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ASP . . . . . 0.629 ' HB2' ' HB3' ' A' ' 42' ' ' ARG . 2.7 m-20 -115.99 122.44 45.24 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.82 -179.127 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ASP . . . . . 0.532 ' HB3' HD21 ' A' ' 33' ' ' LEU . 10.6 p-10 -124.08 28.63 6.71 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.878 -0.601 . . . . 0.0 109.756 178.887 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 20.5 t -98.32 3.94 48.67 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.927 -0.579 . . . . 0.0 112.469 -171.556 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 16.6 ptmt -141.11 -176.07 4.56 Favored 'General case' 0 C--N 1.326 -0.415 0 C-N-CA 120.349 -0.541 . . . . 0.0 111.277 -179.156 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 21.1 m -56.92 -53.91 52.58 Favored 'General case' 0 C--N 1.331 -0.224 0 O-C-N 123.746 0.654 . . . . 0.0 111.807 -176.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' TRP . . . . . 0.612 ' HB3' ' HB3' ' A' ' 52' ' ' PHE . 20.2 m95 -96.62 125.46 41.1 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.15 178.113 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 47.2 m0 -80.31 143.49 33.58 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.314 0.578 . . . . 0.0 111.647 -175.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.629 ' HB3' ' HB2' ' A' ' 35' ' ' ASP . 45.6 ttt180 -95.59 107.86 20.08 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 115.157 -0.928 . . . . 0.0 109.538 179.459 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.693 HG23 ' HG ' ' A' ' 23' ' ' LEU . 6.4 m -131.43 165.42 31.68 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 CA-C-O 121.435 0.636 . . . . 0.0 112.182 -174.912 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.571 ' HG3' ' O ' ' A' ' 49' ' ' LYS . 28.3 ttm180 -124.71 137.12 54.36 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 114.596 -1.183 . . . . 0.0 108.812 172.898 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 30.3 p30 -100.89 -174.11 2.54 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-O 120.971 0.415 . . . . 0.0 111.61 -178.809 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 6.8 m -67.23 -17.11 64.67 Favored 'General case' 0 CA--C 1.531 0.216 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.896 177.712 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 14.5 tpt -82.95 11.62 5.93 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.939 -0.573 . . . . 0.0 109.82 179.706 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 6.5 p30 48.71 28.77 1.95 Allowed 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 124.469 1.108 . . . . 0.0 112.594 178.105 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.571 ' O ' ' HG3' ' A' ' 44' ' ' ARG . 69.0 mmtt -107.28 166.5 10.59 Favored 'General case' 0 N--CA 1.448 -0.552 0 N-CA-C 109.264 -0.643 . . . . 0.0 109.264 173.755 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' THR . . . . . 0.483 ' HA ' HD23 ' A' ' 23' ' ' LEU . 3.7 m -137.68 152.6 49.46 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 120.92 0.39 . . . . 0.0 110.731 -176.572 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 174.34 -163.75 34.57 Favored Glycine 0 N--CA 1.444 -0.792 0 CA-C-N 115.75 -0.659 . . . . 0.0 111.527 -178.488 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.612 ' HB3' ' HB3' ' A' ' 40' ' ' TRP . 11.9 m-30 -105.9 143.44 34.03 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 120.806 0.336 . . . . 0.0 110.321 -179.727 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.51 HG13 ' HB3' ' A' ' 23' ' ' LEU . 16.1 m -128.13 150.52 74.1 Favored Pre-proline 0 C--N 1.322 -0.602 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.671 178.958 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.468 ' O ' HG22 ' A' ' 58' ' ' VAL . 64.4 Cg_endo -73.51 130.3 14.76 Favored 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 123.46 2.773 . . . . 0.0 112.529 179.024 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 11.9 p -67.35 -11.84 58.67 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.905 -0.589 . . . . 0.0 112.186 -176.947 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 85.7 m-20 -80.36 -20.03 45.07 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.761 0.315 . . . . 0.0 111.024 178.283 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 92.0 m-85 -109.4 -17.04 13.88 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.147 -178.388 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.674 HG12 HD13 ' A' ' 25' ' ' ILE . 20.5 m -128.41 148.11 32.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-O 120.513 0.197 . . . . 0.0 111.028 -178.794 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 57.8 mt-10 -148.16 166.97 26.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.043 178.755 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' ARG . . . . . 0.446 ' HA ' HG12 ' A' ' 9' ' ' VAL . 68.9 mtt180 -73.62 153.37 40.2 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 175.313 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 22.6 pttp -68.54 143.61 54.86 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.359 177.186 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 11.3 t30 -90.06 -16.2 30.2 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 121.423 0.63 . . . . 0.0 109.561 178.709 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 28.8 p . . . . . 0 C--O 1.25 1.091 0 CA-C-N 115.366 -0.834 . . . . 0.0 110.213 177.475 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.697 0 N-CA-C 112.085 -0.406 . . . . 0.0 112.085 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 53.4 m -67.86 108.74 3.12 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.969 0.414 . . . . 0.0 110.437 177.134 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 26.5 mmt -113.49 124.67 52.94 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.223 -179.272 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -89.3 162.12 16.01 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.093 177.127 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 7.2 mp0 -81.63 91.22 6.38 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 121.231 0.539 . . . . 0.0 110.113 -179.589 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -70.01 146.37 51.1 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.512 -0.767 . . . . 0.0 110.435 179.003 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 12.0 m -73.35 118.9 19.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-O 121.376 0.608 . . . . 0.0 110.992 179.82 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 37.8 t -95.81 137.84 22.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-N 115.604 -0.725 . . . . 0.0 111.289 -178.099 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.58 HG11 HD22 ' A' ' 33' ' ' LEU . 19.0 m -105.02 175.88 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 CA-C-N 115.091 -0.959 . . . . 0.0 109.317 176.829 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 12.3 p -135.47 154.71 35.63 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.928 0 N-CA-C 109.641 -0.503 . . . . 0.0 109.641 -178.915 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.409 ' HA ' ' HA ' ' A' ' 58' ' ' VAL . . . -100.36 146.79 26.55 Favored 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 112.184 0.438 . . . . 0.0 112.184 -177.107 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.654 ' HG2' ' HG2' ' A' ' 59' ' ' GLU . 62.8 mmtt -79.67 -55.71 4.82 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.911 176.192 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 83.8 m-85 -136.85 161.76 35.09 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.411 -0.359 . . . . 0.0 111.473 -175.091 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -50.75 129.53 23.11 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-N 115.398 -0.819 . . . . 0.0 112.569 176.739 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' TYR . . . . . 0.58 ' HB3' HG13 ' A' ' 25' ' ' ILE . 7.0 t80 -136.49 109.54 7.71 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 109.295 -0.631 . . . . 0.0 109.295 167.457 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.402 ' HA ' ' OD1' ' A' ' 24' ' ' ASP . 65.9 t -93.38 129.96 43.08 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.652 0 CA-C-N 115.777 -0.647 . . . . 0.0 109.923 -179.347 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -89.13 125.97 35.26 Favored 'General case' 0 C--N 1.316 -0.869 0 N-CA-C 109.407 -0.59 . . . . 0.0 109.407 179.786 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 2.5 tt0 -64.7 -26.85 68.55 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.226 0.536 . . . . 0.0 110.519 -178.327 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 25.7 mm-40 -134.42 143.93 47.87 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.796 -0.638 . . . . 0.0 109.482 175.784 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.434 ' OE2' ' HE3' ' A' ' 49' ' ' LYS . 47.7 mt-10 -70.53 -1.84 12.21 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 111.893 0.331 . . . . 0.0 111.893 -179.524 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 7.4 pt20 -62.92 -27.48 69.4 Favored 'General case' 0 CA--C 1.532 0.275 0 N-CA-C 109.15 -0.685 . . . . 0.0 109.15 172.639 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.403 ' HA ' ' HA3' ' A' ' 51' ' ' GLY . 73.3 mm-40 -101.47 -176.89 3.27 Favored 'General case' 0 N--CA 1.453 -0.279 0 CA-C-N 115.161 -0.927 . . . . 0.0 109.513 178.192 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.888 ' HG ' HG23 ' A' ' 43' ' ' VAL . 0.7 OUTLIER -103.15 128.34 50.12 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-O 121.286 0.565 . . . . 0.0 110.096 -176.959 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.402 ' OD1' ' HA ' ' A' ' 16' ' ' VAL . 16.0 t70 -96.89 127.1 42.53 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.57 -0.741 . . . . 0.0 110.266 179.545 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.706 HD13 HG12 ' A' ' 58' ' ' VAL . 1.0 OUTLIER -132.3 160.32 42.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 121.174 0.512 . . . . 0.0 111.315 -175.805 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.527 ' HB3' ' HB2' ' A' ' 29' ' ' GLU . 2.8 tppp? -128.54 160.29 32.81 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 109.444 -0.576 . . . . 0.0 109.444 -176.271 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.431 ' HG3' ' O ' ' A' ' 12' ' ' LYS . 83.8 tttt -55.8 124.81 18.76 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-N 117.819 0.281 . . . . 0.0 110.548 176.052 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 6.4 t30 66.43 22.51 10.71 Favored 'General case' 0 N--CA 1.466 0.367 0 CA-C-N 115.543 -0.753 . . . . 0.0 110.977 177.533 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.527 ' HB2' ' HB3' ' A' ' 26' ' ' LYS . 10.1 tp10 -88.96 144.9 25.85 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 109.821 -0.437 . . . . 0.0 109.821 177.43 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.611 ' O ' HD13 ' A' ' 31' ' ' LEU . 5.2 ptp85 -92.97 132.35 37.15 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 116.451 -0.34 . . . . 0.0 110.27 -177.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.611 HD13 ' O ' ' A' ' 30' ' ' ARG . 1.8 mm? -124.83 165.51 17.89 Favored 'General case' 0 C--N 1.322 -0.629 0 C-N-CA 120.755 -0.378 . . . . 0.0 110.205 178.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 19.6 m-90 -102.61 122.88 45.28 Favored 'General case' 0 C--N 1.319 -0.76 0 N-CA-C 109.758 -0.46 . . . . 0.0 109.758 176.766 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.601 HD21 ' HB3' ' A' ' 36' ' ' ASP . 35.7 tp -102.1 128.12 48.71 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.042 0.449 . . . . 0.0 111.644 -172.617 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.411 HD22 ' N ' ' A' ' 34' ' ' LEU . 1.9 mm? -109.9 -48.57 3.19 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.198 179.609 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' ASP . . . . . 0.595 ' HB2' ' HB3' ' A' ' 42' ' ' ARG . 7.3 m-20 -129.23 120.43 25.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.664 -177.888 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' ASP . . . . . 0.601 ' HB3' HD21 ' A' ' 33' ' ' LEU . 4.8 p-10 -134.34 31.76 3.44 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.012 0.434 . . . . 0.0 111.144 178.41 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 53.4 p -73.99 -24.14 59.56 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 112.183 0.438 . . . . 0.0 112.183 -176.163 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 87.2 tttt -159.96 126.8 4.43 Favored 'General case' 0 CA--C 1.53 0.179 0 N-CA-C 112.393 0.516 . . . . 0.0 112.393 -175.208 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 30.8 p 42.18 -93.17 0.02 OUTLIER 'General case' 0 N--CA 1.476 0.858 0 N-CA-C 114.425 1.269 . . . . 0.0 114.425 169.175 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 71.5 m95 -76.79 104.04 7.07 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.112 0.482 . . . . 0.0 110.39 -176.148 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' TRP . . . . . 0.528 ' CD1' ' HA ' ' A' ' 36' ' ' ASP . 50.6 m0 -80.72 142.37 33.92 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.457 -0.792 . . . . 0.0 111.499 -175.047 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.595 ' HB3' ' HB2' ' A' ' 35' ' ' ASP . 42.2 ttt180 -95.26 111.38 23.25 Favored 'General case' 0 C--N 1.317 -0.832 0 CA-C-N 114.952 -1.022 . . . . 0.0 109.675 -176.454 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.888 HG23 ' HG ' ' A' ' 23' ' ' LEU . 3.9 m -132.73 168.17 24.85 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-O 121.4 0.619 . . . . 0.0 112.502 -173.351 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 39.5 ttm180 -130.29 135.31 47.96 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 114.545 -1.207 . . . . 0.0 108.666 174.458 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' ASN . . . . . 0.543 ' HB3' HD11 ' A' ' 23' ' ' LEU . 33.1 p30 -98.3 179.26 4.79 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 121.037 0.446 . . . . 0.0 111.54 -178.785 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 18.4 m -69.76 -8.61 49.55 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.671 -0.695 . . . . 0.0 111.428 -178.204 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' MET . . . . . 0.544 ' HA ' ' CE ' ' A' ' 47' ' ' MET . 2.7 tpt -91.23 4.69 51.64 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.069 0.461 . . . . 0.0 109.88 177.292 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 32.9 m-80 72.02 8.39 5.95 Favored 'General case' 0 N--CA 1.468 0.426 0 CA-C-N 115.325 -0.852 . . . . 0.0 111.476 173.094 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.434 ' HE3' ' OE2' ' A' ' 20' ' ' GLU . 74.6 mmtt -83.98 160.08 21.11 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 108.593 -0.892 . . . . 0.0 108.593 174.952 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' THR . . . . . 0.511 ' HA ' HD23 ' A' ' 23' ' ' LEU . 3.4 m -135.65 152.46 51.23 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 110.041 -0.355 . . . . 0.0 110.041 -179.295 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' GLY . . . . . 0.403 ' HA3' ' HA ' ' A' ' 22' ' ' GLU . . . 171.38 -165.48 38.49 Favored Glycine 0 N--CA 1.451 -0.309 0 N-CA-C 111.528 -0.629 . . . . 0.0 111.528 -178.501 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 99.8 m-85 -107.82 152.3 24.57 Favored 'General case' 0 N--CA 1.452 -0.356 0 CA-C-O 121.122 0.487 . . . . 0.0 110.578 -179.8 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.461 HG13 ' HB3' ' A' ' 23' ' ' LEU . 23.6 m -133.65 150.72 75.6 Favored Pre-proline 0 C--N 1.322 -0.609 0 CA-C-N 115.719 -0.673 . . . . 0.0 111.399 179.301 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 58.6 Cg_endo -71.32 123.86 9.92 Favored 'Trans proline' 0 N--CA 1.464 -0.26 0 C-N-CA 123.165 2.576 . . . . 0.0 111.856 176.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 9.3 p -60.94 -22.5 64.46 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.141 0.496 . . . . 0.0 111.464 -178.816 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 14.3 m120 -69.28 -22.14 63.84 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.511 -179.216 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 83.7 m-85 -113.26 -2.1 14.14 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 111.804 0.298 . . . . 0.0 111.804 -175.535 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.706 HG12 HD13 ' A' ' 25' ' ' ILE . 27.4 m -128.8 171.18 17.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-O 120.622 0.249 . . . . 0.0 111.21 -177.507 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.654 ' HG2' ' HG2' ' A' ' 12' ' ' LYS . 13.4 mm-40 -133.64 167.49 20.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.616 -179.892 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' ARG . . . . . 0.527 ' HG3' ' CZ3' ' A' ' 41' ' ' TRP . 45.5 mtm180 -110.03 -167.07 1.15 Allowed 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 112.961 0.726 . . . . 0.0 112.961 -176.704 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.508 ' HE2' HD23 ' A' ' 33' ' ' LEU . 0.8 OUTLIER -75.2 103.44 5.37 Favored 'General case' 0 N--CA 1.45 -0.43 0 CA-C-N 114.351 -1.295 . . . . 0.0 111.069 -177.02 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 3.9 p-10 -168.17 156.74 8.92 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.912 -0.585 . . . . 0.0 109.976 177.261 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 66.2 m . . . . . 0 C--O 1.251 1.146 0 CA-C-O 118.286 -0.864 . . . . 0.0 110.336 178.727 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.733 0 N-CA-C 111.687 -0.565 . . . . 0.0 111.687 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 33.5 t -91.13 123.34 34.51 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 120.839 0.352 . . . . 0.0 110.19 -179.86 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 26.5 ttt -143.55 116.95 9.07 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.341 177.17 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -78.62 178.2 8.01 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 116.085 -0.507 . . . . 0.0 109.969 175.39 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -79.82 74.88 6.53 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 121.535 0.683 . . . . 0.0 109.83 178.695 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 36.3 mt-10 -75.84 126.01 30.17 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 114.99 -1.005 . . . . 0.0 110.346 -178.013 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 18.8 m -77.54 154.69 5.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-O 121.331 0.586 . . . . 0.0 111.376 -177.201 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.523 ' CG1' ' HB2' ' A' ' 30' ' ' ARG . 48.7 t -107.59 136.5 42.65 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 CA-C-N 115.741 -0.663 . . . . 0.0 112.092 -172.927 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 12.7 m -107.94 -177.17 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.676 0 CA-C-N 114.707 -1.133 . . . . 0.0 108.866 174.435 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 13.7 p -140.9 147.84 22.29 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.662 0 O-C-N 121.954 -0.466 . . . . 0.0 110.608 -177.798 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.413 ' HB3' ' O ' ' A' ' 26' ' ' LYS . . . -89.36 145.92 25.03 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 120.887 0.375 . . . . 0.0 111.641 -178.025 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.693 ' HB2' ' HG3' ' A' ' 59' ' ' GLU . 16.7 tptm -90.03 -45.58 9.07 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.367 -178.757 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 79.3 m-85 -134.71 160.88 36.76 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.66 178.083 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 31.8 m-20 -63.09 131.3 48.09 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.733 -0.667 . . . . 0.0 111.699 179.66 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' TYR . . . . . 0.529 ' HB3' ' CG1' ' A' ' 25' ' ' ILE . 35.6 t80 -136.23 110.34 8.32 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.02 0.438 . . . . 0.0 110.107 170.835 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 39.9 t -96.17 127.96 47.8 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.772 0 N-CA-C 109.529 -0.545 . . . . 0.0 109.529 177.913 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.589 ' HB1' ' HG3' ' A' ' 22' ' ' GLU . . . -81.61 169.5 16.97 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 109.306 -0.627 . . . . 0.0 109.306 -177.639 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 10.1 mt-30 -90.24 -33.59 16.1 Favored 'General case' 0 C--N 1.316 -0.866 0 CA-C-O 121.161 0.505 . . . . 0.0 110.544 -177.389 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' GLN . . . . . 0.648 ' HB3' ' HG2' ' A' ' 21' ' ' GLN . 6.0 tp60 -140.13 158.92 43.28 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.434 -0.803 . . . . 0.0 109.274 -178.711 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -72.48 -3.61 25.43 Favored 'General case' 0 CA--C 1.535 0.394 0 C-N-CA 120.599 -0.44 . . . . 0.0 111.383 -179.061 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.648 ' HG2' ' HB3' ' A' ' 19' ' ' GLN . 13.3 pt20 -66.75 -25.69 66.62 Favored 'General case' 0 N--CA 1.463 0.187 0 CA-C-O 121.285 0.564 . . . . 0.0 109.835 174.751 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.589 ' HG3' ' HB1' ' A' ' 17' ' ' ALA . 1.2 pt-20 -108.64 179.61 4.14 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.041 -0.981 . . . . 0.0 108.956 176.419 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.543 HD11 ' HB2' ' A' ' 45' ' ' ASN . 0.6 OUTLIER -104.92 128.75 53.29 Favored 'General case' 0 C--N 1.322 -0.623 0 C-N-CA 120.339 -0.544 . . . . 0.0 109.924 -173.944 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.3 p-10 -100.37 134.09 43.83 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 109.522 -0.547 . . . . 0.0 109.522 175.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.721 HD13 HG12 ' A' ' 58' ' ' VAL . 1.0 OUTLIER -129.16 163.11 35.13 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.742 0 CA-C-O 120.954 0.406 . . . . 0.0 110.561 -175.978 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.595 ' HB3' ' HB2' ' A' ' 29' ' ' GLU . 33.8 tptt -125.84 153.68 43.76 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 108.883 -0.784 . . . . 0.0 108.883 -178.179 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.403 ' HG3' ' O ' ' A' ' 12' ' ' LYS . 79.0 tttt -59.27 129.49 42.32 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.592 0.234 . . . . 0.0 110.554 178.796 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 7.4 t30 67.71 14.45 9.5 Favored 'General case' 0 N--CA 1.467 0.408 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.984 177.548 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.595 ' HB2' ' HB3' ' A' ' 26' ' ' LYS . 9.2 tp10 -91.55 151.61 20.66 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 109.562 -0.532 . . . . 0.0 109.562 -179.789 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.62 ' O ' HD13 ' A' ' 31' ' ' LEU . 4.4 ptp180 -87.94 141.24 28.74 Favored 'General case' 0 C--N 1.314 -0.939 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.355 -177.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.62 HD13 ' O ' ' A' ' 30' ' ' ARG . 2.5 mm? -128.82 166.12 19.66 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 109.037 -0.727 . . . . 0.0 109.037 173.613 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' TRP . . . . . 0.416 ' HE3' ' O ' ' A' ' 44' ' ' ARG . 19.2 m-90 -104.52 115.92 31.19 Favored 'General case' 0 C--N 1.315 -0.932 0 N-CA-C 109.394 -0.595 . . . . 0.0 109.394 174.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.547 ' HA ' HG12 ' A' ' 43' ' ' VAL . 36.0 tp -92.55 115.81 28.44 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 120.963 0.411 . . . . 0.0 110.788 -175.219 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.418 ' HB2' ' HD2' ' A' ' 42' ' ' ARG . 1.6 mm? -93.0 -55.1 3.47 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.628 -0.715 . . . . 0.0 110.044 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -147.61 120.05 8.47 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.149 -179.177 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 12.2 p-10 -99.98 59.61 1.05 Allowed 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 122.069 0.938 . . . . 0.0 109.08 174.884 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 35.9 t -56.79 -38.91 73.19 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 114.473 -1.239 . . . . 0.0 112.221 -175.291 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.655 ' HG2' ' H ' ' A' ' 39' ' ' SER . 31.0 ttpt -147.99 -154.87 0.58 Allowed 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 108.961 -0.755 . . . . 0.0 108.961 -176.528 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.655 ' H ' ' HG2' ' A' ' 38' ' ' LYS . 25.4 m -66.09 -15.76 63.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.369 0.604 . . . . 0.0 110.24 174.737 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' TRP . . . . . 0.467 ' HB3' ' HB3' ' A' ' 52' ' ' PHE . 26.7 m0 -92.24 110.85 22.25 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.36 -0.836 . . . . 0.0 109.028 172.952 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' TRP . . . . . 0.497 ' CH2' ' HG3' ' A' ' 60' ' ' ARG . 35.0 m0 -95.63 124.96 39.9 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 120.636 0.255 . . . . 0.0 110.521 -179.334 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.418 ' HD2' ' HB2' ' A' ' 34' ' ' LEU . 16.6 ttm180 -83.08 106.91 15.27 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 109.563 -0.532 . . . . 0.0 109.563 176.794 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.547 HG12 ' HA ' ' A' ' 33' ' ' LEU . 4.4 m -128.28 160.95 37.72 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.82 0 CA-C-N 115.821 -0.627 . . . . 0.0 111.438 -177.773 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.442 ' HG3' ' O ' ' A' ' 49' ' ' LYS . 44.4 ttm180 -125.12 131.2 53.31 Favored 'General case' 0 C--N 1.316 -0.891 0 CA-C-N 115.069 -0.969 . . . . 0.0 109.349 176.756 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' ASN . . . . . 0.543 ' HB2' HD11 ' A' ' 23' ' ' LEU . 19.1 t-20 -95.62 179.92 4.96 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 108.406 -0.961 . . . . 0.0 108.406 176.709 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 9.8 p -70.49 -7.62 44.93 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.069 0.461 . . . . 0.0 111.373 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' MET . . . . . 0.44 ' C ' ' H ' ' A' ' 49' ' ' LYS . 45.8 tpp -78.51 6.58 8.29 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.759 178.653 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 14.2 m120 74.99 -20.72 0.32 Allowed 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 123.686 0.795 . . . . 0.0 111.279 177.382 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.442 ' O ' ' HG3' ' A' ' 44' ' ' ARG . 27.7 mmmt -72.99 162.34 29.62 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.991 -177.474 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' THR . . . . . 0.522 ' HA ' HD23 ' A' ' 23' ' ' LEU . 4.3 m -142.47 155.02 45.03 Favored 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 109.208 -0.664 . . . . 0.0 109.208 -178.329 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' GLY . . . . . 0.414 ' O ' ' HA ' ' A' ' 42' ' ' ARG . . . 179.32 -165.87 34.93 Favored Glycine 0 N--CA 1.443 -0.853 0 C-N-CA 120.77 -0.729 . . . . 0.0 111.729 179.872 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.467 ' HB3' ' HB3' ' A' ' 40' ' ' TRP . 97.3 m-85 -109.3 127.66 54.47 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 120.81 0.338 . . . . 0.0 110.201 179.894 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.443 HG13 ' HB3' ' A' ' 23' ' ' LEU . 30.1 m -113.48 155.43 44.77 Favored Pre-proline 0 C--N 1.319 -0.726 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.96 178.92 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.501 ' O ' HG22 ' A' ' 58' ' ' VAL . 49.3 Cg_endo -69.16 127.82 15.64 Favored 'Trans proline' 0 C--O 1.233 0.245 0 C-N-CA 123.21 2.606 . . . . 0.0 112.76 178.715 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 45.2 t -67.33 -11.62 58.09 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.316 -179.852 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 11.2 t30 -80.08 -23.93 40.95 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.807 0.337 . . . . 0.0 111.1 178.574 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' TYR . . . . . 0.435 ' HB2' ' HG2' ' A' ' 54' ' ' PRO . 87.6 m-85 -107.33 -22.18 12.68 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 111.689 0.255 . . . . 0.0 111.689 -175.799 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.721 HG12 HD13 ' A' ' 25' ' ' ILE . 34.3 m -111.53 153.09 13.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 N-CA-C 110.309 -0.256 . . . . 0.0 110.309 177.565 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.693 ' HG3' ' HB2' ' A' ' 12' ' ' LYS . 27.7 mt-10 -136.24 166.21 23.94 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.308 0.575 . . . . 0.0 111.169 -179.048 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' ARG . . . . . 0.497 ' HG3' ' CH2' ' A' ' 41' ' ' TRP . 65.2 mtt85 -79.48 165.92 22.52 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.799 -0.637 . . . . 0.0 109.553 172.727 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 22.2 pttm -69.78 125.68 27.46 Favored 'General case' 0 C--N 1.324 -0.537 0 C-N-CA 120.734 -0.387 . . . . 0.0 110.501 -177.943 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 83.2 m-20 74.17 143.39 0.07 Allowed 'General case' 0 N--CA 1.465 0.315 0 CA-C-N 115.213 -0.903 . . . . 0.0 110.791 -176.848 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 19.6 m . . . . . 0 C--O 1.248 1.017 0 CA-C-O 118.539 -0.743 . . . . 0.0 109.99 178.278 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.769 0 N-CA-C 111.904 -0.478 . . . . 0.0 111.904 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 49.6 m -143.53 141.63 30.8 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 109.888 -0.412 . . . . 0.0 109.888 175.381 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 64.7 mtt -89.14 97.75 11.38 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 120.885 0.374 . . . . 0.0 110.478 -177.478 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -149.21 176.43 10.52 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.256 -179.826 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 30.7 tt0 -73.52 121.31 20.39 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.874 0.369 . . . . 0.0 110.541 -179.052 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -115.15 163.07 16.17 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.14 -0.482 . . . . 0.0 109.877 178.65 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 59.2 t -66.83 110.27 1.49 Allowed 'Isoleucine or valine' 0 C--O 1.237 0.403 0 CA-C-O 121.038 0.447 . . . . 0.0 111.199 -176.088 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.418 ' O ' ' HE3' ' A' ' 61' ' ' LYS . 64.2 t -110.91 139.29 35.4 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.436 0 CA-C-O 121.459 0.647 . . . . 0.0 111.639 -178.476 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.557 HG11 HD22 ' A' ' 33' ' ' LEU . 12.7 m -118.0 -171.22 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.803 0 CA-C-N 114.709 -1.132 . . . . 0.0 109.227 178.211 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 13.2 p -141.26 148.54 21.21 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.687 0 O-C-N 121.928 -0.482 . . . . 0.0 110.513 179.412 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.503 ' HB1' HD12 ' A' ' 25' ' ' ILE . . . -88.03 145.36 26.02 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.88 0.371 . . . . 0.0 111.586 -179.285 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.66 ' HB2' ' HG2' ' A' ' 59' ' ' GLU . 16.9 tptm -90.19 -47.38 7.83 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.085 -178.694 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 82.7 m-85 -138.85 157.87 45.25 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.625 178.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 0.521 ' OD2' ' HD2' ' A' ' 26' ' ' LYS . 1.9 m-20 -51.31 129.96 25.89 Favored 'General case' 0 N--CA 1.465 0.314 0 N-CA-C 112.655 0.613 . . . . 0.0 112.655 176.541 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' TYR . . . . . 0.641 ' HB3' ' CG1' ' A' ' 25' ' ' ILE . 55.3 t80 -135.73 115.11 12.58 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.905 -0.588 . . . . 0.0 109.486 169.218 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 47.1 t -93.92 126.19 46.39 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.749 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.844 -176.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.644 ' HB1' ' HB2' ' A' ' 22' ' ' GLU . . . -84.23 150.93 25.13 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 108.512 -0.922 . . . . 0.0 108.512 174.137 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -90.04 -31.11 17.32 Favored 'General case' 0 C--N 1.319 -0.718 0 C-N-CA 120.525 -0.47 . . . . 0.0 110.433 -178.563 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' GLN . . . . . 0.478 ' HB2' ' HG2' ' A' ' 21' ' ' GLN . 16.9 mp0 -135.37 165.12 26.19 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.437 177.376 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.425 ' HB3' ' HD2' ' A' ' 49' ' ' LYS . 59.3 mt-10 -71.89 -3.25 21.35 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.514 178.735 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.478 ' HG2' ' HB2' ' A' ' 19' ' ' GLN . 11.2 pt20 -77.79 -11.7 59.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.788 0.804 . . . . 0.0 109.316 174.68 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.644 ' HB2' ' HB1' ' A' ' 17' ' ' ALA . 26.9 mt-10 -115.47 175.93 5.3 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 114.671 -1.15 . . . . 0.0 108.502 -179.436 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.966 ' HG ' HG23 ' A' ' 43' ' ' VAL . 0.6 OUTLIER -105.48 128.15 53.39 Favored 'General case' 0 C--N 1.319 -0.726 0 C-N-CA 120.25 -0.58 . . . . 0.0 109.897 -178.151 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -98.92 128.71 45.16 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 109.572 -0.529 . . . . 0.0 109.572 178.551 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.807 HD13 HG12 ' A' ' 58' ' ' VAL . 1.0 OUTLIER -131.57 151.09 34.88 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-O 121.523 0.678 . . . . 0.0 111.266 -178.411 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.58 ' HB3' ' HB2' ' A' ' 29' ' ' GLU . 49.4 tptt -117.02 149.84 39.61 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 115.311 -0.859 . . . . 0.0 108.718 -179.275 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 86.8 tttt -55.48 125.43 20.93 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 110.011 -0.366 . . . . 0.0 110.011 175.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 10.0 t30 75.19 12.9 3.27 Favored 'General case' 0 N--CA 1.473 0.691 0 O-C-N 124.03 0.831 . . . . 0.0 111.482 178.438 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.58 ' HB2' ' HB3' ' A' ' 26' ' ' LYS . 12.4 tp10 -89.68 144.12 26.25 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 109.568 -0.53 . . . . 0.0 109.568 -179.36 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.86 HH11 ' HG2' ' A' ' 30' ' ' ARG . 0.0 OUTLIER -87.59 138.87 31.09 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 109.509 -0.552 . . . . 0.0 109.509 179.72 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.478 HD13 ' O ' ' A' ' 30' ' ' ARG . 2.3 mm? -122.5 166.95 13.96 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 109.079 -0.711 . . . . 0.0 109.079 175.326 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' TRP . . . . . 0.455 ' HB2' ' HB3' ' A' ' 44' ' ' ARG . 11.7 m-90 -102.65 126.06 49.61 Favored 'General case' 0 C--N 1.316 -0.881 0 N-CA-C 109.127 -0.694 . . . . 0.0 109.127 175.352 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.583 HD21 ' HB3' ' A' ' 36' ' ' ASP . 46.7 tp -100.51 125.67 46.87 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-O 120.933 0.397 . . . . 0.0 112.037 -171.826 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -106.7 -36.01 6.84 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.728 178.8 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -152.36 135.91 16.07 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.622 0.249 . . . . 0.0 110.843 176.606 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' ASP . . . . . 0.583 ' HB3' HD21 ' A' ' 33' ' ' LEU . 8.9 p-10 -133.87 16.23 3.9 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.781 -179.492 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 79.3 p -82.73 -8.4 59.59 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.956 0.408 . . . . 0.0 111.111 -177.702 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.514 ' HG3' ' H ' ' A' ' 39' ' ' SER . 46.4 tptt -103.64 179.2 4.34 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 109.804 -0.443 . . . . 0.0 109.804 -178.915 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.514 ' H ' ' HG3' ' A' ' 38' ' ' LYS . 22.9 t -82.38 -24.97 34.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.653 0.739 . . . . 0.0 109.418 173.856 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -111.22 106.92 16.07 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 108.455 -0.943 . . . . 0.0 108.455 176.102 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' TRP . . . . . 0.51 ' O ' ' HA ' ' A' ' 52' ' ' PHE . 52.4 m0 -82.97 141.74 31.9 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 112.077 0.399 . . . . 0.0 112.077 -170.863 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 37.0 ttm-85 -91.16 115.69 28.22 Favored 'General case' 0 C--O 1.238 0.477 0 CA-C-N 116.226 -0.443 . . . . 0.0 109.9 174.622 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.966 HG23 ' HG ' ' A' ' 23' ' ' LEU . 5.7 m -133.26 166.76 28.31 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.745 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.392 -179.301 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.455 ' HB3' ' HB2' ' A' ' 32' ' ' TRP . 59.4 ttp180 -124.78 125.76 44.54 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.132 -0.94 . . . . 0.0 109.246 176.806 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' ASN . . . . . 0.482 ' H ' HD21 ' A' ' 23' ' ' LEU . 53.6 t30 -84.6 170.87 12.94 Favored 'General case' 0 C--N 1.318 -0.779 0 N-CA-C 110.102 -0.333 . . . . 0.0 110.102 -179.181 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 20.2 t -67.18 -20.39 65.72 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.106 0.479 . . . . 0.0 110.29 -178.537 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' MET . . . . . 0.481 ' HA ' ' CE ' ' A' ' 47' ' ' MET . 3.0 tpt -80.29 6.7 11.27 Favored 'General case' 0 CA--C 1.532 0.255 0 CA-C-O 121.113 0.482 . . . . 0.0 110.084 177.394 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 29.9 m-80 69.59 12.47 8.15 Favored 'General case' 0 N--CA 1.468 0.469 0 CA-C-N 115.645 -0.707 . . . . 0.0 111.628 174.277 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.425 ' HD2' ' HB3' ' A' ' 20' ' ' GLU . 71.7 mmtt -82.38 156.03 24.4 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 108.774 -0.825 . . . . 0.0 108.774 175.087 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' THR . . . . . 0.42 ' HA ' HD23 ' A' ' 23' ' ' LEU . 1.9 m -131.44 152.19 50.89 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 120.866 0.365 . . . . 0.0 110.745 179.124 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 172.39 -161.01 32.54 Favored Glycine 0 N--CA 1.446 -0.674 0 N-CA-C 111.33 -0.708 . . . . 0.0 111.33 -179.715 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.51 ' HA ' ' O ' ' A' ' 41' ' ' TRP . 93.8 m-85 -118.63 147.84 43.33 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 109.733 -0.469 . . . . 0.0 109.733 179.757 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.582 HG23 HG21 ' A' ' 58' ' ' VAL . 13.9 m -130.55 150.72 77.11 Favored Pre-proline 0 C--N 1.321 -0.666 0 CA-C-N 116.129 -0.487 . . . . 0.0 112.221 -176.772 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.585 ' HG2' ' HB2' ' A' ' 57' ' ' TYR . 30.3 Cg_endo -63.97 122.23 10.19 Favored 'Trans proline' 0 C--N 1.345 0.371 0 C-N-CA 123.515 2.81 . . . . 0.0 112.468 177.788 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 46.7 t -63.77 -12.86 39.01 Favored 'General case' 0 CA--C 1.534 0.36 0 CA-C-N 116.113 -0.494 . . . . 0.0 112.262 -175.69 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 5.0 m-20 -88.72 -21.97 23.59 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 122.22 -0.3 . . . . 0.0 111.522 179.022 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' TYR . . . . . 0.585 ' HB2' ' HG2' ' A' ' 54' ' ' PRO . 83.9 m-85 -102.38 -16.65 16.16 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.812 0.339 . . . . 0.0 111.046 -177.496 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.807 HG12 HD13 ' A' ' 25' ' ' ILE . 35.4 m -116.27 151.11 18.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-O 120.936 0.398 . . . . 0.0 110.548 177.785 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.66 ' HG2' ' HB2' ' A' ' 12' ' ' LYS . 5.8 mm-40 -125.47 167.13 15.43 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.716 -0.675 . . . . 0.0 109.619 -177.606 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' ARG . . . . . 0.468 ' HA ' ' CG1' ' A' ' 9' ' ' VAL . 16.0 mtm180 -92.25 -120.1 0.08 Allowed 'General case' 0 C--N 1.319 -0.735 0 N-CA-C 109.682 -0.488 . . . . 0.0 109.682 173.635 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.871 ' HA ' ' HE2' ' A' ' 61' ' ' LYS . 8.1 mmpt? -90.96 136.98 32.71 Favored 'General case' 0 C--N 1.315 -0.916 0 CA-C-O 120.723 0.296 . . . . 0.0 110.296 173.605 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 9.3 t30 -76.52 137.73 39.79 Favored 'General case' 0 C--N 1.327 -0.413 0 N-CA-C 109.768 -0.456 . . . . 0.0 109.768 178.022 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 8.5 t . . . . . 0 C--O 1.249 1.075 0 CA-C-O 118.621 -0.704 . . . . 0.0 109.469 179.344 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.605 0 N-CA-C 111.893 -0.483 . . . . 0.0 111.893 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 33.1 t -103.24 104.7 14.85 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 120.88 0.371 . . . . 0.0 110.02 -179.093 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 66.8 mtm -128.07 93.95 3.8 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.192 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -87.92 -70.87 0.6 Allowed 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.643 179.122 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 -160.05 98.72 1.33 Allowed 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 108.847 -0.798 . . . . 0.0 108.847 178.417 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.418 ' HB2' ' HD1' ' A' ' 32' ' ' TRP . 29.1 mm-40 -82.68 173.86 11.53 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.057 -0.519 . . . . 0.0 111.672 -171.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 60.9 t -74.94 104.33 3.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.15 179.583 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 54.6 t -99.82 134.66 38.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-O 121.705 0.764 . . . . 0.0 111.409 -178.659 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.568 ' HB ' ' O ' ' A' ' 59' ' ' GLU . 17.3 m -111.54 177.95 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.316 -0.869 0 CA-C-N 114.565 -1.198 . . . . 0.0 109.418 178.796 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.441 ' HA ' ' HA ' ' A' ' 30' ' ' ARG . 9.6 p -140.95 138.96 34.38 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.791 0 CA-C-O 121.1 0.476 . . . . 0.0 110.382 179.846 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.467 ' HA ' ' HA ' ' A' ' 58' ' ' VAL . . . -87.67 142.81 27.55 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.787 -178.551 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.491 ' O ' ' HG3' ' A' ' 27' ' ' LYS . 0.1 OUTLIER -89.08 -40.47 12.92 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.647 -179.481 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 66.4 m-85 -129.73 152.97 48.65 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.053 0.454 . . . . 0.0 111.655 -179.507 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 0.424 ' OD1' ' HG3' ' A' ' 26' ' ' LYS . 12.6 m-20 -59.65 133.33 56.0 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.26 -0.882 . . . . 0.0 111.781 179.237 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' TYR . . . . . 0.605 ' HB3' ' CG1' ' A' ' 25' ' ' ILE . 42.7 t80 -135.76 111.77 9.58 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 109.655 -0.498 . . . . 0.0 109.655 172.106 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 57.3 t -82.02 133.01 30.11 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.378 -179.202 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.55 ' HB1' ' HB2' ' A' ' 22' ' ' GLU . . . -84.18 130.6 34.83 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 109.172 -0.677 . . . . 0.0 109.172 178.227 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 70.4 mt-30 -65.93 -44.98 83.51 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-O 120.883 0.373 . . . . 0.0 110.881 -177.896 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' GLN . . . . . 0.672 ' HB2' ' HG2' ' A' ' 21' ' ' GLN . 27.3 mm-40 -140.57 173.54 11.4 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 177.809 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -71.52 -3.17 19.77 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.784 0.326 . . . . 0.0 111.064 -179.808 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.672 ' HG2' ' HB2' ' A' ' 19' ' ' GLN . 13.0 pt20 -71.94 -24.84 61.68 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 121.484 0.659 . . . . 0.0 109.639 171.237 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.55 ' HB2' ' HB1' ' A' ' 17' ' ' ALA . 3.4 mm-40 -98.4 177.28 5.4 Favored 'General case' 0 N--CA 1.448 -0.565 0 CA-C-N 114.947 -1.024 . . . . 0.0 108.839 -178.051 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.811 ' HG ' HG23 ' A' ' 43' ' ' VAL . 1.3 tm? -108.55 128.54 54.91 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 108.501 -0.926 . . . . 0.0 108.501 175.671 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 3.5 p-10 -94.55 128.99 41.52 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.197 0.522 . . . . 0.0 110.13 -179.532 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.766 HD13 HG12 ' A' ' 58' ' ' VAL . 1.0 OUTLIER -132.66 171.99 17.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.482 -179.484 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.539 ' HB3' ' HB2' ' A' ' 29' ' ' GLU . 0.0 OUTLIER -140.39 165.56 27.1 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 109.559 -0.534 . . . . 0.0 109.559 -175.606 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.491 ' HG3' ' O ' ' A' ' 12' ' ' LYS . 84.4 tttt -65.49 126.43 28.26 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 109.489 -0.56 . . . . 0.0 109.489 173.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 68.05 27.07 7.1 Favored 'General case' 0 N--CA 1.468 0.442 0 CA-C-O 121.358 0.599 . . . . 0.0 109.921 -179.582 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.539 ' HB2' ' HB3' ' A' ' 26' ' ' LYS . 4.8 tp10 -96.82 131.23 43.76 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 109.08 -0.711 . . . . 0.0 109.08 177.367 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.556 ' O ' HD13 ' A' ' 31' ' ' LEU . 15.4 ptt180 -92.14 130.66 37.81 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 120.976 0.417 . . . . 0.0 110.269 179.594 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.556 HD13 ' O ' ' A' ' 30' ' ' ARG . 1.3 mm? -122.14 165.75 15.63 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 116.011 -0.541 . . . . 0.0 109.705 -177.558 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' TRP . . . . . 0.418 ' HD1' ' HB2' ' A' ' 6' ' ' GLU . 19.9 m-90 -99.66 121.2 40.88 Favored 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 109.871 -0.418 . . . . 0.0 109.871 178.483 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.628 ' HA ' HG12 ' A' ' 43' ' ' VAL . 44.8 tp -98.47 125.5 43.69 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.175 0.512 . . . . 0.0 111.502 -174.275 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -103.32 -52.69 2.96 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.219 179.498 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' ASP . . . . . 0.492 ' OD2' ' HD3' ' A' ' 42' ' ' ARG . 26.5 m-20 -131.8 130.35 41.69 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.804 -178.575 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' ASP . . . . . 0.569 ' HB3' HD21 ' A' ' 33' ' ' LEU . 13.2 p-10 -135.75 22.21 3.34 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.386 0.612 . . . . 0.0 109.829 177.762 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 43.7 t -72.87 -38.19 67.1 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.368 -0.833 . . . . 0.0 111.749 -174.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 37.4 ttpt -159.16 144.61 16.11 Favored 'General case' 0 C--N 1.326 -0.454 0 C-N-CA 121.079 -0.248 . . . . 0.0 111.188 -172.218 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 25.1 m 67.92 -162.07 0.21 Allowed 'General case' 0 C--O 1.234 0.287 0 O-C-N 123.764 0.665 . . . . 0.0 111.382 175.845 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' TRP . . . . . 0.428 ' CB ' ' HB3' ' A' ' 52' ' ' PHE . 11.0 m0 -54.6 141.29 32.17 Favored 'General case' 0 C--O 1.232 0.165 0 CA-C-N 115.901 -0.591 . . . . 0.0 109.89 175.074 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 45.4 m0 -74.69 139.55 43.57 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 121.295 0.569 . . . . 0.0 111.085 -175.003 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.492 ' HD3' ' OD2' ' A' ' 35' ' ' ASP . 33.3 ttt180 -97.86 108.31 20.99 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.308 -0.86 . . . . 0.0 109.93 -175.637 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.811 HG23 ' HG ' ' A' ' 23' ' ' LEU . 5.0 m -132.91 164.43 35.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-O 121.449 0.642 . . . . 0.0 112.441 -174.078 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.556 ' HG2' ' O ' ' A' ' 49' ' ' LYS . 0.3 OUTLIER -131.8 127.53 36.85 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 107.821 -1.177 . . . . 0.0 107.821 175.206 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 45' ' ' ASN . . . . . 0.664 ' HB3' HD11 ' A' ' 23' ' ' LEU . 39.7 p-10 -103.39 -175.62 2.85 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 121.082 0.468 . . . . 0.0 111.88 -170.326 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 5.4 p -71.41 -15.08 62.34 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-N 115.831 -0.622 . . . . 0.0 111.882 -178.167 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' MET . . . . . 0.442 ' HG3' ' HG2' ' A' ' 49' ' ' LYS . 16.9 tpt -78.56 -1.85 35.98 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.196 0.522 . . . . 0.0 109.803 176.525 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 25.6 m-80 70.08 21.17 6.17 Favored 'General case' 0 N--CA 1.463 0.18 0 CA-C-N 115.272 -0.876 . . . . 0.0 110.726 176.218 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.556 ' O ' ' HG2' ' A' ' 44' ' ' ARG . 75.3 mmtt -102.1 167.36 10.07 Favored 'General case' 0 N--CA 1.449 -0.504 0 N-CA-C 109.569 -0.53 . . . . 0.0 109.569 177.631 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' THR . . . . . 0.446 ' HA ' HD23 ' A' ' 23' ' ' LEU . 2.7 m -139.73 149.41 43.59 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 120.869 0.366 . . . . 0.0 110.74 178.051 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 175.68 -160.47 28.79 Favored Glycine 0 N--CA 1.446 -0.643 0 CA-C-N 115.636 -0.711 . . . . 0.0 111.342 -178.192 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.428 ' HB3' ' CB ' ' A' ' 40' ' ' TRP . 95.9 m-85 -114.75 142.26 46.76 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.797 0.332 . . . . 0.0 110.146 -179.413 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.537 HG13 ' HB3' ' A' ' 23' ' ' LEU . 15.7 m -125.71 150.24 67.85 Favored Pre-proline 0 C--N 1.321 -0.666 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.726 -178.739 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.554 ' O ' HG22 ' A' ' 58' ' ' VAL . 54.5 Cg_endo -70.11 128.28 15.49 Favored 'Trans proline' 0 CA--C 1.53 0.288 0 C-N-CA 123.098 2.532 . . . . 0.0 112.598 177.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 12.6 p -68.07 -10.98 58.11 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.919 -0.582 . . . . 0.0 112.034 -176.687 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 95.1 m-20 -84.97 -19.03 32.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.734 0.302 . . . . 0.0 111.308 179.396 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' TYR . . . . . 0.447 ' HB2' ' HG2' ' A' ' 54' ' ' PRO . 50.8 m-85 -108.37 -27.67 9.84 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.527 -0.306 . . . . 0.0 110.61 -177.916 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.766 HG12 HD13 ' A' ' 25' ' ' ILE . 28.9 m -109.45 149.27 12.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 N-CA-C 109.794 -0.447 . . . . 0.0 109.794 176.753 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.568 ' O ' ' HB ' ' A' ' 9' ' ' VAL . 38.2 mt-10 -137.89 166.45 24.0 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 121.015 0.436 . . . . 0.0 111.025 -178.769 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' ARG . . . . . 0.435 HH11 ' HD2' ' A' ' 60' ' ' ARG . 14.1 mtp180 -75.03 -151.59 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.46 -0.791 . . . . 0.0 110.242 178.889 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.41 ' HE2' ' HB3' ' A' ' 61' ' ' LYS . 44.5 mtpt -72.86 83.88 1.22 Allowed 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.014 0.435 . . . . 0.0 110.756 -178.618 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 45.7 t30 -171.13 116.5 0.44 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.273 -0.876 . . . . 0.0 109.44 176.174 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 15.0 m . . . . . 0 C--O 1.248 1.022 0 CA-C-O 118.764 -0.636 . . . . 0.0 111.037 -176.223 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.726 0 N-CA-C 112.309 -0.316 . . . . 0.0 112.309 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.7 p -129.84 99.5 5.14 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.069 0.461 . . . . 0.0 109.967 176.002 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 1.5 mpt? -79.05 81.98 5.27 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.872 -176.725 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -158.28 140.99 14.6 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.626 -0.715 . . . . 0.0 110.003 178.287 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -120.93 144.68 48.32 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.775 0.321 . . . . 0.0 110.442 177.347 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.44 ' HB2' ' HD1' ' A' ' 32' ' ' TRP . 21.5 mt-10 -83.9 -171.59 3.68 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.624 -0.717 . . . . 0.0 110.263 177.705 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 12.4 m -76.23 110.54 11.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-O 121.453 0.644 . . . . 0.0 110.718 179.845 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 81.1 t -106.57 136.88 39.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-O 121.778 0.799 . . . . 0.0 112.109 -174.389 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.521 ' HB ' ' O ' ' A' ' 59' ' ' GLU . 5.8 m -116.39 178.04 1.97 Allowed 'Isoleucine or valine' 0 C--N 1.313 -1.017 0 CA-C-N 114.199 -1.364 . . . . 0.0 109.312 177.199 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 14.8 p -136.48 147.74 27.51 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.735 0 C-N-CA 120.72 -0.392 . . . . 0.0 110.312 -179.645 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.493 ' HB1' HD12 ' A' ' 25' ' ' ILE . . . -83.92 144.35 29.25 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 121.081 0.467 . . . . 0.0 111.919 -178.13 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 2.7 ttmm -88.85 -46.84 8.63 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.513 -0.767 . . . . 0.0 110.537 178.493 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.459 ' HB2' ' HD2' ' A' ' 57' ' ' TYR . 39.3 m-85 -138.27 157.08 46.98 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 109.484 -0.561 . . . . 0.0 109.484 174.76 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 0.663 ' HB3' ' HD2' ' A' ' 26' ' ' LYS . 0.4 OUTLIER -69.02 138.53 54.56 Favored 'General case' 0 N--CA 1.446 -0.648 0 CA-C-O 121.85 0.834 . . . . 0.0 112.725 -177.368 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 9.7 t80 -137.11 111.31 8.42 Favored 'General case' 0 C--N 1.316 -0.863 0 CA-C-N 114.293 -1.321 . . . . 0.0 109.343 174.368 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 58.5 t -94.18 118.31 39.85 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.704 0 CA-C-O 121.096 0.474 . . . . 0.0 110.648 179.114 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -85.25 116.84 23.83 Favored 'General case' 0 N--CA 1.443 -0.781 0 N-CA-C 108.77 -0.826 . . . . 0.0 108.77 175.28 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 6.3 mt-30 -62.71 -30.93 71.78 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.444 0.64 . . . . 0.0 110.227 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' GLN . . . . . 0.473 ' HB3' ' HG2' ' A' ' 21' ' ' GLN . 7.3 mm100 -102.09 120.31 40.23 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.151 -0.931 . . . . 0.0 109.462 179.772 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 34.7 mt-10 -71.4 -7.58 48.21 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-O 120.742 0.306 . . . . 0.0 111.502 -177.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.473 ' HG2' ' HB3' ' A' ' 19' ' ' GLN . 12.1 pt20 -66.56 -20.27 65.98 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.188 0.518 . . . . 0.0 109.816 171.28 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 72.8 mm-40 -104.24 -177.13 3.28 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.183 -0.917 . . . . 0.0 109.172 175.249 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.733 HD21 ' H ' ' A' ' 45' ' ' ASN . 0.6 OUTLIER -104.17 127.39 51.78 Favored 'General case' 0 N--CA 1.444 -0.758 0 C-N-CA 120.027 -0.669 . . . . 0.0 110.407 -174.892 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -99.59 130.16 45.8 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.78 -0.646 . . . . 0.0 109.759 175.43 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.751 HD13 HG12 ' A' ' 58' ' ' VAL . 1.3 pt -127.37 159.71 37.4 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-O 121.048 0.452 . . . . 0.0 110.625 -177.747 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.663 ' HD2' ' HB3' ' A' ' 14' ' ' ASP . 25.3 tptp -126.22 152.64 45.79 Favored 'General case' 0 C--N 1.316 -0.858 0 N-CA-C 109.129 -0.693 . . . . 0.0 109.129 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.47 ' H ' ' HB3' ' A' ' 14' ' ' ASP . 78.7 tttt -56.16 127.43 30.66 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 110.274 -0.269 . . . . 0.0 110.274 177.918 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 62.5 t30 69.57 23.29 5.97 Favored 'General case' 0 CA--C 1.535 0.375 0 O-C-N 123.954 0.784 . . . . 0.0 110.934 178.664 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 11.2 tp10 -99.23 147.1 25.49 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 109.252 -0.647 . . . . 0.0 109.252 176.853 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.59 ' O ' HD13 ' A' ' 31' ' ' LEU . 2.0 ptm180 -95.0 135.82 36.06 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-O 120.693 0.282 . . . . 0.0 110.281 -177.882 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.59 HD13 ' O ' ' A' ' 30' ' ' ARG . 1.6 mm? -123.97 167.97 13.44 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 109.337 -0.616 . . . . 0.0 109.337 179.229 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' TRP . . . . . 0.567 ' HB2' ' HB3' ' A' ' 44' ' ' ARG . 28.7 m-90 -105.4 125.01 50.5 Favored 'General case' 0 C--N 1.317 -0.841 0 N-CA-C 109.374 -0.602 . . . . 0.0 109.374 174.612 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.584 ' HA ' HG12 ' A' ' 43' ' ' VAL . 41.1 tp -97.18 116.39 29.29 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 121.02 0.438 . . . . 0.0 111.33 -173.554 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -102.34 -33.64 9.5 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.064 -178.287 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' ASP . . . . . 0.558 ' HB3' ' HB3' ' A' ' 42' ' ' ARG . 31.1 t70 -146.44 132.53 19.3 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.409 -0.36 . . . . 0.0 111.258 -174.282 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 8.2 p-10 -149.81 85.78 1.43 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 122.094 0.95 . . . . 0.0 109.617 177.479 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' SER . . . . . 0.453 ' O ' ' HG3' ' A' ' 38' ' ' LYS . 29.2 p -77.84 -49.48 14.19 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.832 -179.653 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.453 ' HG3' ' O ' ' A' ' 37' ' ' SER . 53.2 mtpt -160.43 -84.35 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.217 0.532 . . . . 0.0 110.134 179.682 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 19.6 m -107.38 142.26 37.48 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.382 -0.827 . . . . 0.0 109.565 179.481 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' TRP . . . . . 0.453 ' HA ' ' O ' ' A' ' 53' ' ' VAL . 76.5 m95 66.18 100.52 0.04 OUTLIER 'General case' 0 N--CA 1.468 0.436 0 CA-C-O 121.638 0.732 . . . . 0.0 110.876 -176.261 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 48.3 m0 -98.2 155.9 16.95 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.156 -176.375 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.558 ' HB3' ' HB3' ' A' ' 35' ' ' ASP . 33.5 ttt180 -103.16 112.92 26.01 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 109.701 -0.481 . . . . 0.0 109.701 179.579 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.628 HG23 ' HG ' ' A' ' 23' ' ' LEU . 10.9 m -128.27 164.93 28.79 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-O 121.61 0.719 . . . . 0.0 112.231 -173.627 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.567 ' HB3' ' HB2' ' A' ' 32' ' ' TRP . 23.5 ttm180 -114.79 128.78 56.5 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 114.692 -1.14 . . . . 0.0 108.807 174.799 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' ASN . . . . . 0.733 ' H ' HD21 ' A' ' 23' ' ' LEU . 50.6 t30 -90.89 169.66 10.73 Favored 'General case' 0 C--N 1.317 -0.845 0 N-CA-C 109.384 -0.598 . . . . 0.0 109.384 176.261 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 4.7 p -68.8 -7.71 36.69 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.61 -176.448 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 44.6 tpp -91.75 14.53 15.08 Favored 'General case' 0 CA--C 1.536 0.413 0 CA-C-O 121.197 0.522 . . . . 0.0 109.871 176.902 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 47.3 m-80 69.47 14.42 8.37 Favored 'General case' 0 N--CA 1.47 0.563 0 CA-C-N 115.42 -0.809 . . . . 0.0 112.674 169.676 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 47.4 mtmt -97.33 164.32 12.52 Favored 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 109.736 -0.468 . . . . 0.0 109.736 176.049 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' THR . . . . . 0.401 ' HA ' HD23 ' A' ' 23' ' ' LEU . 4.1 m -137.14 153.58 50.46 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 110.182 -0.303 . . . . 0.0 110.182 178.277 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 173.7 -172.44 45.25 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 121.224 -0.512 . . . . 0.0 112.044 -179.121 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 65.7 m-85 -100.02 139.73 35.26 Favored 'General case' 0 CA--C 1.516 -0.349 0 CA-C-O 121.191 0.52 . . . . 0.0 110.305 179.421 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.477 HG13 ' HB3' ' A' ' 23' ' ' LEU . 22.6 m -125.41 148.72 62.2 Favored Pre-proline 0 C--N 1.318 -0.801 0 CA-C-N 115.392 -0.822 . . . . 0.0 111.192 179.579 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.417 ' O ' HG22 ' A' ' 58' ' ' VAL . 30.1 Cg_endo -62.65 118.76 5.65 Favored 'Trans proline' 0 N--CA 1.464 -0.257 0 C-N-CA 123.066 2.511 . . . . 0.0 111.968 178.509 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' SER . . . . . 0.416 ' HA ' HG22 ' A' ' 58' ' ' VAL . 1.9 p -65.65 -11.13 42.1 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.641 -178.614 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 14.6 m120 -76.12 -23.2 54.88 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.87 176.661 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' TYR . . . . . 0.459 ' HD2' ' HB2' ' A' ' 13' ' ' PHE . 90.1 m-85 -115.08 -10.23 12.23 Favored 'General case' 0 N--CA 1.452 -0.358 0 CA-C-N 116.356 -0.383 . . . . 0.0 111.776 -172.917 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.751 HG12 HD13 ' A' ' 25' ' ' ILE . 32.8 m -115.14 154.98 16.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-O 120.703 0.287 . . . . 0.0 110.801 -179.744 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.521 ' O ' ' HB ' ' A' ' 9' ' ' VAL . 8.6 mm-40 -132.64 165.42 24.48 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.929 -175.137 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' ARG . . . . . 0.512 ' HA ' HG12 ' A' ' 9' ' ' VAL . 87.6 mtt180 -83.43 -139.04 0.05 Allowed 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.912 -0.586 . . . . 0.0 109.423 172.189 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 57.1 mttm -74.1 79.14 1.74 Allowed 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 109.568 -0.53 . . . . 0.0 109.568 172.94 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 22.8 t-20 -86.4 129.17 34.95 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.76 -0.655 . . . . 0.0 110.656 -176.267 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 40.4 m . . . . . 0 C--O 1.246 0.906 0 CA-C-O 118.577 -0.725 . . . . 0.0 109.896 178.346 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.721 0 N-CA-C 112.298 -0.321 . . . . 0.0 112.298 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.4 m -67.8 153.18 44.28 Favored 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 122.383 0.273 . . . . 0.0 110.701 179.822 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 69.3 mtm 56.41 68.38 0.87 Allowed 'General case' 0 N--CA 1.467 0.386 0 CA-C-O 121.421 0.629 . . . . 0.0 110.486 -176.723 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -126.12 166.97 16.04 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.603 -0.726 . . . . 0.0 111.0 -176.566 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 -112.65 39.28 2.53 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 121.903 0.859 . . . . 0.0 109.692 -177.732 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 12.9 mm-40 -81.33 109.08 15.5 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.297 -0.865 . . . . 0.0 110.919 -176.715 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 46.0 t -80.01 92.58 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-O 121.454 0.645 . . . . 0.0 109.771 175.82 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.593 ' O ' ' HD2' ' A' ' 61' ' ' LYS . 40.8 t -102.1 134.59 42.31 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-N 115.439 -0.801 . . . . 0.0 112.152 -173.911 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.653 ' HB ' ' O ' ' A' ' 59' ' ' GLU . 17.0 m -105.02 -174.93 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.706 0 CA-C-N 114.856 -1.066 . . . . 0.0 109.043 176.553 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 14.4 p -139.97 148.77 22.49 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 O-C-N 121.874 -0.516 . . . . 0.0 110.423 -178.918 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.572 ' HA ' ' HA ' ' A' ' 58' ' ' VAL . . . -94.56 145.69 24.64 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 121.257 0.551 . . . . 0.0 111.618 -178.199 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 4.6 tppp? -89.9 -48.99 6.87 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.527 -0.76 . . . . 0.0 110.461 -179.627 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 49.7 m-85 -129.48 155.64 45.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.112 0.482 . . . . 0.0 111.393 -176.746 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 0.461 ' OD1' ' HG3' ' A' ' 26' ' ' LYS . 11.5 m-20 -61.64 133.57 55.77 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 114.924 -1.035 . . . . 0.0 111.268 178.531 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' TYR . . . . . 0.542 ' HB3' HG13 ' A' ' 25' ' ' ILE . 24.9 t80 -135.93 112.7 10.18 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.396 0.617 . . . . 0.0 110.482 175.074 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 48.0 t -84.86 129.14 38.21 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.155 178.888 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.56 ' HB1' ' HB2' ' A' ' 22' ' ' GLU . . . -91.3 177.91 6.11 Favored 'General case' 0 N--CA 1.449 -0.5 0 CA-C-N 116.196 -0.456 . . . . 0.0 109.839 -178.545 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 30.9 mt-30 -90.35 -58.52 2.47 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.08 0.467 . . . . 0.0 110.85 179.204 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 3.5 mm-40 -143.52 -174.75 4.32 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.192 -179.335 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 31.7 tt0 -65.12 -13.54 58.34 Favored 'General case' 0 CA--C 1.535 0.379 0 CA-C-O 121.425 0.631 . . . . 0.0 110.626 178.328 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.485 ' HG3' ' HG2' ' A' ' 22' ' ' GLU . 13.8 pt20 -68.19 -21.3 64.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.467 0.651 . . . . 0.0 110.072 174.173 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.56 ' HB2' ' HB1' ' A' ' 17' ' ' ALA . 6.4 mm-40 -108.94 -179.2 3.79 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.269 -0.878 . . . . 0.0 108.963 -179.23 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.788 HD11 ' HB3' ' A' ' 45' ' ' ASN . 0.9 OUTLIER -113.6 129.3 56.59 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 109.272 -0.64 . . . . 0.0 109.272 175.134 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 8.1 p-10 -101.21 130.92 47.41 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 120.974 0.416 . . . . 0.0 110.407 177.881 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.692 HD13 HG12 ' A' ' 58' ' ' VAL . 1.0 OUTLIER -131.71 165.69 31.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.217 -178.673 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.461 ' HG3' ' OD1' ' A' ' 14' ' ' ASP . 7.2 tptm -135.69 164.85 26.94 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 110.101 -0.333 . . . . 0.0 110.101 -177.703 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 79.7 tttt -60.67 125.99 25.77 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.636 0.255 . . . . 0.0 110.462 177.723 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 67.0 t30 66.73 25.91 9.65 Favored 'General case' 0 N--CA 1.469 0.487 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.721 178.408 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 10.6 tp10 -94.31 145.96 24.37 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 109.076 -0.713 . . . . 0.0 109.076 176.18 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.657 ' O ' HD13 ' A' ' 31' ' ' LEU . 9.8 ptp180 -94.69 139.33 31.38 Favored 'General case' 0 C--N 1.32 -0.71 0 N-CA-C 109.376 -0.601 . . . . 0.0 109.376 -179.867 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.657 HD13 ' O ' ' A' ' 30' ' ' ARG . 2.0 mm? -127.85 163.82 23.57 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.884 0.374 . . . . 0.0 110.277 178.485 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' TRP . . . . . 0.598 ' HB2' ' HB3' ' A' ' 44' ' ' ARG . 6.8 m-90 -98.09 117.71 33.07 Favored 'General case' 0 C--N 1.317 -0.838 0 N-CA-C 109.341 -0.614 . . . . 0.0 109.341 176.297 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.518 ' HA ' HG12 ' A' ' 43' ' ' VAL . 25.5 tp -96.83 113.47 25.02 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.07 0.462 . . . . 0.0 111.049 -177.119 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -98.75 -58.58 1.92 Allowed 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.271 -179.397 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' ASP . . . . . 0.629 ' HB2' ' HB3' ' A' ' 42' ' ' ARG . 3.0 m-20 -108.09 137.98 45.14 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.611 -177.483 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 67.8 t0 -149.99 64.19 0.98 Allowed 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 108.485 -0.931 . . . . 0.0 108.485 177.321 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 17.4 p -114.54 -48.31 2.87 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.628 -0.715 . . . . 0.0 111.501 -179.035 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 59.9 tttp -174.24 151.94 1.73 Allowed 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 116.455 -0.339 . . . . 0.0 110.309 179.862 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 63.5 m 66.68 88.69 0.11 Allowed 'General case' 0 C--O 1.234 0.259 0 O-C-N 123.849 0.718 . . . . 0.0 111.624 176.648 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 4.6 m-90 60.79 -172.47 0.13 Allowed 'General case' 0 C--O 1.234 0.274 0 CA-C-N 115.022 -0.99 . . . . 0.0 110.921 179.273 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' TRP . . . . . 0.563 ' CE3' HG23 ' A' ' 58' ' ' VAL . 9.5 m0 -121.43 130.08 53.37 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.609 174.539 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.629 ' HB3' ' HB2' ' A' ' 35' ' ' ASP . 39.5 ttt180 -87.75 104.64 16.75 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.569 -0.742 . . . . 0.0 109.144 179.467 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.582 HG23 ' HG ' ' A' ' 23' ' ' LEU . 7.7 m -129.23 157.36 42.05 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 CA-C-N 115.788 -0.642 . . . . 0.0 112.288 -173.138 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.598 ' HB3' ' HB2' ' A' ' 32' ' ' TRP . 44.0 ttt180 -111.58 132.08 54.8 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 114.786 -1.097 . . . . 0.0 108.862 172.78 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' ASN . . . . . 0.788 ' HB3' HD11 ' A' ' 23' ' ' LEU . 40.0 p-10 -98.78 -174.57 2.82 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 120.969 0.414 . . . . 0.0 111.69 -175.83 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 21.7 m -65.84 -19.73 65.99 Favored 'General case' 0 CA--C 1.531 0.217 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.526 -179.261 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' MET . . . . . 0.436 ' HA ' ' CE ' ' A' ' 47' ' ' MET . 3.5 tpt -84.12 4.97 27.97 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-O 121.23 0.538 . . . . 0.0 109.801 176.363 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' ASN . . . . . 0.578 ' HA ' ' HE ' ' A' ' 44' ' ' ARG . 23.2 m-80 65.57 16.95 10.75 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-N 115.331 -0.849 . . . . 0.0 111.118 175.29 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.55 ' O ' ' HA ' ' A' ' 44' ' ' ARG . 46.2 mmtm -93.51 168.92 10.73 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 109.093 -0.706 . . . . 0.0 109.093 177.546 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' THR . . . . . 0.418 ' CA ' HD23 ' A' ' 23' ' ' LEU . 7.2 m -139.39 150.8 45.72 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 121.101 0.477 . . . . 0.0 111.014 -178.642 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 179.61 -166.52 35.85 Favored Glycine 0 N--CA 1.444 -0.767 0 CA-C-N 115.103 -0.953 . . . . 0.0 111.101 -178.302 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 91.9 m-85 -110.3 127.51 55.06 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 120.982 0.42 . . . . 0.0 111.09 -179.387 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.523 HG13 ' HB3' ' A' ' 23' ' ' LEU . 28.6 m -118.25 160.19 40.4 Favored Pre-proline 0 C--N 1.324 -0.502 0 CA-C-N 115.546 -0.752 . . . . 0.0 111.231 179.646 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.664 ' HG2' ' HB2' ' A' ' 57' ' ' TYR . 41.4 Cg_endo -68.26 126.01 13.73 Favored 'Trans proline' 0 C--N 1.344 0.305 0 C-N-CA 122.85 2.367 . . . . 0.0 112.129 176.499 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 20.2 m -66.74 -9.29 35.05 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.882 -0.599 . . . . 0.0 112.047 -177.051 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 94.1 m-20 -90.0 -25.63 20.76 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.832 0.349 . . . . 0.0 111.34 178.726 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' TYR . . . . . 0.664 ' HB2' ' HG2' ' A' ' 54' ' ' PRO . 37.1 m-85 -94.59 -22.4 18.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.563 -0.289 . . . . 0.0 110.742 -177.539 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.692 HG12 HD13 ' A' ' 25' ' ' ILE . 33.4 m -116.73 148.23 19.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 N-CA-C 109.241 -0.652 . . . . 0.0 109.241 173.569 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.653 ' O ' ' HB ' ' A' ' 9' ' ' VAL . 49.2 mt-10 -137.13 166.57 23.4 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.119 0.485 . . . . 0.0 111.76 -175.673 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -78.4 -179.73 6.5 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.591 -0.731 . . . . 0.0 111.559 -179.697 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.593 ' HD2' ' O ' ' A' ' 8' ' ' VAL . 0.2 OUTLIER -100.63 112.97 25.44 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.458 -0.792 . . . . 0.0 108.932 172.532 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 62' ' ' ASN . . . . . 0.47 ' HB2' ' O ' ' A' ' 61' ' ' LYS . 12.0 m120 72.77 158.76 0.21 Allowed 'General case' 0 N--CA 1.471 0.582 0 O-C-N 123.61 0.569 . . . . 0.0 111.383 -175.397 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 5.3 p . . . . . 0 C--O 1.248 1.002 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.714 179.609 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.677 0 N-CA-C 112.154 -0.378 . . . . 0.0 112.154 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 30.1 p -84.96 134.11 34.25 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 110.143 -0.317 . . . . 0.0 110.143 177.332 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 2.1 mpt? -82.81 -66.3 0.91 Allowed 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.638 -0.256 . . . . 0.0 110.5 -178.914 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . 58.41 86.3 0.08 Allowed 'General case' 0 N--CA 1.465 0.314 0 O-C-N 123.753 0.658 . . . . 0.0 111.569 -179.689 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -100.28 101.19 12.13 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.175 178.596 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 63.8 mt-10 -73.64 143.3 46.35 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.919 -178.163 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 27.6 m -70.73 136.62 25.57 Favored 'Isoleucine or valine' 0 C--O 1.235 0.339 0 CA-C-N 115.892 -0.595 . . . . 0.0 111.676 -176.81 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 55.7 t -110.72 140.97 27.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-N 115.697 -0.683 . . . . 0.0 111.218 -178.286 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.449 HG23 ' HB2' ' A' ' 31' ' ' LEU . 7.4 m -116.31 -177.52 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.317 -0.835 0 CA-C-N 115.166 -0.924 . . . . 0.0 109.709 177.904 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 14.5 p -140.56 151.12 20.77 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 CA-C-O 120.843 0.354 . . . . 0.0 110.409 -177.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -92.81 141.62 28.24 Favored 'General case' 0 C--N 1.319 -0.731 0 N-CA-C 112.18 0.437 . . . . 0.0 112.18 -178.58 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.487 ' HB2' ' CG ' ' A' ' 59' ' ' GLU . 33.0 ttmt -79.19 -52.72 7.78 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.015 177.262 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 58.5 m-85 -133.31 163.95 28.18 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.432 -0.804 . . . . 0.0 109.67 177.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 0.62 ' HB3' ' HD2' ' A' ' 26' ' ' LYS . 0.6 OUTLIER -68.79 141.93 55.05 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.564 0.697 . . . . 0.0 112.265 179.461 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 15' ' ' TYR . . . . . 0.59 ' HB3' ' CG1' ' A' ' 25' ' ' ILE . 11.9 t80 -137.43 111.36 8.29 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 114.634 -1.166 . . . . 0.0 109.82 176.258 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 43.8 t -86.49 133.79 28.96 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.814 0 CA-C-N 116.052 -0.522 . . . . 0.0 109.803 177.668 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.415 ' HB1' ' HB2' ' A' ' 22' ' ' GLU . . . -92.36 157.97 16.34 Favored 'General case' 0 N--CA 1.443 -0.782 0 N-CA-C 109.405 -0.591 . . . . 0.0 109.405 -175.794 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 3.0 tt0 -63.18 -53.78 47.89 Favored 'General case' 0 C--N 1.316 -0.887 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.501 -178.393 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 48.6 mm-40 -147.44 -176.25 5.16 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.225 177.933 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.722 ' HG2' ' HD3' ' A' ' 49' ' ' LYS . 2.6 tm-20 -63.74 -16.62 61.6 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 123.163 0.585 . . . . 0.0 111.413 -177.2 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.548 ' HG3' ' HG2' ' A' ' 22' ' ' GLU . 14.4 pt20 -59.19 -30.08 67.94 Favored 'General case' 0 CA--C 1.536 0.416 0 CA-C-N 115.917 -0.583 . . . . 0.0 112.13 175.581 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.548 ' HG2' ' HG3' ' A' ' 21' ' ' GLN . 62.1 mm-40 -110.63 -177.1 3.14 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.535 -0.302 . . . . 0.0 110.432 -176.428 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.841 ' HG ' HG23 ' A' ' 43' ' ' VAL . 0.6 OUTLIER -103.7 128.29 51.07 Favored 'General case' 0 N--CA 1.451 -0.41 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 -177.187 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 7.8 p-10 -101.4 133.61 45.76 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 109.398 -0.593 . . . . 0.0 109.398 176.68 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.749 HD13 HG12 ' A' ' 58' ' ' VAL . 1.1 pt -130.9 158.24 43.22 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.679 0 C-N-CA 120.612 -0.435 . . . . 0.0 110.745 -177.48 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.62 ' HD2' ' HB3' ' A' ' 14' ' ' ASP . 59.5 tptt -125.18 152.75 44.09 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 109.106 -0.701 . . . . 0.0 109.106 -177.267 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.452 ' HG3' ' O ' ' A' ' 12' ' ' LYS . 60.3 tttm -57.29 130.46 46.31 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 110.329 -0.249 . . . . 0.0 110.329 178.422 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 17.3 t30 70.4 17.01 7.03 Favored 'General case' 0 CA--C 1.537 0.464 0 O-C-N 123.858 0.724 . . . . 0.0 110.761 177.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -96.96 149.36 21.98 Favored 'General case' 0 C--N 1.328 -0.365 0 O-C-N 121.609 -0.682 . . . . 0.0 110.228 179.561 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.654 ' O ' HD13 ' A' ' 31' ' ' LEU . 6.4 ptp180 -90.38 143.18 27.0 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.215 -177.038 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.654 HD13 ' O ' ' A' ' 30' ' ' ARG . 2.5 mm? -129.71 166.32 20.07 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 109.869 -0.419 . . . . 0.0 109.869 174.549 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 15.4 m-90 -104.77 121.44 43.63 Favored 'General case' 0 C--N 1.316 -0.864 0 N-CA-C 109.204 -0.665 . . . . 0.0 109.204 174.099 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.552 ' HA ' HG12 ' A' ' 43' ' ' VAL . 35.5 tp -96.62 118.11 32.4 Favored 'General case' 0 C--N 1.316 -0.853 0 CA-C-O 120.962 0.411 . . . . 0.0 110.998 -174.359 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -98.44 -46.91 5.59 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.925 -178.407 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 37.7 t70 -126.24 135.67 51.86 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.922 -177.559 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' ASP . . . . . 0.491 ' HA ' ' CD1' ' A' ' 41' ' ' TRP . 11.6 t0 -140.78 87.33 2.11 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 121.676 0.75 . . . . 0.0 109.657 -178.168 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 23.5 p -94.15 -47.18 6.77 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 114.842 -1.072 . . . . 0.0 110.303 173.698 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.479 ' HG2' ' H ' ' A' ' 39' ' ' SER . 79.3 tttt -176.46 -126.7 0.01 OUTLIER 'General case' 0 CA--C 1.532 0.27 0 CA-C-N 115.804 -0.634 . . . . 0.0 109.393 179.255 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.479 ' H ' ' HG2' ' A' ' 38' ' ' LYS . 0.5 OUTLIER -67.34 145.93 54.61 Favored 'General case' 0 C--N 1.325 -0.469 0 C-N-CA 122.014 0.126 . . . . 0.0 110.799 178.69 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 40' ' ' TRP . . . . . 0.436 ' HA ' ' O ' ' A' ' 53' ' ' VAL . 98.3 m95 66.31 93.08 0.07 Allowed 'General case' 0 N--CA 1.463 0.212 0 O-C-N 123.757 0.66 . . . . 0.0 111.264 -175.146 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' TRP . . . . . 0.5 ' CH2' ' HG3' ' A' ' 60' ' ' ARG . 12.7 m0 -94.97 151.51 19.12 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.35 -0.841 . . . . 0.0 110.884 179.737 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 52.8 ttt180 -101.68 108.43 19.96 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 109.082 -0.71 . . . . 0.0 109.082 173.839 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.841 HG23 ' HG ' ' A' ' 23' ' ' LEU . 6.1 m -122.83 163.47 21.49 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.676 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.996 -173.53 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 11.9 ttp180 -119.38 127.52 53.22 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 114.985 -1.007 . . . . 0.0 109.018 176.467 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' ASN . . . . . 0.752 ' HB3' HD11 ' A' ' 23' ' ' LEU . 37.6 p-10 -98.25 -177.73 3.81 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-O 120.696 0.284 . . . . 0.0 111.093 -177.648 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 2.4 p -71.02 -13.6 62.05 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.715 -178.002 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 16.1 tpt -80.35 0.93 30.91 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 109.577 -0.527 . . . . 0.0 109.577 175.038 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 23.7 m-80 69.87 15.93 7.82 Favored 'General case' 0 N--CA 1.469 0.517 0 CA-C-N 115.452 -0.795 . . . . 0.0 110.67 176.738 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.833 ' HE2' ' HA ' ' A' ' 49' ' ' LYS . 7.8 mmpt? -93.78 168.13 11.2 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.474 -0.784 . . . . 0.0 110.011 179.765 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' THR . . . . . 0.497 ' HA ' HD23 ' A' ' 23' ' ' LEU . 3.0 m -141.08 150.72 43.29 Favored 'General case' 0 C--N 1.317 -0.845 0 CA-C-O 120.894 0.378 . . . . 0.0 110.758 179.444 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 177.26 -173.1 45.95 Favored Glycine 0 N--CA 1.446 -0.699 0 CA-C-N 115.824 -0.625 . . . . 0.0 111.678 -178.083 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.479 ' HA ' ' O ' ' A' ' 41' ' ' TRP . 77.1 m-85 -103.45 133.22 48.86 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.043 0.449 . . . . 0.0 110.892 -179.148 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.436 ' O ' ' HA ' ' A' ' 40' ' ' TRP . 27.1 m -121.27 148.35 49.33 Favored Pre-proline 0 C--N 1.324 -0.534 0 CA-C-N 115.491 -0.777 . . . . 0.0 111.391 -179.561 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.564 ' O ' HG22 ' A' ' 58' ' ' VAL . 59.5 Cg_endo -71.74 131.24 18.18 Favored 'Trans proline' 0 CA--C 1.529 0.227 0 C-N-CA 123.477 2.784 . . . . 0.0 113.077 -178.836 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 44.2 t -65.16 -20.37 66.42 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.305 0.574 . . . . 0.0 110.444 179.641 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -65.34 -35.34 80.69 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.43 178.612 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' TYR . . . . . 0.424 ' HB2' ' HG2' ' A' ' 54' ' ' PRO . 73.0 m-85 -104.07 -18.66 14.46 Favored 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 112.21 0.448 . . . . 0.0 112.21 -172.053 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.749 HG12 HD13 ' A' ' 25' ' ' ILE . 32.9 m -110.34 157.75 10.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 C-N-CA 121.03 -0.268 . . . . 0.0 110.98 -179.324 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.487 ' CG ' ' HB2' ' A' ' 12' ' ' LYS . 5.9 mm-40 -137.06 162.42 33.41 Favored 'General case' 0 C--O 1.233 0.188 0 CA-C-O 121.32 0.581 . . . . 0.0 111.978 -174.137 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' ARG . . . . . 0.5 ' HG3' ' CH2' ' A' ' 41' ' ' TRP . 35.1 mtp180 -100.09 133.33 44.64 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.491 -0.777 . . . . 0.0 109.107 169.635 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.494 ' O ' ' HD3' ' A' ' 61' ' ' LYS . 0.0 OUTLIER -73.55 96.48 2.44 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.215 0.531 . . . . 0.0 111.242 -179.559 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 6.1 t30 -59.39 -39.34 83.06 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.809 -0.632 . . . . 0.0 109.418 176.663 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 19.4 p . . . . . 0 C--O 1.249 1.031 0 CA-C-N 115.307 -0.861 . . . . 0.0 109.644 172.612 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.57 0 N-CA-C 111.856 -0.498 . . . . 0.0 111.856 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 69.0 m -119.75 79.82 1.49 Allowed 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.141 0.496 . . . . 0.0 110.096 178.567 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 68.6 mtm -146.56 35.79 0.96 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.571 -0.74 . . . . 0.0 109.461 -179.501 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -78.46 143.75 36.4 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.734 -0.667 . . . . 0.0 111.176 -175.331 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -94.27 155.41 17.04 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.755 178.472 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 3.5 mp0 -76.84 162.23 27.8 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.054 -177.141 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 10.0 m -73.69 101.97 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-O 121.736 0.779 . . . . 0.0 111.627 -178.089 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 38.1 t -95.54 134.56 32.56 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.704 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.67 176.425 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.532 ' HB ' ' O ' ' A' ' 59' ' ' GLU . 14.0 m -106.84 177.58 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.798 0 CA-C-N 115.066 -0.97 . . . . 0.0 109.584 177.176 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 11.7 p -136.66 143.9 34.03 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.891 0 N-CA-C 109.348 -0.612 . . . . 0.0 109.348 -178.786 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.496 ' HB3' ' O ' ' A' ' 26' ' ' LYS . . . -83.84 142.7 30.43 Favored 'General case' 0 C--N 1.316 -0.876 0 CA-C-O 120.979 0.418 . . . . 0.0 111.821 -175.694 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.798 ' HB2' ' HG2' ' A' ' 59' ' ' GLU . 38.6 tttp -80.26 -50.29 10.42 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.093 -178.434 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.412 ' HB2' ' HD2' ' A' ' 57' ' ' TYR . 65.9 m-85 -134.86 161.05 36.32 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.809 -0.632 . . . . 0.0 111.014 -178.384 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 -64.29 119.66 10.72 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.303 -0.862 . . . . 0.0 111.865 -179.716 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 26.2 t80 -132.38 109.95 10.21 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.99 -0.55 . . . . 0.0 109.827 171.059 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 52.2 t -96.07 124.13 48.61 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.739 0 N-CA-C 109.622 -0.51 . . . . 0.0 109.622 178.059 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.55 ' HB1' ' HG3' ' A' ' 22' ' ' GLU . . . -82.74 139.47 33.6 Favored 'General case' 0 C--N 1.318 -0.783 0 N-CA-C 109.063 -0.718 . . . . 0.0 109.063 179.884 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 95.8 mt-30 -72.45 -47.05 52.02 Favored 'General case' 0 C--N 1.319 -0.758 0 C-N-CA 120.772 -0.371 . . . . 0.0 110.938 -175.804 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 12.0 mm100 -109.25 163.03 13.74 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.675 -175.378 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.422 ' HB3' ' HE3' ' A' ' 49' ' ' LYS . 0.9 OUTLIER -73.44 -17.55 61.23 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.525 -179.512 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 30.0 pt20 -73.21 -15.38 61.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.04 0.448 . . . . 0.0 111.11 -178.633 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.55 ' HG3' ' HB1' ' A' ' 17' ' ' ALA . 1.6 pt-20 -110.52 173.36 6.37 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.43 -0.804 . . . . 0.0 108.832 176.091 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.621 ' HG ' HG23 ' A' ' 43' ' ' VAL . 0.9 OUTLIER -104.36 128.84 52.26 Favored 'General case' 0 C--N 1.323 -0.555 0 C-N-CA 120.079 -0.648 . . . . 0.0 110.077 -172.017 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 2.6 p-10 -94.32 132.05 39.31 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.065 0.46 . . . . 0.0 109.914 178.207 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.751 HD13 HG12 ' A' ' 58' ' ' VAL . 1.0 OUTLIER -131.9 176.73 8.31 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.776 0 N-CA-C 109.888 -0.412 . . . . 0.0 109.888 179.468 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.496 ' O ' ' HB3' ' A' ' 11' ' ' ALA . 17.8 tptm -145.17 158.9 43.7 Favored 'General case' 0 C--N 1.318 -0.803 0 N-CA-C 108.512 -0.921 . . . . 0.0 108.512 179.668 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 62.5 tttm -62.13 130.92 47.71 Favored 'General case' 0 N--CA 1.45 -0.46 0 C-N-CA 120.398 -0.521 . . . . 0.0 110.081 179.313 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 2.8 t30 68.06 16.64 9.5 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.34 -0.845 . . . . 0.0 110.895 177.885 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.471 ' HB2' ' HB3' ' A' ' 26' ' ' LYS . 10.0 tp10 -92.52 147.06 23.2 Favored 'General case' 0 C--N 1.331 -0.208 0 N-CA-C 110.125 -0.324 . . . . 0.0 110.125 179.192 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.596 ' O ' HD13 ' A' ' 31' ' ' LEU . 8.0 ptt180 -90.93 132.48 35.92 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.477 -177.199 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.596 HD13 ' O ' ' A' ' 30' ' ' ARG . 1.8 mm? -125.47 166.91 15.78 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 109.256 -0.646 . . . . 0.0 109.256 177.082 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 20.5 m-90 -101.5 121.01 41.19 Favored 'General case' 0 C--N 1.319 -0.741 0 N-CA-C 109.776 -0.453 . . . . 0.0 109.776 174.825 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.59 ' HA ' HG12 ' A' ' 43' ' ' VAL . 30.5 tp -97.24 119.93 36.66 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 121.102 0.477 . . . . 0.0 110.994 -176.931 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -102.57 -35.94 8.54 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.873 -178.745 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' ASP . . . . . 0.489 ' OD2' ' HD3' ' A' ' 42' ' ' ARG . 23.0 m-20 -131.7 128.67 39.44 Favored 'General case' 0 CA--C 1.516 -0.336 0 N-CA-C 112.357 0.503 . . . . 0.0 112.357 -174.505 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 8.7 t0 -135.05 77.91 1.71 Allowed 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 108.437 -0.949 . . . . 0.0 108.437 171.544 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 6.7 p -114.17 -46.8 2.97 Favored 'General case' 0 C--N 1.316 -0.885 0 CA-C-N 115.216 -0.902 . . . . 0.0 111.436 -178.632 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 20.4 ptmt -171.79 171.73 5.11 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.089 -177.729 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 62.1 p 51.21 -123.79 2.16 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 123.576 0.751 . . . . 0.0 112.38 176.413 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 7.0 m0 -88.15 160.66 17.66 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.095 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' TRP . . . . . 0.593 ' HE3' HG23 ' A' ' 58' ' ' VAL . 16.3 m0 -97.63 132.18 43.52 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 120.875 0.369 . . . . 0.0 111.484 -178.692 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.489 ' HD3' ' OD2' ' A' ' 35' ' ' ASP . 59.1 ttt-85 -85.42 109.7 18.63 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.822 -0.626 . . . . 0.0 109.723 176.406 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.621 HG23 ' HG ' ' A' ' 23' ' ' LEU . 4.7 m -126.54 161.49 32.67 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.792 0 CA-C-N 115.359 -0.837 . . . . 0.0 111.411 -177.287 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.402 ' HG3' ' O ' ' A' ' 49' ' ' LYS . 44.2 ttm180 -122.74 131.68 53.89 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-N 114.978 -1.01 . . . . 0.0 109.317 173.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' ASN . . . . . 0.59 ' HB2' HD11 ' A' ' 23' ' ' LEU . 54.2 t30 -96.23 174.55 6.84 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 115.998 -0.546 . . . . 0.0 109.554 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 36.2 m -66.65 -7.93 24.01 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.035 0.445 . . . . 0.0 111.207 -179.34 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 14.9 tpt -85.36 5.17 31.92 Favored 'General case' 0 CA--C 1.532 0.255 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.794 179.468 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 16.8 m120 74.88 -17.06 0.51 Allowed 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 123.354 0.662 . . . . 0.0 111.881 175.718 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.422 ' HE3' ' HB3' ' A' ' 20' ' ' GLU . 75.5 mmtt -69.57 158.66 34.83 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 109.856 -0.424 . . . . 0.0 109.856 176.221 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' THR . . . . . 0.493 ' HA ' HD23 ' A' ' 23' ' ' LEU . 4.6 m -142.45 151.97 42.28 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 109.747 -0.464 . . . . 0.0 109.747 -179.386 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' GLY . . . . . 0.401 ' O ' ' HA ' ' A' ' 42' ' ' ARG . . . 176.55 -163.43 32.55 Favored Glycine 0 N--CA 1.444 -0.802 0 C-N-CA 120.814 -0.708 . . . . 0.0 111.945 -178.633 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 81.0 m-85 -108.56 135.34 49.98 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 120.876 0.369 . . . . 0.0 110.306 -179.109 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.477 HG13 ' HB3' ' A' ' 23' ' ' LEU . 24.0 m -120.82 151.6 54.87 Favored Pre-proline 0 C--N 1.321 -0.646 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.99 179.115 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.513 ' HG2' ' HB2' ' A' ' 57' ' ' TYR . 19.4 Cg_endo -58.99 118.55 5.46 Favored 'Trans proline' 0 N--CA 1.463 -0.292 0 C-N-CA 122.92 2.413 . . . . 0.0 111.796 176.537 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 1.5 p -68.45 -10.91 58.51 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.842 -0.617 . . . . 0.0 112.29 -175.593 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 24.7 p-10 -93.95 -7.6 42.49 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.613 -0.267 . . . . 0.0 111.185 176.748 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' TYR . . . . . 0.513 ' HB2' ' HG2' ' A' ' 54' ' ' PRO . 51.2 m-85 -111.01 -11.44 14.31 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 120.857 0.36 . . . . 0.0 111.102 177.909 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.751 HG12 HD13 ' A' ' 25' ' ' ILE . 35.0 m -120.51 157.68 23.15 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.692 0 N-CA-C 109.325 -0.62 . . . . 0.0 109.325 175.602 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.798 ' HG2' ' HB2' ' A' ' 12' ' ' LYS . 6.5 mm-40 -131.56 154.56 48.7 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.434 0.635 . . . . 0.0 112.286 -174.318 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' ARG . . . . . 0.405 HH11 ' HD3' ' A' ' 60' ' ' ARG . 30.5 mtp-105 -96.51 117.76 31.59 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 108.331 -0.989 . . . . 0.0 108.331 169.642 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.453 ' C ' ' HD2' ' A' ' 61' ' ' LYS . 0.0 OUTLIER -71.34 141.42 50.43 Favored 'General case' 0 C--N 1.319 -0.76 0 N-CA-C 108.518 -0.919 . . . . 0.0 108.518 178.282 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 54.5 t30 -66.15 114.48 5.3 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 109.624 -0.51 . . . . 0.0 109.624 -178.079 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 12.2 p . . . . . 0 C--O 1.247 0.963 0 CA-C-O 118.603 -0.713 . . . . 0.0 111.679 -174.015 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.709 0 N-CA-C 111.862 -0.495 . . . . 0.0 111.862 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 35.9 p -84.07 150.31 25.66 Favored 'General case' 0 N--CA 1.448 -0.552 0 N-CA-C 110.14 -0.319 . . . . 0.0 110.14 177.897 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 15.4 tpt -83.03 -71.17 0.51 Allowed 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 109.889 -0.411 . . . . 0.0 109.889 179.026 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -166.12 -64.45 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.781 179.05 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 9.7 mm-40 53.31 37.36 25.14 Favored 'General case' 0 CA--C 1.52 -0.197 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.787 -174.846 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -75.48 150.21 38.27 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 114.815 -1.084 . . . . 0.0 108.985 178.85 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 47.1 t -67.66 99.7 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-O 120.931 0.396 . . . . 0.0 110.961 -177.292 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 83.2 t -89.67 134.27 29.32 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.423 0 CA-C-O 121.765 0.793 . . . . 0.0 110.823 178.337 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.487 ' HB ' ' O ' ' A' ' 59' ' ' GLU . 9.7 m -116.86 177.96 2.07 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.169 0 CA-C-N 114.4 -1.273 . . . . 0.0 109.087 179.524 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 10.4 p -140.44 140.75 33.9 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.886 0 CA-C-O 121.308 0.575 . . . . 0.0 110.658 -178.446 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.494 ' HA ' ' HA ' ' A' ' 58' ' ' VAL . . . -92.07 145.92 24.14 Favored 'General case' 0 C--N 1.314 -0.956 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.075 178.595 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.46 ' O ' ' HG3' ' A' ' 27' ' ' LYS . 52.4 mttp -111.41 -12.87 13.97 Favored 'General case' 0 C--N 1.321 -0.647 0 C-N-CA 120.229 -0.589 . . . . 0.0 111.213 178.765 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 81.0 m-85 -134.28 145.51 49.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.307 0.575 . . . . 0.0 111.606 174.832 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 24.8 m-20 -61.25 130.75 47.75 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.027 -0.988 . . . . 0.0 112.575 -179.026 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' TYR . . . . . 0.581 ' HB3' ' CG1' ' A' ' 25' ' ' ILE . 54.3 t80 -136.04 111.95 9.54 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.993 -0.548 . . . . 0.0 109.769 168.725 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 46.0 t -94.99 131.11 42.7 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.712 0 N-CA-C 109.856 -0.424 . . . . 0.0 109.856 179.494 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.517 ' HB1' ' HB2' ' A' ' 22' ' ' GLU . . . -87.07 175.64 8.0 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.16 -0.473 . . . . 0.0 109.817 179.239 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 11.5 mt-30 -108.99 -56.94 2.21 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 120.986 0.422 . . . . 0.0 110.284 178.848 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' GLN . . . . . 0.72 ' HB2' ' HG2' ' A' ' 21' ' ' GLN . 12.1 mm100 -104.16 160.56 14.76 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.736 -0.665 . . . . 0.0 110.215 -179.345 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 50.5 mt-10 -71.59 -4.75 28.76 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-O 120.799 0.333 . . . . 0.0 111.653 179.033 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.72 ' HG2' ' HB2' ' A' ' 19' ' ' GLN . 11.2 pt20 -75.9 -20.9 57.67 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.377 0.608 . . . . 0.0 109.83 174.127 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.517 ' HB2' ' HB1' ' A' ' 17' ' ' ALA . 39.9 mt-10 -92.12 -179.52 5.29 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 114.956 -1.02 . . . . 0.0 109.524 179.21 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.844 ' HG ' HG23 ' A' ' 43' ' ' VAL . 0.8 OUTLIER -114.79 128.12 56.12 Favored 'General case' 0 N--CA 1.446 -0.651 0 N-CA-C 108.515 -0.92 . . . . 0.0 108.515 174.767 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -100.67 132.41 46.08 Favored 'General case' 0 C--N 1.322 -0.602 0 C-N-CA 120.099 -0.64 . . . . 0.0 109.526 178.264 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.713 HD13 HG12 ' A' ' 58' ' ' VAL . 1.1 pt -130.24 176.59 8.27 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.735 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.103 -177.483 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.528 ' HB3' ' HB2' ' A' ' 29' ' ' GLU . 20.9 tptp -145.0 158.69 43.73 Favored 'General case' 0 C--N 1.318 -0.788 0 N-CA-C 109.221 -0.659 . . . . 0.0 109.221 -176.504 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.46 ' HG3' ' O ' ' A' ' 12' ' ' LYS . 84.6 tttt -60.93 121.48 12.48 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 109.692 -0.485 . . . . 0.0 109.692 175.118 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 7.9 t30 70.26 35.07 2.17 Favored 'General case' 0 N--CA 1.471 0.614 0 CA-C-O 121.64 0.733 . . . . 0.0 110.598 -179.534 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.528 ' HB2' ' HB3' ' A' ' 26' ' ' LYS . 9.7 tp10 -109.8 147.89 32.45 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.155 175.563 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.664 ' O ' HD13 ' A' ' 31' ' ' LEU . 2.6 ptp180 -94.61 140.42 29.89 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.51 -176.288 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.664 HD13 ' O ' ' A' ' 30' ' ' ARG . 2.2 mm? -128.5 165.46 20.67 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 176.579 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' TRP . . . . . 0.454 ' HB2' ' HB3' ' A' ' 44' ' ' ARG . 11.9 m-90 -105.17 116.35 31.81 Favored 'General case' 0 C--N 1.316 -0.869 0 N-CA-C 109.356 -0.609 . . . . 0.0 109.356 177.122 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.576 ' HA ' HG12 ' A' ' 43' ' ' VAL . 33.3 tp -91.58 121.75 33.54 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-O 121.304 0.573 . . . . 0.0 111.718 -172.278 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.569 HD23 ' HD2' ' A' ' 42' ' ' ARG . 1.6 mm? -99.55 -54.97 2.79 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.421 -0.809 . . . . 0.0 110.173 178.023 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 12.9 m-20 -133.23 129.63 37.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.425 -178.216 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' ASP . . . . . 0.54 ' HB3' HD21 ' A' ' 33' ' ' LEU . 12.4 p-10 -131.7 27.7 4.63 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.072 179.61 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 11.8 m -55.89 -47.32 77.63 Favored 'General case' 0 CA--C 1.535 0.401 0 CA-C-N 115.367 -0.833 . . . . 0.0 112.225 -175.466 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 21.6 mtmm -136.03 -163.68 1.44 Allowed 'General case' 0 CA--C 1.518 -0.259 0 O-C-N 122.323 -0.235 . . . . 0.0 110.7 -178.783 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.404 ' O ' ' HB2' ' A' ' 40' ' ' TRP . 2.6 p -60.28 141.98 55.32 Favored 'General case' 0 N--CA 1.45 -0.461 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.791 177.573 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' TRP . . . . . 0.55 ' HA ' ' O ' ' A' ' 53' ' ' VAL . 77.6 m95 70.45 90.99 0.09 Allowed 'General case' 0 N--CA 1.462 0.16 0 O-C-N 124.047 0.842 . . . . 0.0 110.499 -176.317 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' TRP . . . . . 0.442 ' O ' ' HA ' ' A' ' 52' ' ' PHE . 51.3 m0 -82.94 151.47 25.9 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.213 -0.903 . . . . 0.0 110.501 -176.067 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.569 ' HD2' HD23 ' A' ' 34' ' ' LEU . 0.6 OUTLIER -96.02 110.81 22.98 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 109.344 -0.613 . . . . 0.0 109.344 177.47 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.844 HG23 ' HG ' ' A' ' 23' ' ' LEU . 4.3 m -127.69 157.32 39.65 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.567 -177.277 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.454 ' HB3' ' HB2' ' A' ' 32' ' ' TRP . 17.1 ttm-85 -110.45 137.23 48.43 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.098 -0.955 . . . . 0.0 109.008 173.085 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' ASN . . . . . 0.537 ' HB2' HD11 ' A' ' 23' ' ' LEU . 26.7 t-20 -98.1 170.9 8.59 Favored 'General case' 0 C--N 1.317 -0.841 0 N-CA-C 109.399 -0.593 . . . . 0.0 109.399 175.88 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 32.4 t -67.59 -14.56 63.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.159 0.504 . . . . 0.0 110.445 -179.786 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' MET . . . . . 0.469 ' O ' ' HD2' ' A' ' 49' ' ' LYS . 14.1 tpt -75.66 -0.14 19.64 Favored 'General case' 0 CA--C 1.532 0.26 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.641 177.854 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 16.8 m120 77.09 4.69 3.29 Favored 'General case' 0 N--CA 1.469 0.498 0 C-N-CA 123.53 0.732 . . . . 0.0 112.074 174.832 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.469 ' HD2' ' O ' ' A' ' 47' ' ' MET . 1.4 mptp? -94.3 165.3 12.65 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.205 175.183 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' THR . . . . . 0.556 ' HA ' HD23 ' A' ' 23' ' ' LEU . 6.5 m -141.76 153.58 44.67 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.964 -0.562 . . . . 0.0 109.568 -177.023 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 178.77 -166.0 35.45 Favored Glycine 0 N--CA 1.446 -0.672 0 C-N-CA 120.816 -0.707 . . . . 0.0 111.919 -178.521 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.442 ' HA ' ' O ' ' A' ' 41' ' ' TRP . 99.1 m-85 -107.46 139.79 41.42 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 109.78 -0.452 . . . . 0.0 109.78 -179.921 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.55 ' O ' ' HA ' ' A' ' 40' ' ' TRP . 8.9 m -131.65 152.57 80.63 Favored Pre-proline 0 C--N 1.32 -0.713 0 CA-C-N 115.782 -0.644 . . . . 0.0 111.446 -178.148 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.5 ' HG2' ' HB2' ' A' ' 57' ' ' TYR . 28.2 Cg_endo -63.19 127.49 20.29 Favored 'Trans proline' 0 C--O 1.234 0.318 0 C-N-CA 123.001 2.467 . . . . 0.0 112.338 176.867 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 5.7 m -69.41 -10.24 57.11 Favored 'General case' 0 CA--C 1.534 0.364 0 CA-C-N 115.793 -0.64 . . . . 0.0 112.347 -174.926 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 81.4 m-20 -93.87 -5.79 47.21 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.84 0.352 . . . . 0.0 111.515 178.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' TYR . . . . . 0.5 ' HB2' ' HG2' ' A' ' 54' ' ' PRO . 42.1 m-85 -113.47 -33.36 5.92 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.968 0.413 . . . . 0.0 110.017 -178.327 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.713 HG12 HD13 ' A' ' 25' ' ' ILE . 25.0 m -108.4 143.19 19.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 N-CA-C 108.522 -0.918 . . . . 0.0 108.522 172.001 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.487 ' O ' ' HB ' ' A' ' 9' ' ' VAL . 47.8 mt-10 -142.56 162.21 36.07 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.56 0.695 . . . . 0.0 112.333 -175.32 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 13.9 mtp85 -85.2 175.18 9.11 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 114.768 -1.106 . . . . 0.0 110.592 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 2.9 mptm? -84.33 83.64 7.91 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 109.601 -0.518 . . . . 0.0 109.601 172.294 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 4.4 p-10 -75.87 167.83 21.15 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.725 -0.671 . . . . 0.0 110.456 -178.288 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 14.4 p . . . . . 0 C--O 1.25 1.101 0 CA-C-O 118.585 -0.722 . . . . 0.0 110.01 176.763 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.66 0 N-CA-C 112.106 -0.397 . . . . 0.0 112.106 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 43.0 t -152.25 -59.92 0.15 Allowed 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 110.048 -0.353 . . . . 0.0 110.048 177.172 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 1.9 mpt? 62.84 93.18 0.05 Allowed 'General case' 0 N--CA 1.464 0.258 0 O-C-N 123.726 0.641 . . . . 0.0 110.954 -178.85 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -97.71 156.02 16.74 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.896 178.224 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -79.44 97.44 6.39 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.112 -0.494 . . . . 0.0 109.82 179.028 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 35.4 mt-10 -101.07 120.53 40.34 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 109.345 -0.613 . . . . 0.0 109.345 176.335 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 17.6 m -65.02 124.01 19.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-O 121.655 0.741 . . . . 0.0 112.193 -173.871 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 24.1 t -90.1 136.63 23.34 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.7 0 CA-C-O 121.789 0.805 . . . . 0.0 110.965 177.205 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.755 ' HB ' ' HA ' ' A' ' 60' ' ' ARG . 32.0 m -112.66 179.21 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.311 -1.089 0 CA-C-N 114.572 -1.195 . . . . 0.0 108.421 177.51 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.514 ' O ' ' HB2' ' A' ' 59' ' ' GLU . 8.2 p -136.7 138.93 45.76 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.852 0 O-C-N 121.894 -0.504 . . . . 0.0 110.021 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.561 ' HB3' ' O ' ' A' ' 26' ' ' LYS . . . -78.85 146.07 33.86 Favored 'General case' 0 C--N 1.315 -0.902 0 CA-C-O 121.458 0.647 . . . . 0.0 112.217 -175.64 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.678 ' HB2' ' HG2' ' A' ' 59' ' ' GLU . 80.8 tttt -84.49 -51.76 6.66 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 114.993 -1.003 . . . . 0.0 110.173 -175.879 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 74.2 m-85 -138.48 161.17 37.7 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.096 179.523 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 0.404 ' OD1' ' HG3' ' A' ' 26' ' ' LYS . 24.9 m-20 -61.18 125.13 22.64 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.706 179.209 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' TYR . . . . . 0.558 ' HB3' HG13 ' A' ' 25' ' ' ILE . 33.7 t80 -129.5 111.43 12.75 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.018 -0.537 . . . . 0.0 109.923 173.814 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 46.3 t -84.66 131.48 33.93 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.658 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.115 179.051 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.538 ' HB1' ' HB2' ' A' ' 22' ' ' GLU . . . -92.04 175.21 6.95 Favored 'General case' 0 N--CA 1.448 -0.55 0 CA-C-N 116.009 -0.541 . . . . 0.0 109.729 179.87 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 71.3 mt-30 -82.54 -70.29 0.56 Allowed 'General case' 0 C--N 1.314 -0.945 0 C-N-CA 120.209 -0.597 . . . . 0.0 109.671 177.356 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' GLN . . . . . 0.655 ' HB2' ' HG2' ' A' ' 21' ' ' GLN . 32.2 mm-40 -128.05 -177.22 4.05 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.603 -0.726 . . . . 0.0 109.673 -178.109 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.505 ' HB3' ' HD2' ' A' ' 49' ' ' LYS . 8.0 mp0 -70.8 -8.29 51.41 Favored 'General case' 0 C--N 1.329 -0.289 0 O-C-N 123.41 0.444 . . . . 0.0 111.352 -178.882 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.655 ' HG2' ' HB2' ' A' ' 19' ' ' GLN . 9.1 pt20 -73.2 -26.23 61.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.87 -0.605 . . . . 0.0 109.713 173.581 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.538 ' HB2' ' HB1' ' A' ' 17' ' ' ALA . 7.2 mm-40 -96.33 -179.33 4.6 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 107.786 -1.19 . . . . 0.0 107.786 177.578 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.878 ' HG ' HG23 ' A' ' 43' ' ' VAL . 0.6 OUTLIER -113.4 127.58 56.17 Favored 'General case' 0 C--N 1.32 -0.705 0 C-N-CA 119.707 -0.797 . . . . 0.0 109.149 176.012 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -102.95 125.5 49.73 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 109.522 -0.547 . . . . 0.0 109.522 179.292 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.711 HD13 HG12 ' A' ' 58' ' ' VAL . 1.5 pp -127.32 148.99 32.02 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-O 121.231 0.539 . . . . 0.0 110.734 -176.629 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.561 ' O ' ' HB3' ' A' ' 11' ' ' ALA . 0.0 OUTLIER -112.47 159.91 18.29 Favored 'General case' 0 C--N 1.313 -1.0 0 CA-C-O 120.988 0.423 . . . . 0.0 110.964 -178.882 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 5.2 ttpm? -63.41 130.3 43.86 Favored 'General case' 0 C--N 1.312 -1.027 0 N-CA-C 109.446 -0.576 . . . . 0.0 109.446 174.132 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 12.5 t30 70.13 14.57 7.7 Favored 'General case' 0 N--CA 1.47 0.567 0 CA-C-O 121.535 0.683 . . . . 0.0 110.698 179.259 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.522 ' HB2' ' HB3' ' A' ' 26' ' ' LYS . 34.9 tt0 -92.76 137.29 32.49 Favored 'General case' 0 C--N 1.328 -0.363 0 O-C-N 121.897 -0.502 . . . . 0.0 109.694 -177.689 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.478 ' O ' HD13 ' A' ' 31' ' ' LEU . 2.3 ptp85 -87.42 125.05 34.04 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-O 120.845 0.355 . . . . 0.0 110.525 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.546 HD12 ' HA ' ' A' ' 45' ' ' ASN . 1.2 mm? -118.11 165.58 13.6 Favored 'General case' 0 C--N 1.318 -0.766 0 N-CA-C 109.814 -0.439 . . . . 0.0 109.814 179.063 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' TRP . . . . . 0.443 ' HE3' ' O ' ' A' ' 44' ' ' ARG . 22.0 m-90 -101.62 122.49 43.97 Favored 'General case' 0 C--N 1.317 -0.805 0 N-CA-C 109.807 -0.442 . . . . 0.0 109.807 178.046 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.593 ' HA ' HG12 ' A' ' 43' ' ' VAL . 36.5 tp -96.99 118.67 33.92 Favored 'General case' 0 C--N 1.321 -0.63 0 CA-C-O 120.911 0.386 . . . . 0.0 110.849 -175.231 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -101.15 -52.94 3.14 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.333 -178.643 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' ASP . . . . . 0.592 ' HB3' ' HB3' ' A' ' 42' ' ' ARG . 28.6 t70 -118.77 133.06 56.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.058 0.456 . . . . 0.0 111.848 -175.372 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 4.3 t0 -139.94 80.59 1.77 Allowed 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 114.856 -1.065 . . . . 0.0 108.222 174.795 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 19.5 p -114.69 -48.55 2.85 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.532 -0.758 . . . . 0.0 111.858 -177.641 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 13.3 mmmm -149.62 92.52 1.93 Allowed 'General case' 0 N--CA 1.466 0.339 0 N-CA-C 112.531 0.567 . . . . 0.0 112.531 -176.373 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 17.9 m 69.57 -73.23 0.09 Allowed 'General case' 0 N--CA 1.468 0.46 0 N-CA-C 113.191 0.811 . . . . 0.0 113.191 168.521 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -77.87 115.63 17.76 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 109.813 -0.44 . . . . 0.0 109.813 -176.16 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 16.5 m0 -86.67 137.91 32.08 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.004 -0.543 . . . . 0.0 112.195 -175.002 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.592 ' HB3' ' HB3' ' A' ' 35' ' ' ASP . 21.4 ttm180 -95.25 110.49 22.47 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.38 -0.827 . . . . 0.0 109.127 175.691 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.878 HG23 ' HG ' ' A' ' 23' ' ' LEU . 8.5 m -128.51 167.4 23.78 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.748 0 CA-C-O 121.408 0.623 . . . . 0.0 111.705 -175.183 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.443 ' O ' ' HE3' ' A' ' 32' ' ' TRP . 49.7 ttp180 -123.94 129.09 50.39 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 114.779 -1.101 . . . . 0.0 108.507 174.143 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' ASN . . . . . 0.546 ' HA ' HD12 ' A' ' 31' ' ' LEU . 32.4 p30 -91.74 -176.92 4.61 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 121.196 0.522 . . . . 0.0 111.562 -178.24 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 4.8 p -67.54 -15.32 63.6 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.399 -0.818 . . . . 0.0 111.707 -177.431 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 11.2 tpt -91.0 8.93 32.86 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.288 0.566 . . . . 0.0 110.066 178.946 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 28.8 m-80 62.45 30.97 17.32 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-N 115.462 -0.79 . . . . 0.0 111.243 173.592 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.505 ' HD2' ' HB3' ' A' ' 20' ' ' GLU . 24.2 mmtm -106.17 167.8 9.57 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 109.216 -0.661 . . . . 0.0 109.216 175.702 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' THR . . . . . 0.519 ' HA ' HD23 ' A' ' 23' ' ' LEU . 2.8 m -137.96 150.12 46.75 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.085 0.469 . . . . 0.0 111.285 -176.326 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 178.73 -157.45 21.06 Favored Glycine 0 N--CA 1.444 -0.822 0 N-CA-C 110.697 -0.961 . . . . 0.0 110.697 -178.938 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 96.9 m-85 -122.53 139.26 54.09 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 117.036 0.418 . . . . 0.0 110.499 -179.824 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.542 HG13 ' HB3' ' A' ' 23' ' ' LEU . 30.8 m -126.03 152.91 73.76 Favored Pre-proline 0 C--N 1.326 -0.418 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.995 -178.229 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.562 ' O ' HG22 ' A' ' 58' ' ' VAL . 66.8 Cg_endo -71.88 124.93 10.55 Favored 'Trans proline' 0 CA--C 1.529 0.241 0 C-N-CA 123.323 2.682 . . . . 0.0 112.235 179.3 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 15.2 p -66.22 -11.52 50.47 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 112.496 0.554 . . . . 0.0 112.496 -175.221 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 64.5 t30 -86.31 -22.11 26.92 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.956 0.408 . . . . 0.0 110.685 179.37 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' TYR . . . . . 0.56 ' HB2' ' HG2' ' A' ' 54' ' ' PRO . 80.1 m-85 -105.09 -9.99 17.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.883 0.373 . . . . 0.0 111.0 -178.316 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.711 HG12 HD13 ' A' ' 25' ' ' ILE . 35.3 m -121.39 156.26 25.27 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.71 0 CA-C-O 120.894 0.378 . . . . 0.0 110.573 177.174 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.678 ' HG2' ' HB2' ' A' ' 12' ' ' LYS . 33.9 mm-40 -128.78 162.34 27.65 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 115.759 -0.655 . . . . 0.0 109.778 178.925 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' ARG . . . . . 0.755 ' HA ' ' HB ' ' A' ' 9' ' ' VAL . 12.7 ptt180 -106.47 173.18 6.43 Favored 'General case' 0 C--N 1.312 -1.037 0 N-CA-C 108.554 -0.906 . . . . 0.0 108.554 171.827 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.439 ' HB2' ' HE3' ' A' ' 61' ' ' LYS . 19.6 ptmt -58.25 118.63 5.71 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 109.717 -0.475 . . . . 0.0 109.717 179.207 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 81.5 m-20 -70.33 106.76 3.48 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.511 0.672 . . . . 0.0 111.124 -175.071 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 57.3 m . . . . . 0 C--O 1.248 0.999 0 CA-C-N 114.936 -1.029 . . . . 0.0 109.145 177.279 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.692 0 N-CA-C 112.095 -0.402 . . . . 0.0 112.095 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 13.8 p 47.8 60.36 3.59 Favored 'General case' 0 C--O 1.235 0.325 0 C-N-CA 123.439 0.696 . . . . 0.0 112.066 179.827 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 27.4 ttt -111.06 -15.89 13.62 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.502 0.668 . . . . 0.0 109.451 177.594 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -96.17 -165.25 1.25 Allowed 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.386 -0.825 . . . . 0.0 109.869 176.158 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -108.71 91.86 3.82 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 121.473 0.654 . . . . 0.0 110.387 176.833 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -71.34 172.5 9.29 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.199 -0.909 . . . . 0.0 110.996 178.653 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 47.6 t -74.42 96.75 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.633 -178.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 87.7 t -87.09 135.37 25.38 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-O 121.34 0.591 . . . . 0.0 110.714 177.337 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.424 HG23 ' HB2' ' A' ' 31' ' ' LEU . 4.9 m -113.4 -175.16 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.313 -1.021 0 CA-C-N 114.839 -1.073 . . . . 0.0 109.536 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 10.0 p -140.6 160.26 24.49 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.852 0 N-CA-C 109.508 -0.552 . . . . 0.0 109.508 178.866 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.444 ' HB3' ' O ' ' A' ' 26' ' ' LYS . . . -101.92 146.03 28.41 Favored 'General case' 0 C--N 1.312 -1.047 0 CA-C-O 120.764 0.316 . . . . 0.0 111.415 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.484 ' O ' ' HG3' ' A' ' 27' ' ' LYS . 0.4 OUTLIER -92.43 -37.08 12.76 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.546 178.941 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 70.6 m-85 -138.59 151.61 47.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.654 0.264 . . . . 0.0 111.33 -179.133 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -52.02 126.04 17.26 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.67 -0.696 . . . . 0.0 111.383 170.314 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' TYR . . . . . 0.6 ' HB3' ' CG1' ' A' ' 25' ' ' ILE . 7.4 t80 -129.73 110.94 12.17 Favored 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 109.481 -0.562 . . . . 0.0 109.481 171.632 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 50.5 t -87.45 130.35 37.38 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.676 0 CA-C-N 115.524 -0.762 . . . . 0.0 109.823 178.961 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.455 ' HB1' ' HB2' ' A' ' 22' ' ' GLU . . . -91.78 145.29 24.69 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 115.766 -0.652 . . . . 0.0 109.317 -179.757 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 14.7 mt-30 -65.69 -46.95 77.12 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 120.874 0.368 . . . . 0.0 110.832 -176.91 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 11.5 mm100 -136.3 165.38 25.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.049 176.011 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 6.9 mp0 -70.85 -3.4 18.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.769 -174.838 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.404 ' HG3' ' HG2' ' A' ' 22' ' ' GLU . 13.9 pt20 -71.2 -17.29 62.53 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.536 0.684 . . . . 0.0 109.668 173.95 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.455 ' HB2' ' HB1' ' A' ' 17' ' ' ALA . 7.3 mm-40 -107.81 -178.78 3.71 Favored 'General case' 0 N--CA 1.448 -0.552 0 CA-C-N 114.88 -1.055 . . . . 0.0 108.962 178.155 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.798 HD11 ' HB3' ' A' ' 45' ' ' ASN . 0.6 OUTLIER -104.77 128.78 53.02 Favored 'General case' 0 C--N 1.321 -0.652 0 C-N-CA 120.351 -0.54 . . . . 0.0 109.891 -177.944 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -104.26 124.17 48.67 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 109.955 -0.387 . . . . 0.0 109.955 179.704 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.681 HD13 HG12 ' A' ' 58' ' ' VAL . 1.1 pt -126.84 169.15 18.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 121.372 0.606 . . . . 0.0 111.897 -174.807 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.552 ' HB3' ' HB2' ' A' ' 29' ' ' GLU . 54.5 tptt -133.63 151.03 51.59 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.348 -0.842 . . . . 0.0 109.24 -174.947 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.484 ' HG3' ' O ' ' A' ' 12' ' ' LYS . 84.8 tttt -58.72 128.25 36.28 Favored 'General case' 0 C--O 1.235 0.322 0 CA-C-N 117.984 0.356 . . . . 0.0 110.176 177.483 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 64.2 t30 68.58 20.34 8.39 Favored 'General case' 0 N--CA 1.469 0.488 0 CA-C-N 115.767 -0.651 . . . . 0.0 111.189 178.575 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.552 ' HB2' ' HB3' ' A' ' 26' ' ' LYS . 10.1 tp10 -93.6 148.5 22.04 Favored 'General case' 0 C--N 1.328 -0.357 0 O-C-N 121.887 -0.508 . . . . 0.0 109.638 174.808 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.619 ' O ' HD13 ' A' ' 31' ' ' LEU . 5.8 ptp180 -91.76 136.46 33.13 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.017 -177.167 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.619 HD13 ' O ' ' A' ' 30' ' ' ARG . 1.9 mm? -123.7 166.38 15.63 Favored 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 109.522 -0.547 . . . . 0.0 109.522 175.143 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' TRP . . . . . 0.406 ' HE3' ' O ' ' A' ' 44' ' ' ARG . 20.2 m-90 -107.59 117.68 34.74 Favored 'General case' 0 C--N 1.314 -0.961 0 N-CA-C 109.407 -0.59 . . . . 0.0 109.407 176.202 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.559 ' HA ' HG12 ' A' ' 43' ' ' VAL . 41.5 tp -92.57 114.46 27.02 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-O 120.979 0.419 . . . . 0.0 111.047 -173.642 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -99.64 -30.35 12.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.421 -179.726 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -157.93 140.69 14.8 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.749 -0.66 . . . . 0.0 110.356 -175.843 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' ASP . . . . . 0.448 ' HB3' HD11 ' A' ' 33' ' ' LEU . 17.7 p-10 -145.56 87.33 1.78 Allowed 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 122.144 0.973 . . . . 0.0 109.231 178.374 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 16.4 p -57.52 -48.21 79.89 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 114.743 -1.117 . . . . 0.0 111.46 -179.515 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.417 ' HB3' ' HE2' ' A' ' 38' ' ' LYS . 36.0 ttpt -179.5 -74.76 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.322 179.2 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 13.2 m -97.05 -31.1 12.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.552 -176.146 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 13.3 m95 -107.53 110.79 22.8 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.116 179.737 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' TRP . . . . . 0.492 ' CH2' ' HG3' ' A' ' 60' ' ' ARG . 24.1 m0 -95.94 146.65 24.43 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.652 -175.777 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 5.0 ttm180 -108.46 111.46 23.36 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.113 -0.494 . . . . 0.0 109.875 -179.606 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.741 HG23 ' HG ' ' A' ' 23' ' ' LEU . 5.8 m -133.47 157.73 42.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-O 121.573 0.701 . . . . 0.0 112.468 -174.674 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.406 ' O ' ' HE3' ' A' ' 32' ' ' TRP . 47.6 ttt-85 -108.74 136.45 48.28 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 114.785 -1.098 . . . . 0.0 108.29 170.328 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' ASN . . . . . 0.798 ' HB3' HD11 ' A' ' 23' ' ' LEU . 35.9 p-10 -107.69 177.42 4.83 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-O 120.792 0.329 . . . . 0.0 111.019 -178.488 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 8.7 m -66.78 -11.92 56.81 Favored 'General case' 0 CA--C 1.533 0.305 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.502 -178.372 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 41.3 ttp -93.19 20.81 6.52 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.177 0.513 . . . . 0.0 109.798 179.43 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 9.0 p30 49.8 26.26 1.84 Allowed 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 124.553 1.141 . . . . 0.0 113.369 174.748 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 32.2 mmtp -106.88 167.94 9.54 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 109.47 -0.567 . . . . 0.0 109.47 175.106 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' THR . . . . . 0.558 ' HA ' HD23 ' A' ' 23' ' ' LEU . 3.9 m -141.83 151.94 43.22 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 120.912 0.387 . . . . 0.0 110.522 179.598 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 176.07 -160.2 28.0 Favored Glycine 0 N--CA 1.445 -0.706 0 N-CA-C 111.201 -0.76 . . . . 0.0 111.201 -178.388 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.473 ' HA ' ' O ' ' A' ' 41' ' ' TRP . 94.6 m-85 -112.29 143.27 43.66 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 120.971 0.415 . . . . 0.0 110.672 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.508 HG13 ' HB3' ' A' ' 23' ' ' LEU . 15.8 m -128.31 151.65 76.76 Favored Pre-proline 0 C--N 1.322 -0.624 0 CA-C-N 115.494 -0.775 . . . . 0.0 111.761 -179.009 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.712 ' HG2' ' HB2' ' A' ' 57' ' ' TYR . 42.9 Cg_endo -68.09 133.25 28.28 Favored 'Trans proline' 0 C--O 1.234 0.286 0 C-N-CA 123.607 2.872 . . . . 0.0 112.765 176.958 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 47.0 t -68.54 -11.48 59.97 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.566 -179.392 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 18.0 m120 -86.46 -24.7 25.53 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.788 0.328 . . . . 0.0 110.984 179.427 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' TYR . . . . . 0.712 ' HB2' ' HG2' ' A' ' 54' ' ' PRO . 41.6 m-85 -98.82 -25.63 14.57 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.501 -0.318 . . . . 0.0 111.036 -177.214 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.681 HG12 HD13 ' A' ' 25' ' ' ILE . 15.9 m -110.14 166.68 5.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 N-CA-C 109.583 -0.525 . . . . 0.0 109.583 177.498 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -154.7 161.21 41.64 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.278 0.561 . . . . 0.0 112.061 -177.618 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' ARG . . . . . 0.492 ' HG3' ' CH2' ' A' ' 41' ' ' TRP . 54.8 mtt180 -83.79 113.37 20.86 Favored 'General case' 0 CA--C 1.514 -0.44 0 N-CA-C 108.431 -0.952 . . . . 0.0 108.431 168.583 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.73 138.52 52.91 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 116.247 -0.433 . . . . 0.0 109.894 -179.898 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 52.4 m-80 -111.84 -40.49 4.26 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 120.887 0.375 . . . . 0.0 110.401 179.753 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 15.7 m . . . . . 0 C--O 1.247 0.936 0 CA-C-O 118.675 -0.679 . . . . 0.0 109.275 176.927 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.806 0 N-CA-C 112.343 -0.303 . . . . 0.0 112.343 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 21.0 p -175.2 -171.22 0.49 Allowed 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 108.702 -0.851 . . . . 0.0 108.702 179.734 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 11.9 tpt -63.83 98.71 0.21 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.017 0.436 . . . . 0.0 109.852 172.6 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -163.27 145.64 10.06 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.002 -179.792 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 50.3 mt-10 -103.2 107.19 17.91 Favored 'General case' 0 C--N 1.319 -0.725 0 N-CA-C 109.741 -0.466 . . . . 0.0 109.741 175.236 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 43.1 mm-40 -66.05 137.84 57.36 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 109.287 -0.634 . . . . 0.0 109.287 178.674 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 13.8 m -63.91 116.55 3.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-O 121.522 0.677 . . . . 0.0 111.679 -175.118 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 42.4 t -95.29 137.95 22.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-N 115.632 -0.713 . . . . 0.0 111.311 -178.233 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.708 ' HB ' ' O ' ' A' ' 59' ' ' GLU . 25.6 m -114.14 179.17 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.791 0 CA-C-N 114.787 -1.097 . . . . 0.0 108.9 177.054 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 11.9 p -140.63 145.85 25.06 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.797 0 N-CA-C 109.913 -0.403 . . . . 0.0 109.913 -178.72 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -87.41 145.84 26.12 Favored 'General case' 0 C--N 1.316 -0.864 0 CA-C-O 120.97 0.414 . . . . 0.0 111.957 -176.142 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.569 ' HD3' ' CD ' ' A' ' 59' ' ' GLU . 39.1 tptt -88.71 -43.9 10.97 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.798 -0.637 . . . . 0.0 109.956 -179.576 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.451 ' HB2' ' HD2' ' A' ' 57' ' ' TYR . 96.9 m-85 -135.85 164.73 27.26 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.683 -0.689 . . . . 0.0 110.182 179.909 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 13.1 m-20 -67.84 132.36 47.24 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.75 177.172 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' TYR . . . . . 0.542 ' HB3' ' CG1' ' A' ' 25' ' ' ILE . 10.3 t80 -135.81 111.6 9.42 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.096 0.474 . . . . 0.0 110.054 174.004 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 44.2 t -90.75 128.96 42.28 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 CA-C-N 115.905 -0.589 . . . . 0.0 109.815 178.874 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.545 ' HB1' ' HB2' ' A' ' 22' ' ' GLU . . . -81.32 137.78 35.74 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 109.516 -0.55 . . . . 0.0 109.516 -178.265 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 98.9 mt-30 -73.55 -29.72 62.61 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.254 0.549 . . . . 0.0 110.847 -177.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' GLN . . . . . 0.504 ' HB3' ' HG2' ' A' ' 21' ' ' GLN . 0.3 OUTLIER -139.09 156.38 47.21 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.605 -0.725 . . . . 0.0 109.526 174.975 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 -71.21 -3.2 18.97 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.904 0.383 . . . . 0.0 111.356 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.504 ' HG2' ' HB3' ' A' ' 19' ' ' GLN . 10.8 pt20 -70.72 -21.38 62.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.6 0.714 . . . . 0.0 109.295 172.699 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.545 ' HB2' ' HB1' ' A' ' 17' ' ' ALA . 6.6 mm-40 -101.44 -179.25 3.97 Favored 'General case' 0 N--CA 1.448 -0.537 0 CA-C-N 114.867 -1.06 . . . . 0.0 108.608 179.671 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.676 HD23 ' HA ' ' A' ' 50' ' ' THR . 0.6 OUTLIER -106.2 128.44 53.94 Favored 'General case' 0 C--N 1.32 -0.702 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 179.156 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -96.28 133.58 40.45 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 109.385 -0.598 . . . . 0.0 109.385 178.207 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.689 HD13 HG12 ' A' ' 58' ' ' VAL . 1.0 OUTLIER -134.11 160.14 41.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-O 121.234 0.54 . . . . 0.0 111.134 -177.376 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.549 ' HB3' ' HB2' ' A' ' 29' ' ' GLU . 4.5 tppp? -121.77 152.96 38.9 Favored 'General case' 0 C--N 1.32 -0.692 0 N-CA-C 108.8 -0.815 . . . . 0.0 108.8 -177.491 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 55.6 tttp -59.59 130.56 47.42 Favored 'General case' 0 C--N 1.326 -0.43 0 C-N-CA 120.896 -0.322 . . . . 0.0 110.411 178.589 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 4.8 t30 68.93 15.7 8.86 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.99 177.44 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.549 ' HB2' ' HB3' ' A' ' 26' ' ' LYS . 8.9 tp10 -94.26 152.31 18.78 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 122.019 -0.425 . . . . 0.0 110.243 -179.437 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.647 ' O ' HD13 ' A' ' 31' ' ' LEU . 6.3 ptp180 -91.15 140.9 29.38 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.421 -177.285 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.647 HD13 ' O ' ' A' ' 30' ' ' ARG . 2.2 mm? -127.45 168.64 14.61 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 109.223 -0.658 . . . . 0.0 109.223 175.018 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 20.3 m-90 -105.0 123.83 48.48 Favored 'General case' 0 C--N 1.315 -0.917 0 N-CA-C 109.566 -0.531 . . . . 0.0 109.566 174.779 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.555 ' HA ' HG12 ' A' ' 43' ' ' VAL . 37.5 tp -97.11 127.06 42.72 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 120.994 0.425 . . . . 0.0 111.282 -175.232 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -108.33 -39.31 5.49 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.362 179.455 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -155.87 134.77 11.97 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.464 -0.335 . . . . 0.0 110.457 -176.163 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 14.8 p-10 -113.34 74.41 0.86 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 122.526 1.155 . . . . 0.0 109.412 178.583 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' SER . . . . . 0.464 ' O ' ' HB3' ' A' ' 38' ' ' LYS . 1.4 p -65.91 5.09 0.53 Allowed 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 113.747 -1.57 . . . . 0.0 113.682 -179.193 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.464 ' HB3' ' O ' ' A' ' 37' ' ' SER . 38.1 ttpt 76.37 -62.6 0.42 Allowed 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 123.085 0.554 . . . . 0.0 111.15 179.47 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.473 ' O ' ' HB2' ' A' ' 40' ' ' TRP . 9.1 p -80.11 88.13 5.44 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 109.355 -0.609 . . . . 0.0 109.355 175.847 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' TRP . . . . . 0.637 ' HB3' ' HB3' ' A' ' 52' ' ' PHE . 38.4 m0 71.28 133.97 0.04 OUTLIER 'General case' 0 C--O 1.231 0.083 0 CA-C-N 115.024 -0.989 . . . . 0.0 110.352 -171.24 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 46.1 m0 -98.97 146.86 25.58 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.373 -179.771 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 13.9 ttm-85 -93.43 107.77 19.55 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.291 178.081 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.567 HG23 ' HG ' ' A' ' 23' ' ' LEU . 5.0 m -131.95 170.89 18.97 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-N 115.74 -0.663 . . . . 0.0 111.619 -178.542 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.515 ' HG3' ' O ' ' A' ' 49' ' ' LYS . 16.3 ttm180 -136.62 131.44 33.71 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.171 -0.922 . . . . 0.0 109.964 176.942 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' ASN . . . . . 0.549 ' HB2' HD11 ' A' ' 23' ' ' LEU . 21.1 t-20 -93.68 177.43 6.01 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 108.624 -0.88 . . . . 0.0 108.624 175.782 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 18.2 p -70.23 -7.76 44.72 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.999 0.428 . . . . 0.0 111.208 179.591 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 15.3 tpt -73.65 -2.56 23.62 Favored 'General case' 0 CA--C 1.532 0.277 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.717 178.878 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 28.6 m-80 74.04 -6.36 1.85 Allowed 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 123.489 0.715 . . . . 0.0 111.767 174.809 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.515 ' O ' ' HG3' ' A' ' 44' ' ' ARG . 31.1 mmtp -82.85 165.96 19.36 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 109.526 -0.546 . . . . 0.0 109.526 175.164 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' THR . . . . . 0.676 ' HA ' HD23 ' A' ' 23' ' ' LEU . 4.5 m -143.08 154.88 44.4 Favored 'General case' 0 C--N 1.32 -0.704 0 N-CA-C 109.336 -0.616 . . . . 0.0 109.336 -177.568 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 173.07 -147.54 9.75 Favored Glycine 0 N--CA 1.444 -0.831 0 C-N-CA 120.525 -0.845 . . . . 0.0 112.331 -178.578 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.637 ' HB3' ' HB3' ' A' ' 40' ' ' TRP . 76.9 m-85 -119.46 146.92 44.98 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 120.575 0.226 . . . . 0.0 110.888 -176.236 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.45 HG13 ' HB3' ' A' ' 23' ' ' LEU . 29.7 m -132.56 151.73 78.71 Favored Pre-proline 0 C--N 1.325 -0.468 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.112 177.426 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.668 ' HG2' ' HB2' ' A' ' 57' ' ' TYR . 52.8 Cg_endo -69.25 123.08 9.9 Favored 'Trans proline' 0 C--N 1.345 0.394 0 C-N-CA 123.401 2.734 . . . . 0.0 112.444 177.443 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 6.2 p -64.78 -20.62 66.47 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 112.577 0.584 . . . . 0.0 112.577 -175.841 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 95.2 m-20 -84.46 -8.88 58.81 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.572 0.225 . . . . 0.0 111.248 -179.779 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' TYR . . . . . 0.668 ' HB2' ' HG2' ' A' ' 54' ' ' PRO . 69.5 m-85 -114.43 -4.78 12.89 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.772 0.32 . . . . 0.0 110.871 -178.349 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.689 HG12 HD13 ' A' ' 25' ' ' ILE . 27.8 m -128.51 163.03 34.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.387 -0.369 . . . . 0.0 110.414 -179.359 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.708 ' O ' ' HB ' ' A' ' 9' ' ' VAL . 56.0 mt-10 -134.63 165.9 24.15 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.213 0.53 . . . . 0.0 110.765 177.671 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' ARG . . . . . 0.48 ' HA ' HG12 ' A' ' 9' ' ' VAL . 13.7 ptm180 -129.1 -176.31 3.83 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.305 -0.861 . . . . 0.0 109.101 173.138 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 33.5 mmtp -76.32 127.25 32.5 Favored 'General case' 0 C--N 1.319 -0.724 0 N-CA-C 108.134 -1.061 . . . . 0.0 108.134 170.791 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 16.9 p-10 -78.34 76.08 4.85 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.888 0.851 . . . . 0.0 110.792 -176.367 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 29.4 p . . . . . 0 C--O 1.248 0.987 0 CA-C-N 114.557 -1.201 . . . . 0.0 109.097 -179.125 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.663 0 N-CA-C 111.5 -0.64 . . . . 0.0 111.5 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 11.6 p -64.79 113.22 3.65 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.579 0.228 . . . . 0.0 111.174 -178.518 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 48.6 ttp 70.55 -60.7 0.49 Allowed 'General case' 0 CA--C 1.534 0.347 0 CA-C-N 115.586 -0.734 . . . . 0.0 112.646 175.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -105.6 147.16 28.74 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.036 0.446 . . . . 0.0 112.121 -173.165 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 28.5 tt0 -74.48 147.98 41.42 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.324 -0.853 . . . . 0.0 110.178 175.818 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 31.7 mt-10 -75.16 142.55 43.52 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.469 -0.332 . . . . 0.0 110.244 178.354 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 27.0 m -90.15 147.93 4.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-O 120.93 0.395 . . . . 0.0 111.347 -177.796 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 41.0 t -124.4 141.88 43.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-O 121.632 0.729 . . . . 0.0 111.585 -177.853 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.436 ' CG1' ' HB3' ' A' ' 60' ' ' ARG . 30.8 m -118.88 -178.58 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 CA-C-N 114.541 -1.208 . . . . 0.0 108.92 178.116 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 12.2 p -140.87 141.07 32.28 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.76 0 C-N-CA 120.423 -0.511 . . . . 0.0 111.009 -178.228 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -82.26 145.79 29.82 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.532 -178.529 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.659 ' HB2' ' HG2' ' A' ' 59' ' ' GLU . 68.3 tttt -86.85 -52.19 5.63 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.48 -0.782 . . . . 0.0 109.628 -178.873 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.417 ' HB2' ' HD2' ' A' ' 57' ' ' TYR . 72.6 m-85 -132.87 165.9 23.57 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.597 -0.729 . . . . 0.0 109.597 177.772 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 0.463 ' HB3' ' HD2' ' A' ' 26' ' ' LYS . 0.7 OUTLIER -75.73 139.07 41.67 Favored 'General case' 0 N--CA 1.447 -0.577 0 CA-C-O 121.377 0.608 . . . . 0.0 112.12 -178.139 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 15' ' ' TYR . . . . . 0.55 ' HB3' HG13 ' A' ' 25' ' ' ILE . 11.1 t80 -137.16 112.97 9.56 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 114.99 -1.005 . . . . 0.0 110.756 -178.893 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 54.0 t -85.88 135.58 24.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-N 116.168 -0.469 . . . . 0.0 109.966 176.483 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.543 ' HB1' ' HB2' ' A' ' 22' ' ' GLU . . . -105.81 160.29 15.35 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.175 -176.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 77.1 mt-30 -67.57 -65.58 0.67 Allowed 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.871 0.367 . . . . 0.0 110.73 -179.726 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' GLN . . . . . 0.587 ' HB2' ' HG2' ' A' ' 21' ' ' GLN . 44.6 mt-30 -122.39 166.9 13.99 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 109.101 -0.703 . . . . 0.0 109.101 176.775 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.984 ' HB2' ' HD3' ' A' ' 49' ' ' LYS . 1.2 pm0 -72.98 -1.51 17.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.719 0.295 . . . . 0.0 111.793 178.638 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.587 ' HG2' ' HB2' ' A' ' 19' ' ' GLN . 10.1 pt20 -64.1 -26.59 68.61 Favored 'General case' 0 C--N 1.333 -0.132 0 CA-C-O 121.908 0.861 . . . . 0.0 108.717 167.286 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.543 ' HB2' ' HB1' ' A' ' 17' ' ' ALA . 20.0 mm-40 -92.03 -179.21 5.22 Favored 'General case' 0 N--CA 1.446 -0.658 0 N-CA-C 107.363 -1.347 . . . . 0.0 107.363 174.145 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.839 ' HG ' HG23 ' A' ' 43' ' ' VAL . 0.6 OUTLIER -110.93 127.88 55.62 Favored 'General case' 0 C--N 1.316 -0.862 0 C-N-CA 119.584 -0.846 . . . . 0.0 109.225 175.868 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 6.5 p-10 -99.25 133.62 43.28 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 109.753 -0.462 . . . . 0.0 109.753 177.645 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.778 HD13 HG12 ' A' ' 58' ' ' VAL . 1.1 pt -135.73 159.8 39.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-O 121.237 0.542 . . . . 0.0 111.199 -176.276 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.463 ' HD2' ' HB3' ' A' ' 14' ' ' ASP . 53.7 tptt -124.43 158.28 33.15 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 109.501 -0.555 . . . . 0.0 109.501 -178.25 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -57.45 124.77 20.12 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.522 0.201 . . . . 0.0 110.802 177.167 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 66.3 t30 68.34 25.55 7.01 Favored 'General case' 0 N--CA 1.467 0.375 0 O-C-N 123.902 0.751 . . . . 0.0 110.742 178.725 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.414 ' HB2' ' HB3' ' A' ' 26' ' ' LYS . 8.2 tp10 -91.34 144.77 25.24 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.08 177.883 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.448 ' O ' HD13 ' A' ' 31' ' ' LEU . 16.7 ptt-85 -93.86 126.11 38.87 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-O 120.871 0.367 . . . . 0.0 110.412 -179.177 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.448 HD13 ' O ' ' A' ' 30' ' ' ARG . 1.4 mm? -118.52 168.61 10.51 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 109.973 -0.38 . . . . 0.0 109.973 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 12.1 m-90 -104.4 122.0 44.57 Favored 'General case' 0 C--N 1.319 -0.747 0 N-CA-C 109.682 -0.488 . . . . 0.0 109.682 175.392 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.54 HD21 ' HB3' ' A' ' 36' ' ' ASP . 45.5 tp -95.9 129.98 43.0 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 120.926 0.393 . . . . 0.0 111.31 -175.358 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -108.06 -46.7 3.7 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.831 -0.622 . . . . 0.0 109.954 177.77 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' ASP . . . . . 0.491 ' HB2' ' HB3' ' A' ' 42' ' ' ARG . 7.7 m-20 -141.67 133.71 27.59 Favored 'General case' 0 N--CA 1.467 0.376 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.715 -177.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' ASP . . . . . 0.54 ' HB3' HD21 ' A' ' 33' ' ' LEU . 6.8 p-10 -128.53 19.76 6.21 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.074 0.464 . . . . 0.0 110.813 179.54 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 5.7 p -84.49 3.3 37.05 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 112.547 0.573 . . . . 0.0 112.547 -173.42 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.592 ' HA ' ' HE2' ' A' ' 38' ' ' LYS . 5.4 mmpt? -126.15 175.59 7.66 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 122.067 -0.395 . . . . 0.0 111.319 -178.682 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 3.2 m -61.66 -40.25 94.26 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-O 121.593 0.711 . . . . 0.0 109.544 174.683 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' TRP . . . . . 0.546 ' HB3' ' HB3' ' A' ' 52' ' ' PHE . 13.2 m0 -92.78 132.17 37.2 Favored 'General case' 0 N--CA 1.448 -0.554 0 CA-C-N 114.833 -1.076 . . . . 0.0 109.665 171.804 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' TRP . . . . . 0.447 ' CZ3' ' HG3' ' A' ' 60' ' ' ARG . 50.2 m0 -96.31 137.33 35.55 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-O 121.003 0.43 . . . . 0.0 110.736 179.122 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.491 ' HB3' ' HB2' ' A' ' 35' ' ' ASP . 16.1 tpp85 -86.41 108.43 18.48 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.578 -0.737 . . . . 0.0 109.59 178.954 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.839 HG23 ' HG ' ' A' ' 23' ' ' LEU . 6.4 m -132.45 162.12 40.31 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.681 0 CA-C-O 121.446 0.641 . . . . 0.0 111.647 -177.624 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.448 ' HG2' ' O ' ' A' ' 49' ' ' LYS . 0.4 OUTLIER -126.19 125.82 43.07 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 114.653 -1.158 . . . . 0.0 108.743 178.206 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 45' ' ' ASN . . . . . 0.608 ' HB3' HD11 ' A' ' 23' ' ' LEU . 39.9 p30 -91.94 -178.55 5.04 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.196 0.522 . . . . 0.0 112.339 -175.147 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 15.0 m -69.66 -8.25 46.05 Favored 'General case' 0 CA--C 1.534 0.328 0 CA-C-N 115.386 -0.824 . . . . 0.0 111.902 -177.345 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 40.7 ttm -90.48 5.38 47.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.276 0.56 . . . . 0.0 109.521 177.645 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 27.4 m-80 69.81 14.7 8.02 Favored 'General case' 0 N--CA 1.467 0.412 0 CA-C-N 115.112 -0.949 . . . . 0.0 110.483 176.808 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.984 ' HD3' ' HB2' ' A' ' 20' ' ' GLU . 98.8 mttt -98.24 164.89 12.13 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.647 -0.706 . . . . 0.0 109.404 179.155 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' THR . . . . . 0.476 ' HA ' HD23 ' A' ' 23' ' ' LEU . 3.0 m -142.47 153.88 44.05 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 120.74 0.305 . . . . 0.0 110.681 -172.195 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 174.22 -147.77 9.49 Favored Glycine 0 N--CA 1.446 -0.645 0 N-CA-C 111.474 -0.65 . . . . 0.0 111.474 -179.22 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.546 ' HB3' ' HB3' ' A' ' 40' ' ' TRP . 87.7 m-85 -123.06 149.87 43.85 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 120.818 0.342 . . . . 0.0 110.622 -179.436 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.541 HG13 ' HB3' ' A' ' 23' ' ' LEU . 16.9 m -132.31 152.53 80.26 Favored Pre-proline 0 C--N 1.324 -0.528 0 CA-C-N 115.844 -0.616 . . . . 0.0 111.473 179.192 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.53 ' O ' HG22 ' A' ' 58' ' ' VAL . 59.8 Cg_endo -72.06 125.05 10.55 Favored 'Trans proline' 0 C--N 1.343 0.24 0 C-N-CA 123.478 2.786 . . . . 0.0 111.798 175.924 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 1.7 p -67.66 -11.7 58.83 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 112.37 0.508 . . . . 0.0 112.37 -176.175 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 58.5 t30 -78.06 -25.82 47.95 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.088 0.47 . . . . 0.0 110.54 177.227 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' TYR . . . . . 0.436 ' HB2' ' HG2' ' A' ' 54' ' ' PRO . 86.1 m-85 -105.43 -9.61 17.43 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.618 -176.608 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.778 HG12 HD13 ' A' ' 25' ' ' ILE . 34.3 m -121.8 152.6 25.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-O 120.831 0.348 . . . . 0.0 111.165 -178.405 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.659 ' HG2' ' HB2' ' A' ' 12' ' ' LYS . 5.7 mm-40 -131.27 165.65 22.92 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.004 -0.544 . . . . 0.0 109.631 -178.672 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 60' ' ' ARG . . . . . 0.447 ' HG3' ' CZ3' ' A' ' 41' ' ' TRP . 0.0 OUTLIER -153.5 175.09 13.57 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.029 0.442 . . . . 0.0 111.621 172.026 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 71.2 mmtt -70.41 108.01 4.07 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.186 -0.916 . . . . 0.0 110.366 -176.216 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 6.2 t30 -93.58 -46.03 7.47 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.578 0.704 . . . . 0.0 109.388 177.74 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 2.2 p . . . . . 0 N--CA 1.439 -0.994 0 CA-C-N 114.986 -1.006 . . . . 0.0 109.459 178.545 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.898 0 N-CA-C 112.454 -0.258 . . . . 0.0 112.454 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 43.7 m -121.05 110.81 16.69 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 120.889 0.376 . . . . 0.0 111.057 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -142.58 157.58 44.56 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.638 179.317 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -149.48 -64.73 0.22 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.804 0.335 . . . . 0.0 111.141 179.723 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 43.4 tt0 -148.26 71.82 1.18 Allowed 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.586 0.707 . . . . 0.0 109.552 178.901 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 6.0 mp0 -109.98 109.92 20.67 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.379 -0.828 . . . . 0.0 109.385 178.386 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 23.0 m -67.45 135.31 28.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-O 121.346 0.593 . . . . 0.0 111.522 -175.85 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.494 ' O ' ' HG2' ' A' ' 61' ' ' LYS . 54.1 t -92.87 137.8 21.54 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.657 0 CA-C-O 121.615 0.722 . . . . 0.0 111.025 178.871 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.662 ' HB ' ' O ' ' A' ' 59' ' ' GLU . 25.2 m -117.4 -175.87 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.314 -0.939 0 CA-C-N 114.493 -1.23 . . . . 0.0 109.186 179.684 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 8.8 p -140.57 137.51 36.04 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.791 0 CA-C-O 120.925 0.393 . . . . 0.0 110.291 -179.307 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.458 ' HB2' HD21 ' A' ' 31' ' ' LEU . . . -77.21 145.83 37.35 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-O 120.993 0.425 . . . . 0.0 111.679 -176.467 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.573 ' HD3' ' HG3' ' A' ' 59' ' ' GLU . 23.9 tptp -83.62 -52.85 6.1 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.16 -178.717 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 73.3 m-85 -129.23 166.73 18.82 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.364 -179.18 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 26.4 m-20 -68.18 131.66 45.79 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.501 176.481 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' TYR . . . . . 0.57 ' HB3' ' CG1' ' A' ' 25' ' ' ILE . 18.8 t80 -135.63 111.02 9.08 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.102 173.617 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 45.0 t -90.47 133.45 32.28 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.737 0 CA-C-N 115.684 -0.689 . . . . 0.0 109.39 177.718 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.635 ' HB1' ' HG3' ' A' ' 22' ' ' GLU . . . -98.58 159.17 15.13 Favored 'General case' 0 C--N 1.32 -0.715 0 N-CA-C 109.383 -0.599 . . . . 0.0 109.383 -179.436 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 98.8 mt-30 -78.89 -43.23 25.35 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 120.832 0.349 . . . . 0.0 111.224 -176.898 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' GLN . . . . . 0.559 ' HB3' ' HG2' ' A' ' 21' ' ' GLN . 13.2 tt0 -136.93 166.26 24.05 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 109.54 -0.541 . . . . 0.0 109.54 -179.623 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 -71.21 -2.49 16.16 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.721 -0.218 . . . . 0.0 111.397 -178.612 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.559 ' HG2' ' HB3' ' A' ' 19' ' ' GLN . 12.1 pt20 -69.16 -28.33 66.34 Favored 'General case' 0 C--O 1.232 0.165 0 CA-C-O 121.243 0.544 . . . . 0.0 110.053 176.94 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.635 ' HG3' ' HB1' ' A' ' 17' ' ' ALA . 3.8 pt-20 -104.6 -178.87 3.78 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.502 -0.772 . . . . 0.0 109.037 173.836 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.533 ' HB3' HG13 ' A' ' 53' ' ' VAL . 1.0 OUTLIER -104.41 127.66 52.13 Favored 'General case' 0 C--N 1.319 -0.728 0 C-N-CA 120.064 -0.654 . . . . 0.0 109.799 -176.642 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -97.81 121.29 39.55 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.628 -0.715 . . . . 0.0 109.204 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.777 HD13 HG12 ' A' ' 58' ' ' VAL . 1.2 pt -120.56 175.1 4.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 121.278 0.561 . . . . 0.0 111.258 -175.787 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.55 ' HB3' ' HB2' ' A' ' 29' ' ' GLU . 14.6 tptp -139.0 155.04 48.29 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 109.402 -0.592 . . . . 0.0 109.402 -177.827 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 53.3 tttm -59.98 127.41 31.77 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.753 0.311 . . . . 0.0 111.059 179.104 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 7.1 t30 64.65 21.91 12.5 Favored 'General case' 0 CA--C 1.537 0.462 0 CA-C-N 115.326 -0.852 . . . . 0.0 110.828 178.214 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.55 ' HB2' ' HB3' ' A' ' 26' ' ' LYS . 10.3 tp10 -90.36 144.63 25.63 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 109.157 -0.683 . . . . 0.0 109.157 177.352 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.539 ' O ' HD13 ' A' ' 31' ' ' LEU . 6.9 ptp85 -87.74 131.01 34.64 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-O 120.765 0.317 . . . . 0.0 110.147 -178.039 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.539 HD13 ' O ' ' A' ' 30' ' ' ARG . 1.5 mm? -121.1 162.85 19.32 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 109.687 -0.486 . . . . 0.0 109.687 177.002 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' TRP . . . . . 0.482 ' HB2' ' HB3' ' A' ' 44' ' ' ARG . 17.8 m-90 -96.05 121.64 38.03 Favored 'General case' 0 C--N 1.316 -0.88 0 N-CA-C 109.091 -0.707 . . . . 0.0 109.091 174.513 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.607 HD21 ' HB3' ' A' ' 36' ' ' ASP . 30.9 tp -96.94 115.37 27.31 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 121.13 0.491 . . . . 0.0 111.297 -174.735 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -102.34 -30.74 10.87 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.21 179.144 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -146.11 124.97 12.66 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.217 -177.394 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' ASP . . . . . 0.607 ' HB3' HD21 ' A' ' 33' ' ' LEU . 3.6 p30 -129.45 39.79 3.69 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.086 175.691 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 50.6 m -52.1 -47.08 65.45 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-N 115.813 -0.631 . . . . 0.0 112.329 -174.054 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 34.8 ttpt -176.27 -74.66 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.261 0 CA-C-O 120.871 0.367 . . . . 0.0 111.206 175.47 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 49.9 m -101.5 127.54 48.14 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.162 -177.96 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' TRP . . . . . 0.582 ' HA ' ' O ' ' A' ' 53' ' ' VAL . 26.9 m95 64.32 97.72 0.04 OUTLIER 'General case' 0 C--N 1.332 -0.187 0 O-C-N 123.754 0.658 . . . . 0.0 110.952 179.797 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 53.0 m0 -84.79 142.75 29.57 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.559 -0.746 . . . . 0.0 110.187 -177.815 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 62.3 ttt180 -90.74 111.39 22.74 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 109.516 -0.55 . . . . 0.0 109.516 178.913 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.54 HG12 ' HA ' ' A' ' 33' ' ' LEU . 6.2 m -132.11 164.57 34.43 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.721 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.975 -174.788 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.482 ' HB3' ' HB2' ' A' ' 32' ' ' TRP . 34.5 ttm180 -123.82 130.66 52.97 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 114.883 -1.053 . . . . 0.0 109.371 175.928 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' ASN . . . . . 0.412 ' HA ' HD12 ' A' ' 31' ' ' LEU . 21.9 t-20 -91.46 170.91 9.57 Favored 'General case' 0 C--N 1.32 -0.678 0 N-CA-C 109.119 -0.697 . . . . 0.0 109.119 176.49 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 11.9 p -68.4 -9.04 45.64 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.829 0.347 . . . . 0.0 111.297 -179.573 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' MET . . . . . 0.412 ' O ' ' HG3' ' A' ' 47' ' ' MET . 48.4 tpp -81.64 5.45 18.19 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 121.436 0.636 . . . . 0.0 109.892 175.539 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 35.9 m-80 68.5 11.21 8.27 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-N 115.494 -0.776 . . . . 0.0 111.313 174.397 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.768 ' HA ' ' HE3' ' A' ' 49' ' ' LYS . 0.0 OUTLIER -86.0 155.0 21.05 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 108.822 -0.807 . . . . 0.0 108.822 174.791 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 2.1 m -138.13 150.61 46.99 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 120.861 0.362 . . . . 0.0 110.593 177.266 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 173.7 -158.47 27.59 Favored Glycine 0 N--CA 1.445 -0.752 0 N-CA-C 111.633 -0.587 . . . . 0.0 111.633 -178.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.419 ' HB3' ' HB3' ' A' ' 40' ' ' TRP . 97.6 m-85 -114.01 144.63 42.79 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 109.75 -0.463 . . . . 0.0 109.75 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.582 ' O ' ' HA ' ' A' ' 40' ' ' TRP . 17.7 m -128.86 153.61 80.01 Favored Pre-proline 0 C--N 1.32 -0.68 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.442 -179.131 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 17.8 Cg_endo -58.45 118.15 4.98 Favored 'Trans proline' 0 N--CA 1.463 -0.303 0 C-N-CA 123.019 2.479 . . . . 0.0 111.333 173.521 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -65.91 -10.72 41.28 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.801 -0.636 . . . . 0.0 112.123 -174.648 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 17.7 m120 -89.4 -16.3 31.25 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.708 0.29 . . . . 0.0 111.327 179.905 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 39.8 m-85 -107.89 -7.1 16.35 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.994 0.426 . . . . 0.0 111.165 -176.734 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.777 HG12 HD13 ' A' ' 25' ' ' ILE . 34.7 m -122.5 152.99 27.03 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 CA-C-N 115.969 -0.56 . . . . 0.0 109.853 178.53 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.662 ' O ' ' HB ' ' A' ' 9' ' ' VAL . 6.0 mm-40 -136.01 166.24 23.8 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.205 0.526 . . . . 0.0 110.881 -176.291 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' ARG . . . . . 0.504 ' HA ' ' HB ' ' A' ' 9' ' ' VAL . 1.4 ptm180 -121.17 153.56 37.39 Favored 'General case' 0 C--N 1.317 -0.815 0 N-CA-C 109.123 -0.695 . . . . 0.0 109.123 177.707 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.494 ' HG2' ' O ' ' A' ' 8' ' ' VAL . 0.6 OUTLIER -77.22 70.82 3.67 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 121.902 0.858 . . . . 0.0 110.882 178.327 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 49.0 t-20 -151.61 68.87 0.91 Allowed 'General case' 0 C--N 1.32 -0.691 0 N-CA-C 108.2 -1.037 . . . . 0.0 108.2 176.635 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 21.8 m . . . . . 0 C--O 1.249 1.059 0 CA-C-N 115.135 -0.939 . . . . 0.0 109.998 -178.533 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.631 0 N-CA-C 111.818 -0.513 . . . . 0.0 111.818 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 32.1 t -156.91 147.38 21.36 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 109.832 -0.433 . . . . 0.0 109.832 179.718 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -106.07 160.02 15.62 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.312 -0.403 . . . . 0.0 110.142 178.896 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -177.83 -48.34 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.317 0.58 . . . . 0.0 109.834 -176.245 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -141.14 80.49 1.74 Allowed 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.446 -0.797 . . . . 0.0 109.988 175.744 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -62.33 124.05 19.86 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.089 179.098 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 6.6 m -69.05 95.3 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-O 121.867 0.841 . . . . 0.0 111.242 -178.393 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 52.9 t -89.27 131.95 35.28 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.756 0 CA-C-N 115.268 -0.878 . . . . 0.0 110.865 177.749 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.575 ' HB ' ' O ' ' A' ' 59' ' ' GLU . 11.8 m -106.84 175.87 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.31 -1.126 0 CA-C-N 114.49 -1.232 . . . . 0.0 109.123 178.637 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 14.6 p -133.55 147.9 30.87 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.033 0 CA-C-O 121.08 0.466 . . . . 0.0 109.899 -178.577 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.482 ' HB1' HD12 ' A' ' 25' ' ' ILE . . . -86.67 145.34 26.74 Favored 'General case' 0 C--N 1.314 -0.954 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.005 -179.506 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.419 ' HB2' ' HG2' ' A' ' 59' ' ' GLU . 56.1 tttt -97.19 -41.41 8.32 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.67 -0.696 . . . . 0.0 110.218 -176.595 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 91.2 m-85 -140.66 149.38 42.18 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.543 -179.063 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 13.5 m-20 -47.52 125.97 9.14 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.258 -0.883 . . . . 0.0 112.939 176.315 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' TYR . . . . . 0.505 ' HB3' ' CG1' ' A' ' 25' ' ' ILE . 8.4 t80 -136.62 110.35 8.1 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.837 -0.62 . . . . 0.0 109.6 168.223 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 47.9 t -95.04 131.27 42.3 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.747 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.134 179.294 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -97.26 149.23 22.29 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.879 -0.601 . . . . 0.0 109.631 178.624 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 47.8 mm-40 -79.69 -59.68 2.64 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-O 121.194 0.521 . . . . 0.0 111.888 -178.759 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' GLN . . . . . 0.569 ' HB2' ' HG2' ' A' ' 21' ' ' GLN . 38.2 mt-30 -108.3 164.56 12.21 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.112 -179.287 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 23.1 mt-10 -71.84 -3.66 23.55 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.365 -176.191 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.569 ' HG2' ' HB2' ' A' ' 19' ' ' GLN . 8.9 pt20 -69.26 -21.53 63.89 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.508 177.018 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.506 ' HA ' ' HA3' ' A' ' 51' ' ' GLY . 5.9 mm-40 -112.07 176.92 4.82 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.744 -0.662 . . . . 0.0 109.902 179.102 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.8 ' HG ' HG23 ' A' ' 43' ' ' VAL . 0.7 OUTLIER -104.78 129.01 53.11 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 109.481 -0.562 . . . . 0.0 109.481 -179.562 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 2.9 p-10 -99.65 135.17 41.47 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 109.681 -0.488 . . . . 0.0 109.681 178.018 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.719 HD13 HG12 ' A' ' 58' ' ' VAL . 1.1 pt -133.55 175.38 11.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-O 120.981 0.419 . . . . 0.0 111.056 -176.89 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.502 ' HB3' ' HB2' ' A' ' 29' ' ' GLU . 26.7 tptp -143.41 151.74 40.75 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 108.543 -0.91 . . . . 0.0 108.543 -177.919 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 58.6 tttp -55.15 126.17 23.67 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 118.018 0.372 . . . . 0.0 110.191 176.035 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 72.57 22.31 3.34 Favored 'General case' 0 N--CA 1.469 0.495 0 O-C-N 124.003 0.814 . . . . 0.0 110.613 177.531 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.502 ' HB2' ' HB3' ' A' ' 26' ' ' LYS . 8.6 tp10 -97.24 149.76 21.67 Favored 'General case' 0 C--N 1.331 -0.216 0 N-CA-C 109.643 -0.503 . . . . 0.0 109.643 177.482 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.704 ' O ' HD13 ' A' ' 31' ' ' LEU . 0.0 OUTLIER -96.43 136.64 36.65 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 120.506 0.193 . . . . 0.0 110.774 -177.877 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.704 HD13 ' O ' ' A' ' 30' ' ' ARG . 1.8 mm? -128.53 166.42 18.85 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 110.045 -0.354 . . . . 0.0 110.045 177.842 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 8.0 m-90 -104.66 121.62 43.94 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 109.567 -0.531 . . . . 0.0 109.567 176.745 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.557 ' HA ' HG12 ' A' ' 43' ' ' VAL . 36.8 tp -95.85 118.88 33.33 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 121.136 0.493 . . . . 0.0 111.192 -176.11 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -98.31 -45.88 6.01 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.272 -179.105 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' ASP . . . . . 0.524 ' HB3' ' HD3' ' A' ' 42' ' ' ARG . 25.1 t70 -144.35 143.96 31.21 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.999 -177.402 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 11.5 p-10 -136.76 32.33 2.73 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.851 -0.613 . . . . 0.0 109.777 178.456 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' SER . . . . . 0.466 ' O ' ' HG3' ' A' ' 38' ' ' LYS . 31.6 t -62.47 -49.38 75.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.234 -0.439 . . . . 0.0 112.025 -172.43 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.466 ' HG3' ' O ' ' A' ' 37' ' ' SER . 2.1 mtpm? -175.71 162.01 2.66 Favored 'General case' 0 N--CA 1.469 0.506 0 C-N-CA 122.342 0.257 . . . . 0.0 111.129 -177.604 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 12.9 m 57.17 80.43 0.16 Allowed 'General case' 0 C--O 1.235 0.31 0 O-C-N 124.039 0.837 . . . . 0.0 111.745 177.156 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' TRP . . . . . 0.476 ' CD1' ' HA ' ' A' ' 54' ' ' PRO . 42.0 m0 65.43 -175.39 0.18 Allowed 'General case' 0 C--O 1.235 0.299 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.22 -175.902 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' TRP . . . . . 0.515 ' CE3' HG23 ' A' ' 58' ' ' VAL . 39.7 m0 -117.49 144.24 45.25 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 121.432 0.634 . . . . 0.0 111.371 178.71 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.524 ' HD3' ' HB3' ' A' ' 35' ' ' ASP . 66.5 ttt180 -99.78 105.94 17.78 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 114.926 -1.034 . . . . 0.0 110.63 -174.94 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.8 HG23 ' HG ' ' A' ' 23' ' ' LEU . 6.1 m -129.07 168.87 21.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 121.365 0.602 . . . . 0.0 112.474 -173.547 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.615 ' HG2' ' O ' ' A' ' 49' ' ' LYS . 1.1 tmm_? -138.34 123.46 19.15 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 114.871 -1.058 . . . . 0.0 108.321 179.575 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' ASN . . . . . 0.604 ' O ' ' HD2' ' A' ' 44' ' ' ARG . 40.4 p30 -93.21 -177.47 4.47 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.823 0.344 . . . . 0.0 111.35 -176.84 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 28.1 t -66.82 -14.55 62.79 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.66 -176.579 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' MET . . . . . 0.8 ' HG2' ' HE2' ' A' ' 49' ' ' LYS . 35.9 ttm -87.35 9.81 19.33 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.184 0.516 . . . . 0.0 109.98 -179.314 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' ASN . . . . . 0.405 ' HA ' ' HD3' ' A' ' 44' ' ' ARG . 29.9 m-80 67.47 14.19 9.54 Favored 'General case' 0 N--CA 1.466 0.37 0 CA-C-N 115.489 -0.778 . . . . 0.0 111.45 174.077 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.8 ' HE2' ' HG2' ' A' ' 47' ' ' MET . 71.6 mmtt -87.87 158.17 18.79 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 109.695 -0.483 . . . . 0.0 109.695 178.28 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 3.6 m -136.86 153.08 50.86 Favored 'General case' 0 C--N 1.32 -0.689 0 N-CA-C 110.328 -0.249 . . . . 0.0 110.328 176.407 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' GLY . . . . . 0.506 ' HA3' ' HA ' ' A' ' 22' ' ' GLU . . . 171.96 -172.04 44.5 Favored Glycine 0 N--CA 1.445 -0.74 0 N-CA-C 111.599 -0.6 . . . . 0.0 111.599 -178.934 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 80.8 m-85 -105.06 133.16 50.3 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.996 0.427 . . . . 0.0 110.357 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.494 HG13 ' HB3' ' A' ' 23' ' ' LEU . 21.6 m -117.02 144.4 33.49 Favored Pre-proline 0 C--N 1.321 -0.644 0 CA-C-N 115.582 -0.736 . . . . 0.0 111.156 179.198 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.518 ' HG2' ' HB2' ' A' ' 57' ' ' TYR . 19.2 Cg_endo -57.09 125.48 19.09 Favored 'Trans proline' 0 C--O 1.234 0.314 0 C-N-CA 123.572 2.848 . . . . 0.0 112.004 177.861 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 7.0 m -67.26 -11.52 57.7 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.73 -0.668 . . . . 0.0 111.936 -174.265 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 21.8 m120 -93.22 -14.77 26.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.629 0.252 . . . . 0.0 111.548 179.347 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' TYR . . . . . 0.518 ' HB2' ' HG2' ' A' ' 54' ' ' PRO . 55.0 m-85 -103.6 -8.81 19.71 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.828 0.347 . . . . 0.0 110.986 -178.577 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.719 HG12 HD13 ' A' ' 25' ' ' ILE . 21.6 m -127.57 158.75 38.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 N-CA-C 110.008 -0.368 . . . . 0.0 110.008 179.497 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.575 ' O ' ' HB ' ' A' ' 9' ' ' VAL . 5.8 mm-40 -133.54 155.62 49.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.924 0.392 . . . . 0.0 111.261 -177.923 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 60' ' ' ARG . . . . . 0.515 ' HA ' HG12 ' A' ' 9' ' ' VAL . 76.6 mtm180 -95.8 -162.61 0.97 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.11 175.758 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 86.9 mttt -70.87 87.37 0.71 Allowed 'General case' 0 N--CA 1.454 -0.24 0 N-CA-C 109.649 -0.5 . . . . 0.0 109.649 172.115 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 63.6 t30 -78.21 -16.11 58.17 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.913 -177.915 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 38.1 m . . . . . 0 C--O 1.25 1.107 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.253 179.159 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.56 0 N-CA-C 111.8 -0.52 . . . . 0.0 111.8 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 12.7 p -116.94 17.37 15.01 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 121.365 0.602 . . . . 0.0 110.178 179.079 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 2.0 mpt? -79.1 85.16 5.02 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.606 -0.725 . . . . 0.0 110.435 -176.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -123.98 122.39 37.79 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.183 179.011 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 29.0 tt0 -92.28 104.3 16.67 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 109.528 -0.545 . . . . 0.0 109.528 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -73.01 151.72 41.63 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.404 -0.816 . . . . 0.0 111.028 -172.773 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 48.4 t -82.55 125.37 39.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.61 -179.075 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 46.4 t -106.06 141.66 20.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-O 121.475 0.655 . . . . 0.0 111.434 -176.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 5.6 m -116.62 174.62 3.42 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.72 0 CA-C-N 114.871 -1.059 . . . . 0.0 109.163 174.355 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 14.4 p -137.04 155.38 32.6 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.793 0 N-CA-C 109.679 -0.489 . . . . 0.0 109.679 -178.04 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.476 ' HA ' ' HA ' ' A' ' 58' ' ' VAL . . . -108.62 146.85 32.73 Favored 'General case' 0 C--N 1.32 -0.686 0 N-CA-C 111.418 0.155 . . . . 0.0 111.418 -178.743 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.534 ' O ' ' HG3' ' A' ' 27' ' ' LYS . 3.8 ttmp? -89.42 -44.91 9.84 Favored 'General case' 0 C--N 1.329 -0.315 0 C-N-CA 121.023 -0.271 . . . . 0.0 110.625 176.222 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 65.5 m-85 -122.54 148.16 45.52 Favored 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 120.821 -0.352 . . . . 0.0 111.039 -179.931 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 0.608 ' HB3' ' HD3' ' A' ' 26' ' ' LYS . 1.0 OUTLIER -68.21 143.16 55.44 Favored 'General case' 0 N--CA 1.446 -0.656 0 CA-C-O 121.475 0.655 . . . . 0.0 112.15 179.962 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 15' ' ' TYR . . . . . 0.53 ' HB3' ' CG1' ' A' ' 25' ' ' ILE . 10.5 t80 -137.99 119.1 14.44 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 114.884 -1.053 . . . . 0.0 110.091 177.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 47.9 t -93.3 133.35 34.72 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 N-CA-C 109.887 -0.412 . . . . 0.0 109.887 178.333 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.544 ' HB1' ' HB2' ' A' ' 22' ' ' GLU . . . -98.58 164.16 12.37 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.043 -0.526 . . . . 0.0 109.999 -178.75 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 20.3 mt-30 -80.67 -51.9 8.17 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 120.869 -0.332 . . . . 0.0 111.272 -174.535 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' GLN . . . . . 0.453 ' HB3' ' HG2' ' A' ' 21' ' ' GLN . 24.7 tp60 -131.31 170.69 14.28 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 179.579 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.598 ' HB3' ' HD2' ' A' ' 49' ' ' LYS . 1.8 mp0 -70.75 -3.47 18.89 Favored 'General case' 0 N--CA 1.469 0.482 0 CA-C-O 120.783 0.325 . . . . 0.0 111.304 -178.631 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.453 ' HG2' ' HB3' ' A' ' 19' ' ' GLN . 24.1 pt20 -70.44 -20.13 62.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.61 0.719 . . . . 0.0 109.366 173.026 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.544 ' HB2' ' HB1' ' A' ' 17' ' ' ALA . 3.6 mt-10 -105.51 -178.63 3.71 Favored 'General case' 0 N--CA 1.449 -0.497 0 CA-C-N 114.643 -1.162 . . . . 0.0 109.134 178.073 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.704 ' HG ' HG23 ' A' ' 43' ' ' VAL . 0.8 OUTLIER -115.15 128.73 56.38 Favored 'General case' 0 C--N 1.323 -0.587 0 N-CA-C 110.04 -0.356 . . . . 0.0 110.04 -178.719 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 4.0 p-10 -95.36 135.26 37.2 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 109.415 -0.587 . . . . 0.0 109.415 177.441 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.765 HD13 HG12 ' A' ' 58' ' ' VAL . 1.0 OUTLIER -135.08 158.38 41.1 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 C-N-CA 120.608 -0.437 . . . . 0.0 110.968 -179.229 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.611 ' HB3' ' HB2' ' A' ' 29' ' ' GLU . 4.0 tppp? -126.99 158.61 36.45 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 116.468 -0.333 . . . . 0.0 110.156 -177.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.534 ' HG3' ' O ' ' A' ' 12' ' ' LYS . 82.2 tttt -55.61 124.65 18.06 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.294 172.499 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 12.3 t-20 69.03 20.77 7.64 Favored 'General case' 0 N--CA 1.47 0.545 0 O-C-N 123.89 0.744 . . . . 0.0 110.705 179.868 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.611 ' HB2' ' HB3' ' A' ' 26' ' ' LYS . 9.5 tp10 -92.1 145.62 24.37 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 121.942 -0.473 . . . . 0.0 109.916 178.707 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.51 ' O ' HD13 ' A' ' 31' ' ' LEU . 9.3 ptt180 -96.3 129.74 43.56 Favored 'General case' 0 C--N 1.316 -0.863 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.209 -178.52 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.51 HD13 ' O ' ' A' ' 30' ' ' ARG . 1.5 mm? -120.51 165.38 15.05 Favored 'General case' 0 C--N 1.314 -0.971 0 N-CA-C 109.372 -0.603 . . . . 0.0 109.372 178.953 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' TRP . . . . . 0.571 ' HB2' ' HB3' ' A' ' 44' ' ' ARG . 24.5 m-90 -105.54 122.13 45.39 Favored 'General case' 0 C--N 1.314 -0.967 0 N-CA-C 109.551 -0.537 . . . . 0.0 109.551 176.106 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.531 ' HA ' HG12 ' A' ' 43' ' ' VAL . 37.6 tp -97.8 114.69 26.78 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 120.885 0.374 . . . . 0.0 111.053 -175.044 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -101.27 -36.79 8.78 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.919 -176.86 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 22.7 t0 -154.72 147.17 24.03 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.503 -0.317 . . . . 0.0 110.721 -175.904 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 15.2 p-10 -125.02 78.57 1.72 Allowed 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 122.011 0.91 . . . . 0.0 109.807 -178.724 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -52.17 -47.46 65.49 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 114.436 -1.256 . . . . 0.0 111.888 -178.355 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.793 ' HG3' ' H ' ' A' ' 39' ' ' SER . 46.1 pttt -172.52 -91.88 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.301 -0.408 . . . . 0.0 109.952 178.824 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.793 ' H ' ' HG3' ' A' ' 38' ' ' LYS . 8.1 p -96.94 -37.77 10.07 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.354 0.597 . . . . 0.0 109.45 171.611 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 33.0 m95 -80.81 102.57 10.08 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.072 -0.967 . . . . 0.0 109.623 175.509 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' TRP . . . . . 0.549 ' O ' ' HA ' ' A' ' 52' ' ' PHE . 41.8 m0 -95.23 140.83 29.58 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.246 -179.429 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.441 ' HA ' ' O ' ' A' ' 51' ' ' GLY . 56.0 ttt180 -88.21 110.15 20.48 Favored 'General case' 0 C--O 1.237 0.438 0 N-CA-C 109.567 -0.531 . . . . 0.0 109.567 179.466 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.704 HG23 ' HG ' ' A' ' 23' ' ' LEU . 4.1 m -129.19 166.9 25.63 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 CA-C-N 115.559 -0.746 . . . . 0.0 111.92 -175.361 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.571 ' HB3' ' HB2' ' A' ' 32' ' ' TRP . 57.2 ttt-85 -123.06 130.85 53.33 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 114.858 -1.065 . . . . 0.0 109.12 176.699 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' ASN . . . . . 0.558 ' H ' HD21 ' A' ' 23' ' ' LEU . 52.8 t30 -94.09 172.89 7.94 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 120.845 0.355 . . . . 0.0 110.65 -179.913 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 45.1 t -66.28 -17.34 64.69 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.482 177.928 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' MET . . . . . 0.427 ' O ' ' HG2' ' A' ' 49' ' ' LYS . 27.9 ttt -80.1 16.15 1.31 Allowed 'General case' 0 CA--C 1.533 0.308 0 CA-C-N 116.121 -0.49 . . . . 0.0 109.967 176.343 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 4.6 p30 48.09 32.12 2.81 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 123.987 0.915 . . . . 0.0 112.431 178.876 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.598 ' HD2' ' HB3' ' A' ' 20' ' ' GLU . 69.5 mmtt -104.22 165.25 11.17 Favored 'General case' 0 N--CA 1.45 -0.471 0 N-CA-C 108.728 -0.841 . . . . 0.0 108.728 172.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 2.4 m -136.33 150.36 48.83 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 120.729 0.3 . . . . 0.0 110.416 178.375 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' GLY . . . . . 0.441 ' O ' ' HA ' ' A' ' 42' ' ' ARG . . . 174.95 -155.14 20.1 Favored Glycine 0 N--CA 1.448 -0.502 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.933 -178.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.549 ' HA ' ' O ' ' A' ' 41' ' ' TRP . 91.9 m-85 -120.78 144.12 48.47 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 110.121 -0.326 . . . . 0.0 110.121 -178.277 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.503 HG13 ' HB3' ' A' ' 23' ' ' LEU . 28.7 m -129.74 158.03 74.86 Favored Pre-proline 0 C--N 1.323 -0.544 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.68 -179.113 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.513 ' HG2' ' HB2' ' A' ' 57' ' ' TYR . 59.6 Cg_endo -74.3 133.12 17.27 Favored 'Trans proline' 0 C--N 1.346 0.446 0 C-N-CA 123.049 2.499 . . . . 0.0 112.582 176.788 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 8.5 p -71.83 -10.82 60.33 Favored 'General case' 0 C--N 1.327 -0.413 0 N-CA-C 112.811 0.671 . . . . 0.0 112.811 -175.412 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' ASN . . . . . 0.44 ' OD1' ' HB2' ' A' ' 54' ' ' PRO . 21.6 p-10 -94.37 -1.47 53.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.717 0.294 . . . . 0.0 111.622 179.919 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 57' ' ' TYR . . . . . 0.513 ' HB2' ' HG2' ' A' ' 54' ' ' PRO . 52.1 m-85 -114.37 -28.44 7.23 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.808 0.337 . . . . 0.0 110.618 177.445 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.765 HG12 HD13 ' A' ' 25' ' ' ILE . 35.0 m -107.95 160.33 7.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 N-CA-C 109.473 -0.566 . . . . 0.0 109.473 178.4 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.414 ' OE2' ' HB2' ' A' ' 12' ' ' LYS . 45.3 mt-10 -124.97 153.84 42.13 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 121.48 0.657 . . . . 0.0 112.05 -176.12 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 25.6 mtp180 -108.26 106.46 16.64 Favored 'General case' 0 C--N 1.32 -0.713 0 N-CA-C 108.321 -0.992 . . . . 0.0 108.321 168.715 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.573 ' O ' ' HB2' ' A' ' 62' ' ' ASN . 0.0 OUTLIER -78.51 -172.24 2.82 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.317 -178.242 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 62' ' ' ASN . . . . . 0.573 ' HB2' ' O ' ' A' ' 61' ' ' LYS . 2.5 m120 76.29 88.68 0.08 Allowed 'General case' 0 N--CA 1.468 0.435 0 CA-C-O 121.378 0.609 . . . . 0.0 110.041 -171.878 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 73.1 m . . . . . 0 C--O 1.247 0.943 0 CA-C-N 115.411 -0.813 . . . . 0.0 109.212 178.19 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.786 0 N-CA-C 112.237 -0.345 . . . . 0.0 112.237 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 30.2 p -147.34 131.48 17.35 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.553 0.216 . . . . 0.0 110.532 178.025 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 26.0 mmt -78.91 -31.86 45.46 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.366 0.603 . . . . 0.0 110.015 178.816 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -154.74 167.83 28.9 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.102 -0.954 . . . . 0.0 109.007 178.208 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -75.72 118.09 18.17 Favored 'General case' 0 C--N 1.324 -0.536 0 C-N-CA 120.561 -0.456 . . . . 0.0 110.661 178.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -65.55 133.19 50.68 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 108.655 -0.868 . . . . 0.0 108.655 170.493 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.796 HG11 ' HE2' ' A' ' 61' ' ' LYS . 45.9 t -63.34 117.44 4.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-O 121.336 0.589 . . . . 0.0 111.346 -174.096 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.445 ' CG1' ' HB2' ' A' ' 30' ' ' ARG . 47.1 t -87.59 135.2 25.92 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.676 0 CA-C-N 114.869 -1.059 . . . . 0.0 111.39 -178.65 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.49 ' HB ' ' O ' ' A' ' 59' ' ' GLU . 12.4 m -105.59 176.32 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.316 -0.868 0 CA-C-N 114.78 -1.1 . . . . 0.0 108.575 175.303 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 14.1 p -131.95 155.37 41.53 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.821 0 C-N-CA 120.75 -0.38 . . . . 0.0 110.259 -178.599 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -97.86 146.36 25.51 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 120.974 0.416 . . . . 0.0 111.287 179.616 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.462 ' HB2' ' HE3' ' A' ' 12' ' ' LYS . 38.0 ttmt -90.23 -45.47 9.06 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.943 -0.572 . . . . 0.0 110.185 -178.49 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.437 ' HB2' ' CD2' ' A' ' 57' ' ' TYR . 65.1 m-85 -136.94 168.92 18.66 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.51 179.757 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 34.0 m-20 -69.05 133.69 48.43 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.549 178.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' TYR . . . . . 0.564 ' HB3' ' CG1' ' A' ' 25' ' ' ILE . 7.6 t80 -135.61 111.4 9.38 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.714 -0.675 . . . . 0.0 109.53 171.83 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.438 ' HA ' ' OD1' ' A' ' 24' ' ' ASP . 40.7 t -94.36 126.4 46.79 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.311 -179.784 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -87.36 131.53 34.25 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.934 -0.575 . . . . 0.0 109.47 179.713 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 60.5 tt0 -61.96 -38.9 90.24 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 121.013 0.435 . . . . 0.0 111.339 -175.756 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 81.3 mm-40 -129.6 156.42 44.24 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.066 -0.516 . . . . 0.0 109.924 178.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -71.19 -3.05 18.09 Favored 'General case' 0 N--CA 1.464 0.249 0 N-CA-C 111.954 0.353 . . . . 0.0 111.954 -176.822 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 12.7 pt20 -72.52 -17.62 61.72 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.143 0.497 . . . . 0.0 110.459 175.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 71.3 mm-40 -108.19 -177.88 3.45 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.497 -0.774 . . . . 0.0 109.615 176.686 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.809 ' HG ' HG23 ' A' ' 43' ' ' VAL . 0.8 OUTLIER -103.4 128.26 50.57 Favored 'General case' 0 C--N 1.32 -0.69 0 C-N-CA 120.642 -0.423 . . . . 0.0 110.206 -175.923 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.438 ' OD1' ' HA ' ' A' ' 16' ' ' VAL . 24.9 t70 -97.21 121.72 39.42 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.225 -0.443 . . . . 0.0 109.852 176.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.751 HD13 HG12 ' A' ' 58' ' ' VAL . 0.9 OUTLIER -121.11 162.59 19.8 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 CA-C-O 120.922 0.392 . . . . 0.0 110.469 -179.321 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.453 ' HD3' ' HA ' ' A' ' 26' ' ' LYS . 0.4 OUTLIER -129.54 154.77 46.71 Favored 'General case' 0 C--N 1.319 -0.753 0 C-N-CA 120.786 -0.366 . . . . 0.0 110.031 -177.861 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 82.8 tttt -55.29 124.41 16.96 Favored 'General case' 0 C--N 1.319 -0.736 0 O-C-N 123.656 0.597 . . . . 0.0 111.205 179.545 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 64.5 t30 64.7 23.88 12.83 Favored 'General case' 0 CA--C 1.535 0.391 0 CA-C-N 115.646 -0.706 . . . . 0.0 111.007 176.593 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -100.07 155.1 17.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.227 -0.442 . . . . 0.0 109.911 178.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.628 ' O ' HD13 ' A' ' 31' ' ' LEU . 6.7 ptp180 -93.01 141.36 28.48 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 120.759 0.314 . . . . 0.0 111.044 -176.479 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.628 HD13 ' O ' ' A' ' 30' ' ' ARG . 2.3 mm? -129.16 167.77 17.11 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 109.616 -0.512 . . . . 0.0 109.616 175.305 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 18.5 m-90 -105.47 120.57 41.96 Favored 'General case' 0 C--N 1.317 -0.812 0 N-CA-C 109.486 -0.561 . . . . 0.0 109.486 173.855 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.619 ' HA ' HG12 ' A' ' 43' ' ' VAL . 41.9 tp -95.25 124.02 39.07 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 120.981 0.42 . . . . 0.0 111.195 -176.164 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -102.42 -51.05 3.43 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.626 -0.716 . . . . 0.0 110.078 178.227 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -127.64 130.44 48.95 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.596 -176.528 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 11.7 p-10 -103.15 64.85 0.85 Allowed 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 122.302 1.048 . . . . 0.0 108.747 175.282 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' SER . . . . . 0.453 ' O ' ' HB3' ' A' ' 38' ' ' LYS . 0.3 OUTLIER -67.52 5.34 0.81 Allowed 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 114.25 -1.341 . . . . 0.0 113.27 -176.687 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.453 ' HB3' ' O ' ' A' ' 37' ' ' SER . 84.9 tttt 73.59 -69.63 0.18 Allowed 'General case' 0 N--CA 1.469 0.505 0 C-N-CA 123.167 0.587 . . . . 0.0 110.858 178.733 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 24.1 m -82.58 91.04 6.86 Favored 'General case' 0 N--CA 1.444 -0.742 0 N-CA-C 109.644 -0.502 . . . . 0.0 109.644 177.879 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' TRP . . . . . 0.569 ' HB3' ' HB3' ' A' ' 52' ' ' PHE . 61.2 m95 70.92 113.33 0.05 Allowed 'General case' 0 N--CA 1.465 0.294 0 CA-C-N 115.277 -0.874 . . . . 0.0 110.507 -176.772 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' TRP . . . . . 0.436 ' O ' ' HA ' ' A' ' 52' ' ' PHE . 42.4 m0 -90.59 146.7 23.85 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.686 -177.173 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 21.5 ttp180 -95.62 113.74 25.41 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.991 0.424 . . . . 0.0 110.035 178.189 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.809 HG23 ' HG ' ' A' ' 23' ' ' LEU . 5.6 m -126.96 166.93 22.6 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 CA-C-N 115.562 -0.745 . . . . 0.0 111.389 -177.502 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.484 ' HG3' ' O ' ' A' ' 49' ' ' LYS . 39.2 ttt180 -133.95 127.29 32.1 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.464 -0.789 . . . . 0.0 109.822 176.837 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' ASN . . . . . 0.41 ' H ' HD21 ' A' ' 23' ' ' LEU . 28.3 t-20 -87.45 174.84 8.26 Favored 'General case' 0 C--N 1.32 -0.69 0 N-CA-C 109.193 -0.669 . . . . 0.0 109.193 178.537 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 6.2 p -68.27 -15.21 63.48 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.947 0.404 . . . . 0.0 111.096 -178.523 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 53.0 tpp -75.32 -3.23 32.27 Favored 'General case' 0 CA--C 1.533 0.312 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.191 174.687 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 22.9 m-80 71.12 9.74 6.72 Favored 'General case' 0 N--CA 1.468 0.442 0 C-N-CA 123.858 0.863 . . . . 0.0 111.756 174.965 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.484 ' O ' ' HG3' ' A' ' 44' ' ' ARG . 71.7 mmtt -74.3 155.09 38.58 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 108.22 -1.03 . . . . 0.0 108.22 172.44 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' THR . . . . . 0.427 ' HA ' HD23 ' A' ' 23' ' ' LEU . 3.0 m -133.82 153.12 51.96 Favored 'General case' 0 C--N 1.319 -0.736 0 N-CA-C 110.226 -0.287 . . . . 0.0 110.226 177.554 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 171.25 -169.36 42.42 Favored Glycine 0 N--CA 1.447 -0.595 0 C-N-CA 120.842 -0.695 . . . . 0.0 111.886 -179.401 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.569 ' HB3' ' HB3' ' A' ' 40' ' ' TRP . 91.3 m-85 -108.54 140.33 42.05 Favored 'General case' 0 N--CA 1.448 -0.56 0 CA-C-O 121.085 0.469 . . . . 0.0 110.362 -179.126 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 27.7 m -123.05 148.34 54.09 Favored Pre-proline 0 C--N 1.317 -0.815 0 CA-C-N 115.737 -0.665 . . . . 0.0 111.24 -179.106 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.511 ' HG2' ' HB2' ' A' ' 57' ' ' TYR . 33.7 Cg_endo -64.88 128.67 21.36 Favored 'Trans proline' 0 N--CA 1.462 -0.352 0 C-N-CA 122.96 2.44 . . . . 0.0 111.837 178.964 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 32.2 t -67.82 -11.33 58.34 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.055 -0.521 . . . . 0.0 111.511 -175.569 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 2.8 m-20 -90.19 -14.97 32.38 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.696 0.284 . . . . 0.0 111.238 -178.009 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' TYR . . . . . 0.511 ' HB2' ' HG2' ' A' ' 54' ' ' PRO . 39.5 m-85 -109.77 -9.11 14.84 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.593 -0.276 . . . . 0.0 111.372 -177.751 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.751 HG12 HD13 ' A' ' 25' ' ' ILE . 27.8 m -124.48 164.23 23.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-O 120.523 0.201 . . . . 0.0 110.908 -178.607 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.49 ' O ' ' HB ' ' A' ' 9' ' ' VAL . 41.1 mm-40 -135.04 166.91 21.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.074 -178.047 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 78.4 mtp180 -106.92 -159.1 0.68 Allowed 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.369 178.046 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.796 ' HE2' HG11 ' A' ' 7' ' ' VAL . 18.5 ptpt -75.22 151.97 38.39 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 109.786 -0.45 . . . . 0.0 109.786 179.168 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 89.7 m-20 -82.72 109.16 16.63 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 109.945 -0.391 . . . . 0.0 109.945 178.191 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 63.3 m . . . . . 0 C--O 1.249 1.035 0 CA-C-O 118.331 -0.842 . . . . 0.0 110.338 -177.876 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.685 0 N-CA-C 111.998 -0.441 . . . . 0.0 111.998 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 52.9 p -78.35 -38.74 41.33 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.673 0.273 . . . . 0.0 110.61 179.364 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 94.2 mmm 59.22 28.73 18.12 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.554 -179.376 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -151.83 -167.17 2.7 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.339 -0.846 . . . . 0.0 109.648 -178.129 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 13.7 pt-20 -82.58 150.36 26.94 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 120.963 0.411 . . . . 0.0 110.936 179.39 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 42.0 mm-40 -83.23 177.07 8.71 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.811 -0.632 . . . . 0.0 109.808 175.845 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 50.4 t -69.28 105.36 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-O 120.799 0.333 . . . . 0.0 110.963 -179.461 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 79.0 t -106.16 139.3 27.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-O 121.778 0.799 . . . . 0.0 111.46 -179.162 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 20.2 m -118.58 -177.67 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.317 -0.84 0 CA-C-N 114.093 -1.412 . . . . 0.0 108.852 178.033 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 12.5 p -140.65 143.27 29.19 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.692 0 C-N-CA 120.804 -0.358 . . . . 0.0 110.129 -179.867 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.472 ' HB2' HD21 ' A' ' 31' ' ' LEU . . . -89.75 146.21 24.65 Favored 'General case' 0 C--N 1.316 -0.865 0 CA-C-O 121.028 0.442 . . . . 0.0 111.944 -176.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.616 ' HB2' ' HG2' ' A' ' 59' ' ' GLU . 51.9 tptt -85.09 -49.1 8.55 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.2 -178.731 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 58.7 m-85 -132.81 167.97 19.22 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.228 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 25.0 m-20 -67.75 128.28 35.89 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.606 -0.724 . . . . 0.0 111.017 178.324 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' TYR . . . . . 0.537 ' HB3' ' CG1' ' A' ' 25' ' ' ILE . 33.2 t80 -131.85 111.11 11.31 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.15 -0.477 . . . . 0.0 109.759 172.184 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 27.0 t -81.65 142.33 13.89 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-N 115.857 -0.61 . . . . 0.0 109.709 178.891 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.537 ' HB1' ' HB2' ' A' ' 22' ' ' GLU . . . -86.1 153.63 21.95 Favored 'General case' 0 N--CA 1.441 -0.911 0 N-CA-C 109.569 -0.53 . . . . 0.0 109.569 -177.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 50.5 tt0 -67.98 -55.28 13.28 Favored 'General case' 0 C--N 1.315 -0.927 0 N-CA-C 109.569 -0.53 . . . . 0.0 109.569 178.409 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 23.4 mm-40 -147.44 -167.91 2.91 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 114.944 -1.026 . . . . 0.0 108.742 173.048 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 4.5 mp0 -70.9 -3.58 19.93 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-O 120.964 0.411 . . . . 0.0 110.792 179.597 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.426 ' HG3' ' OE2' ' A' ' 22' ' ' GLU . 12.7 pt20 -78.34 -17.98 55.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.384 0.612 . . . . 0.0 110.109 175.339 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.537 ' HB2' ' HB1' ' A' ' 17' ' ' ALA . 49.0 mm-40 -110.39 177.34 4.72 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 108.326 -0.99 . . . . 0.0 108.326 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.509 HD23 ' HA ' ' A' ' 50' ' ' THR . 1.1 tm? -105.85 128.03 53.49 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 109.379 -0.6 . . . . 0.0 109.379 177.003 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -96.23 117.71 31.33 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 109.99 -0.374 . . . . 0.0 109.99 179.635 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.752 HD13 HG12 ' A' ' 58' ' ' VAL . 1.0 OUTLIER -118.72 176.5 3.12 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.652 0 CA-C-O 120.882 0.372 . . . . 0.0 110.146 179.423 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.418 ' O ' ' HB3' ' A' ' 11' ' ' ALA . 0.0 OUTLIER -142.58 164.23 30.67 Favored 'General case' 0 C--N 1.316 -0.865 0 N-CA-C 109.396 -0.594 . . . . 0.0 109.396 -178.184 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 37.9 ttpt -63.42 139.34 58.76 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 110.089 -0.337 . . . . 0.0 110.089 177.909 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 3.1 p-10 48.95 28.83 2.12 Favored 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 124.115 0.966 . . . . 0.0 112.047 -177.046 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -89.65 146.29 24.64 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.903 -0.589 . . . . 0.0 109.837 176.478 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.424 ' O ' HD13 ' A' ' 31' ' ' LEU . 2.4 ptm180 -96.49 126.62 41.81 Favored 'General case' 0 C--N 1.319 -0.758 0 N-CA-C 109.687 -0.486 . . . . 0.0 109.687 179.56 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.472 HD21 ' HB2' ' A' ' 11' ' ' ALA . 1.3 mm? -117.78 165.55 13.51 Favored 'General case' 0 C--N 1.318 -0.771 0 N-CA-C 109.853 -0.425 . . . . 0.0 109.853 -178.956 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' TRP . . . . . 0.416 ' HE3' ' O ' ' A' ' 44' ' ' ARG . 12.1 m-90 -102.88 124.06 47.68 Favored 'General case' 0 C--N 1.315 -0.921 0 N-CA-C 109.577 -0.527 . . . . 0.0 109.577 175.668 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.585 ' HA ' HG12 ' A' ' 43' ' ' VAL . 43.9 tp -99.01 117.7 34.12 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 121.161 0.505 . . . . 0.0 111.388 -174.604 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.406 HD22 ' N ' ' A' ' 34' ' ' LEU . 1.9 mm? -106.87 -26.89 11.03 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.671 -0.695 . . . . 0.0 111.098 -178.145 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' ASP . . . . . 0.624 ' HB3' ' HB3' ' A' ' 42' ' ' ARG . 11.0 t70 -153.47 133.45 13.24 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.957 0.408 . . . . 0.0 111.633 -175.687 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -131.82 36.79 3.68 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.709 -0.678 . . . . 0.0 109.711 176.051 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 12.6 t -56.14 -48.82 75.52 Favored 'General case' 0 C--O 1.237 0.401 0 CA-C-N 115.804 -0.635 . . . . 0.0 111.77 -172.74 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 17.1 pttp -178.97 162.78 1.29 Allowed 'General case' 0 C--O 1.233 0.196 0 CA-C-O 120.549 0.214 . . . . 0.0 111.242 -179.857 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 13.4 m 68.17 -83.36 0.03 OUTLIER 'General case' 0 CA--C 1.534 0.35 0 CA-C-N 115.517 -0.765 . . . . 0.0 111.666 172.621 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 8.1 m0 -124.4 142.82 51.0 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 109.386 -0.598 . . . . 0.0 109.386 -179.661 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 51.1 m0 -83.31 139.77 32.86 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-O 121.161 0.505 . . . . 0.0 110.847 -177.444 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.624 ' HB3' ' HB3' ' A' ' 35' ' ' ASP . 42.2 ttp180 -98.04 110.6 23.15 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.992 -0.549 . . . . 0.0 109.955 -179.621 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.585 HG12 ' HA ' ' A' ' 33' ' ' LEU . 11.7 m -127.78 173.4 13.13 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 CA-C-N 115.492 -0.777 . . . . 0.0 112.062 -173.801 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.416 ' O ' ' HE3' ' A' ' 32' ' ' TRP . 15.1 ttm180 -129.29 129.07 44.42 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 114.905 -1.043 . . . . 0.0 109.323 175.519 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' ASN . . . . . 0.42 ' HB2' HD11 ' A' ' 23' ' ' LEU . 55.2 t30 -104.02 179.2 4.34 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 109.046 -0.724 . . . . 0.0 109.046 177.339 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 27.2 p -65.26 -8.13 16.34 Favored 'General case' 0 CA--C 1.533 0.304 0 CA-C-O 121.313 0.578 . . . . 0.0 110.972 179.476 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' MET . . . . . 0.53 ' O ' ' HG2' ' A' ' 49' ' ' LYS . 2.4 tpt -76.86 12.22 1.43 Allowed 'General case' 0 CA--C 1.533 0.314 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.65 178.24 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 9.6 p30 50.66 21.72 0.96 Allowed 'General case' 0 N--CA 1.483 1.198 0 C-N-CA 124.317 1.047 . . . . 0.0 113.285 176.029 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.53 ' HG2' ' O ' ' A' ' 47' ' ' MET . 68.2 mmtt -113.81 169.59 8.88 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.011 178.509 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' THR . . . . . 0.509 ' HA ' HD23 ' A' ' 23' ' ' LEU . 5.0 m -136.57 152.17 50.19 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 109.814 -0.439 . . . . 0.0 109.814 176.001 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 178.7 -171.49 43.69 Favored Glycine 0 N--CA 1.445 -0.733 0 N-CA-C 111.469 -0.653 . . . . 0.0 111.469 -178.25 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 93.5 m-85 -105.39 125.09 50.59 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-O 120.926 0.393 . . . . 0.0 110.705 -179.162 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.469 ' CG1' ' HB3' ' A' ' 23' ' ' LEU . 27.6 m -109.16 147.87 36.83 Favored Pre-proline 0 C--N 1.321 -0.64 0 CA-C-O 121.111 0.481 . . . . 0.0 111.368 -179.468 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.486 ' HG2' ' HB2' ' A' ' 57' ' ' TYR . 42.3 Cg_endo -66.08 122.57 10.13 Favored 'Trans proline' 0 C--O 1.237 0.453 0 C-N-CA 123.366 2.711 . . . . 0.0 112.264 179.218 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 10.9 m -64.63 -11.72 38.25 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.73 -0.668 . . . . 0.0 111.809 -177.47 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 69.8 m-20 -87.85 -11.62 47.28 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.524 -0.307 . . . . 0.0 110.85 -179.536 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' TYR . . . . . 0.486 ' HB2' ' HG2' ' A' ' 54' ' ' PRO . 45.5 m-85 -111.55 -16.53 13.26 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.82 0.343 . . . . 0.0 110.999 -179.511 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.752 HG12 HD13 ' A' ' 25' ' ' ILE . 33.3 m -118.31 155.38 20.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.267 -177.152 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.616 ' HG2' ' HB2' ' A' ' 12' ' ' LYS . 15.1 mm-40 -123.33 167.51 13.69 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 109.114 -0.699 . . . . 0.0 109.114 179.221 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 14.1 ptt180 -149.15 175.42 11.38 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 121.089 0.471 . . . . 0.0 110.792 177.399 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 7.3 mtpt -74.31 99.91 3.6 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.521 -0.763 . . . . 0.0 109.799 174.207 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' ASN . . . . . 0.44 ' HB2' ' H ' ' A' ' 63' ' ' SER . 7.4 m-80 -86.72 -106.36 0.06 Allowed 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.097 -178.13 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 63' ' ' SER . . . . . 0.44 ' H ' ' HB2' ' A' ' 62' ' ' ASN . 43.4 m . . . . . 0 C--O 1.247 0.956 0 CA-C-O 118.49 -0.766 . . . . 0.0 109.291 174.888 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.589 0 N-CA-C 111.741 -0.544 . . . . 0.0 111.741 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 17.8 m -110.08 89.4 3.01 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.189 0.518 . . . . 0.0 110.597 -179.864 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -137.91 150.1 46.78 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.216 179.622 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -144.69 -74.33 0.24 Allowed 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.904 -0.589 . . . . 0.0 109.727 175.577 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -138.02 101.17 4.35 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.316 176.926 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -120.77 146.41 46.54 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.676 -0.693 . . . . 0.0 109.558 -179.55 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 10.8 m -76.03 115.5 17.66 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-O 121.433 0.635 . . . . 0.0 111.427 -178.342 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 71.7 t -88.0 131.82 34.67 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.658 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.566 175.417 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.547 HG12 ' HA ' ' A' ' 60' ' ' ARG . 8.2 m -107.84 176.46 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.31 -1.119 0 CA-C-N 114.591 -1.186 . . . . 0.0 109.169 179.146 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 10.7 p -139.4 144.35 29.12 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.059 0 N-CA-C 109.897 -0.408 . . . . 0.0 109.897 -178.887 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.575 ' HB1' HD12 ' A' ' 25' ' ' ILE . . . -83.52 131.96 34.97 Favored 'General case' 0 C--N 1.314 -0.957 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.988 -179.669 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.575 ' HB2' ' HG3' ' A' ' 59' ' ' GLU . 39.0 ttpt -83.88 -38.76 20.72 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 109.759 -0.46 . . . . 0.0 109.759 178.733 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.512 ' CE2' ' HE3' ' A' ' 12' ' ' LYS . 70.6 m-85 -134.96 163.48 29.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.953 176.686 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -65.74 135.89 55.52 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.557 -0.747 . . . . 0.0 111.179 178.169 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' TYR . . . . . 0.631 ' HB3' ' CG1' ' A' ' 25' ' ' ILE . 12.3 t80 -136.78 111.45 8.7 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 121.116 0.484 . . . . 0.0 110.063 171.517 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 47.6 t -86.8 132.23 32.89 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 CA-C-N 115.761 -0.654 . . . . 0.0 109.834 177.412 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.463 ' HB1' ' HB2' ' A' ' 22' ' ' GLU . . . -93.47 159.81 15.08 Favored 'General case' 0 C--N 1.318 -0.763 0 N-CA-C 108.894 -0.78 . . . . 0.0 108.894 -178.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 49.3 tt0 -65.62 -45.86 81.47 Favored 'General case' 0 C--N 1.32 -0.68 0 C-N-CA 120.225 -0.59 . . . . 0.0 110.513 -179.377 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 45.1 mt-30 -150.37 -178.69 6.67 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.7 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -66.35 -9.47 33.65 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-N 115.798 -0.637 . . . . 0.0 111.321 179.684 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.518 ' HG3' ' HG2' ' A' ' 22' ' ' GLU . 13.0 pt20 -68.53 -23.47 64.53 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.85 -0.613 . . . . 0.0 110.656 177.705 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.518 ' HG2' ' HG3' ' A' ' 21' ' ' GLN . 73.5 mm-40 -113.48 -177.39 3.12 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.703 -0.68 . . . . 0.0 109.251 179.684 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.78 ' HG ' HG23 ' A' ' 43' ' ' VAL . 0.7 OUTLIER -103.46 127.18 50.89 Favored 'General case' 0 N--CA 1.445 -0.718 0 N-CA-C 109.12 -0.696 . . . . 0.0 109.12 -178.497 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.7 p-10 -100.26 134.37 43.3 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 108.646 -0.872 . . . . 0.0 108.646 176.692 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.801 HD13 HG12 ' A' ' 58' ' ' VAL . 1.3 pt -131.22 150.18 34.14 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.788 0 CA-C-O 121.198 0.523 . . . . 0.0 110.741 -177.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.468 ' HB3' ' HB2' ' A' ' 29' ' ' GLU . 24.1 tptp -114.03 154.14 28.19 Favored 'General case' 0 C--N 1.316 -0.86 0 N-CA-C 108.681 -0.859 . . . . 0.0 108.681 -178.306 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 87.1 tttt -59.01 123.37 16.36 Favored 'General case' 0 N--CA 1.449 -0.523 0 C-N-CA 120.327 -0.549 . . . . 0.0 109.604 176.657 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 65.2 t30 72.8 26.57 2.32 Favored 'General case' 0 N--CA 1.471 0.584 0 O-C-N 124.196 0.935 . . . . 0.0 111.222 -177.919 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.468 ' HB2' ' HB3' ' A' ' 26' ' ' LYS . 6.2 tp10 -93.96 139.59 30.74 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 173.745 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.599 ' O ' HD13 ' A' ' 31' ' ' LEU . 3.7 ptm180 -91.22 135.7 33.6 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 179.759 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.599 HD13 ' O ' ' A' ' 30' ' ' ARG . 1.7 mm? -124.11 163.79 20.76 Favored 'General case' 0 C--N 1.316 -0.874 0 N-CA-C 109.018 -0.734 . . . . 0.0 109.018 178.571 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' TRP . . . . . 0.542 ' HB2' ' HB3' ' A' ' 44' ' ' ARG . 23.4 m-90 -102.43 122.81 45.04 Favored 'General case' 0 C--N 1.311 -1.1 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 175.265 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.578 ' HA ' HG12 ' A' ' 43' ' ' VAL . 33.4 tp -93.41 111.47 23.14 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-O 121.025 0.441 . . . . 0.0 110.81 -176.598 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -98.35 -44.9 6.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.883 -0.599 . . . . 0.0 109.989 -179.866 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' ASP . . . . . 0.576 ' HB3' ' HB3' ' A' ' 42' ' ' ARG . 14.8 t70 -136.29 122.29 20.15 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.33 -177.121 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 9.2 p-10 -119.28 66.03 0.79 Allowed 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 109.029 -0.73 . . . . 0.0 109.029 173.895 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 10.0 t -52.38 -47.55 66.12 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.019 -0.991 . . . . 0.0 111.636 -175.204 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -172.66 -84.74 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 109.584 -0.525 . . . . 0.0 109.584 175.234 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 54.3 m -103.56 139.21 39.18 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.158 -0.474 . . . . 0.0 109.848 175.803 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' TRP . . . . . 0.59 ' HA ' ' O ' ' A' ' 53' ' ' VAL . 40.8 m95 65.35 99.12 0.04 OUTLIER 'General case' 0 N--CA 1.463 0.205 0 CA-C-O 121.65 0.738 . . . . 0.0 110.383 -176.581 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 32.9 m0 -91.82 149.32 21.65 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.357 -0.838 . . . . 0.0 111.117 -171.894 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.576 ' HB3' ' HB3' ' A' ' 35' ' ' ASP . 32.1 ttt180 -92.56 108.7 20.17 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.533 -0.758 . . . . 0.0 109.854 178.697 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.78 HG23 ' HG ' ' A' ' 23' ' ' LEU . 8.3 m -125.45 162.18 28.72 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.885 -174.699 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.542 ' HB3' ' HB2' ' A' ' 32' ' ' TRP . 46.9 ttp180 -111.87 125.25 53.83 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.049 -0.978 . . . . 0.0 109.376 175.969 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' ASN . . . . . 0.592 ' HB2' HD11 ' A' ' 23' ' ' LEU . 28.0 t-20 -85.39 172.95 10.65 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.238 -179.901 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 6.5 m -60.89 -27.51 68.21 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.845 179.449 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 14.5 tpt -81.17 8.15 9.5 Favored 'General case' 0 CA--C 1.534 0.356 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.649 179.004 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 30.6 m-80 69.42 16.3 8.27 Favored 'General case' 0 N--CA 1.471 0.609 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.414 175.409 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.427 ' O ' ' HA ' ' A' ' 44' ' ' ARG . 74.4 mmtt -80.85 167.25 20.13 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.084 -0.507 . . . . 0.0 109.957 176.366 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' THR . . . . . 0.419 ' HA ' HD23 ' A' ' 23' ' ' LEU . 4.0 m -142.9 153.4 43.08 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.624 0.25 . . . . 0.0 110.37 175.547 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' GLY . . . . . 0.428 ' O ' ' HA ' ' A' ' 42' ' ' ARG . . . 169.24 -170.22 42.42 Favored Glycine 0 N--CA 1.448 -0.524 0 N-CA-C 111.097 -0.801 . . . . 0.0 111.097 -178.883 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 56.8 m-85 -104.68 134.1 48.41 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.013 0.435 . . . . 0.0 111.082 -179.363 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.59 ' O ' ' HA ' ' A' ' 40' ' ' TRP . 22.0 m -121.25 146.85 45.6 Favored Pre-proline 0 C--N 1.323 -0.586 0 CA-C-N 115.494 -0.775 . . . . 0.0 111.278 -179.879 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.602 ' HG2' ' HB2' ' A' ' 57' ' ' TYR . 37.0 Cg_endo -64.71 126.13 16.15 Favored 'Trans proline' 0 C--N 1.345 0.39 0 C-N-CA 123.138 2.559 . . . . 0.0 112.26 -179.609 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 12.2 m -65.53 -11.19 41.46 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.878 -0.601 . . . . 0.0 112.539 -174.57 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 89.6 m-20 -93.22 -16.81 24.4 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.856 0.36 . . . . 0.0 111.284 -179.422 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' TYR . . . . . 0.602 ' HB2' ' HG2' ' A' ' 54' ' ' PRO . 71.9 m-85 -103.9 -20.67 13.82 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.965 0.412 . . . . 0.0 110.344 -179.214 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.801 HG12 HD13 ' A' ' 25' ' ' ILE . 31.5 m -109.51 156.18 10.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-N 116.002 -0.544 . . . . 0.0 109.836 176.312 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.575 ' HG3' ' HB2' ' A' ' 12' ' ' LYS . 17.3 mm-40 -136.2 148.08 47.95 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.113 0.482 . . . . 0.0 111.988 -173.481 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 60' ' ' ARG . . . . . 0.547 ' HA ' HG12 ' A' ' 9' ' ' VAL . 54.8 mtt180 -79.32 164.22 24.27 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.364 -0.834 . . . . 0.0 109.365 171.193 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 18.3 ptpt -72.89 124.53 25.6 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 109.731 -0.47 . . . . 0.0 109.731 175.488 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 93.9 m-20 -83.91 99.21 10.22 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 109.978 -0.379 . . . . 0.0 109.978 179.372 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 50.7 m . . . . . 0 C--O 1.247 0.967 0 CA-C-O 118.855 -0.593 . . . . 0.0 110.266 179.449 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.403 ' CG1' ' HB2' ' A' ' 30' ' ' ARG . 42.5 t . . . . . 0 N--CA 1.449 -0.496 0 CA-C-O 121.546 0.688 . . . . 0.0 112.341 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.49 HG11 HD22 ' A' ' 33' ' ' LEU . 15.8 m -119.52 -173.4 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.784 0 CA-C-N 114.778 -1.101 . . . . 0.0 109.304 175.225 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 11.0 p -140.45 144.89 26.7 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.75 0 C-N-CA 120.431 -0.508 . . . . 0.0 110.85 -178.497 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.426 ' HB3' ' O ' ' A' ' 26' ' ' LYS . . . -87.54 146.08 25.94 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-O 121.229 0.538 . . . . 0.0 111.124 179.185 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 12.4 mmmm -94.0 -44.98 7.8 Favored 'General case' 0 C--N 1.316 -0.869 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.232 179.694 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 87.2 m-85 -136.99 157.08 47.55 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.637 -179.028 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -60.81 131.06 49.49 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.133 178.733 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . 0.603 ' HB3' HG13 ' A' ' 25' ' ' ILE . 43.8 t80 -134.55 111.39 10.03 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 116.139 -0.482 . . . . 0.0 109.815 173.886 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 41.3 t -80.86 140.0 17.27 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 CA-C-N 115.762 -0.654 . . . . 0.0 109.594 178.551 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.513 ' HB1' ' HB2' ' A' ' 22' ' ' GLU . . . -92.37 153.5 19.14 Favored 'General case' 0 N--CA 1.444 -0.73 0 N-CA-C 109.149 -0.686 . . . . 0.0 109.149 -179.27 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 7.5 tt0 -66.72 -62.83 1.25 Allowed 'General case' 0 C--N 1.315 -0.897 0 N-CA-C 109.773 -0.454 . . . . 0.0 109.773 178.628 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . 0.794 ' HB2' ' HG2' ' A' ' 21' ' ' GLN . 78.5 mm-40 -131.24 176.88 7.91 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.543 -0.753 . . . . 0.0 109.135 171.935 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 -66.07 -3.43 5.45 Favored 'General case' 0 N--CA 1.468 0.448 0 CA-C-O 121.143 0.497 . . . . 0.0 111.4 175.852 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.794 ' HG2' ' HB2' ' A' ' 19' ' ' GLN . 14.0 pt20 -70.28 -21.88 62.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.448 0.642 . . . . 0.0 109.474 171.564 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.513 ' HB2' ' HB1' ' A' ' 17' ' ' ALA . 12.3 mm-40 -108.46 -179.24 3.82 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.005 -0.998 . . . . 0.0 108.796 179.457 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.693 ' HG ' HG23 ' A' ' 43' ' ' VAL . 0.8 OUTLIER -108.69 127.88 54.37 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 109.643 -0.503 . . . . 0.0 109.643 178.532 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -99.56 134.16 42.85 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 109.514 -0.551 . . . . 0.0 109.514 176.55 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.674 HD13 HG12 ' A' ' 58' ' ' VAL . 1.1 pp -130.98 152.94 38.41 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-O 121.068 0.461 . . . . 0.0 110.612 -177.293 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.426 ' O ' ' HB3' ' A' ' 11' ' ' ALA . 19.2 tptp -116.56 150.85 37.32 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 109.145 -0.687 . . . . 0.0 109.145 -176.017 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 62.4 tttm -56.24 129.67 41.23 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.758 0.313 . . . . 0.0 111.331 -179.239 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 6.3 m120 65.18 15.7 10.15 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 115.448 -0.797 . . . . 0.0 112.382 177.358 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -93.78 148.43 22.13 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 109.886 -0.413 . . . . 0.0 109.886 -179.073 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.517 ' O ' HD13 ' A' ' 31' ' ' LEU . 17.0 ptt-85 -88.22 132.66 34.27 Favored 'General case' 0 C--N 1.316 -0.87 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.863 -176.698 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.517 HD13 ' O ' ' A' ' 30' ' ' ARG . 1.5 mm? -120.11 165.45 14.72 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 109.904 -0.406 . . . . 0.0 109.904 177.505 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 16.2 m-90 -102.63 124.47 48.24 Favored 'General case' 0 C--N 1.316 -0.887 0 N-CA-C 109.835 -0.432 . . . . 0.0 109.835 178.451 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.608 ' HA ' HG12 ' A' ' 43' ' ' VAL . 50.1 tp -100.56 127.2 47.01 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.092 0.472 . . . . 0.0 111.797 -172.355 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -108.3 -61.46 1.59 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.67 -0.695 . . . . 0.0 110.369 178.781 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . 0.629 ' HB2' ' HB3' ' A' ' 42' ' ' ARG . 2.7 m-20 . . . . . 0 C--N 1.328 -0.345 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.82 -179.127 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' TRP . . . . . 0.612 ' HB3' ' HB3' ' A' ' 52' ' ' PHE . 20.2 m95 . . . . . 0 N--CA 1.451 -0.377 0 CA-C-O 120.806 0.336 . . . . 0.0 110.15 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 47.2 m0 -80.31 143.49 33.58 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.314 0.578 . . . . 0.0 111.647 -175.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.629 ' HB3' ' HB2' ' A' ' 35' ' ' ASP . 45.6 ttt180 -95.59 107.86 20.08 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 115.157 -0.928 . . . . 0.0 109.538 179.459 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.693 HG23 ' HG ' ' A' ' 23' ' ' LEU . 6.4 m -131.43 165.42 31.68 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 CA-C-O 121.435 0.636 . . . . 0.0 112.182 -174.912 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.571 ' HG3' ' O ' ' A' ' 49' ' ' LYS . 28.3 ttm180 -124.71 137.12 54.36 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 114.596 -1.183 . . . . 0.0 108.812 172.898 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 30.3 p30 -100.89 -174.11 2.54 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-O 120.971 0.415 . . . . 0.0 111.61 -178.809 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 6.8 m -67.23 -17.11 64.67 Favored 'General case' 0 CA--C 1.531 0.216 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.896 177.712 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 14.5 tpt -82.95 11.62 5.93 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.939 -0.573 . . . . 0.0 109.82 179.706 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 6.5 p30 48.71 28.77 1.95 Allowed 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 124.469 1.108 . . . . 0.0 112.594 178.105 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.571 ' O ' ' HG3' ' A' ' 44' ' ' ARG . 69.0 mmtt -107.28 166.5 10.59 Favored 'General case' 0 N--CA 1.448 -0.552 0 N-CA-C 109.264 -0.643 . . . . 0.0 109.264 173.755 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . 0.483 ' HA ' HD23 ' A' ' 23' ' ' LEU . 3.7 m -137.68 152.6 49.46 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 120.92 0.39 . . . . 0.0 110.731 -176.572 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 174.34 -163.75 34.57 Favored Glycine 0 N--CA 1.444 -0.792 0 CA-C-N 115.75 -0.659 . . . . 0.0 111.527 -178.488 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.612 ' HB3' ' HB3' ' A' ' 40' ' ' TRP . 11.9 m-30 -105.9 143.44 34.03 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 120.806 0.336 . . . . 0.0 110.321 -179.727 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.51 HG13 ' HB3' ' A' ' 23' ' ' LEU . 16.1 m -128.13 150.52 74.1 Favored Pre-proline 0 C--N 1.322 -0.602 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.671 178.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . 0.468 ' O ' HG22 ' A' ' 58' ' ' VAL . 64.4 Cg_endo -73.51 130.3 14.76 Favored 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 123.46 2.773 . . . . 0.0 112.529 179.024 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 11.9 p -67.35 -11.84 58.67 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.905 -0.589 . . . . 0.0 112.186 -176.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 85.7 m-20 -80.36 -20.03 45.07 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.761 0.315 . . . . 0.0 111.024 178.283 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 92.0 m-85 -109.4 -17.04 13.88 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.147 -178.388 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.674 HG12 HD13 ' A' ' 25' ' ' ILE . 20.5 m -128.41 148.11 32.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-O 120.513 0.197 . . . . 0.0 111.028 -178.794 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 57.8 mt-10 . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.043 178.755 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 37.8 t . . . . . 0 N--CA 1.453 -0.318 0 CA-C-O 121.204 0.526 . . . . 0.0 111.289 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.58 HG11 HD22 ' A' ' 33' ' ' LEU . 19.0 m -105.02 175.88 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 CA-C-N 115.091 -0.959 . . . . 0.0 109.317 176.829 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 12.3 p -135.47 154.71 35.63 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.928 0 N-CA-C 109.641 -0.503 . . . . 0.0 109.641 -178.915 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.409 ' HA ' ' HA ' ' A' ' 58' ' ' VAL . . . -100.36 146.79 26.55 Favored 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 112.184 0.438 . . . . 0.0 112.184 -177.107 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.654 ' HG2' ' HG2' ' A' ' 59' ' ' GLU . 62.8 mmtt -79.67 -55.71 4.82 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.911 176.192 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 83.8 m-85 -136.85 161.76 35.09 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.411 -0.359 . . . . 0.0 111.473 -175.091 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -50.75 129.53 23.11 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-N 115.398 -0.819 . . . . 0.0 112.569 176.739 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . 0.58 ' HB3' HG13 ' A' ' 25' ' ' ILE . 7.0 t80 -136.49 109.54 7.71 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 109.295 -0.631 . . . . 0.0 109.295 167.457 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.402 ' HA ' ' OD1' ' A' ' 24' ' ' ASP . 65.9 t -93.38 129.96 43.08 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.652 0 CA-C-N 115.777 -0.647 . . . . 0.0 109.923 -179.347 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -89.13 125.97 35.26 Favored 'General case' 0 C--N 1.316 -0.869 0 N-CA-C 109.407 -0.59 . . . . 0.0 109.407 179.786 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -64.7 -26.85 68.55 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.226 0.536 . . . . 0.0 110.519 -178.327 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 25.7 mm-40 -134.42 143.93 47.87 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.796 -0.638 . . . . 0.0 109.482 175.784 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.434 ' OE2' ' HE3' ' A' ' 49' ' ' LYS . 47.7 mt-10 -70.53 -1.84 12.21 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 111.893 0.331 . . . . 0.0 111.893 -179.524 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 7.4 pt20 -62.92 -27.48 69.4 Favored 'General case' 0 CA--C 1.532 0.275 0 N-CA-C 109.15 -0.685 . . . . 0.0 109.15 172.639 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.403 ' HA ' ' HA3' ' A' ' 51' ' ' GLY . 73.3 mm-40 -101.47 -176.89 3.27 Favored 'General case' 0 N--CA 1.453 -0.279 0 CA-C-N 115.161 -0.927 . . . . 0.0 109.513 178.192 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.888 ' HG ' HG23 ' A' ' 43' ' ' VAL . 0.7 OUTLIER -103.15 128.34 50.12 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-O 121.286 0.565 . . . . 0.0 110.096 -176.959 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . 0.402 ' OD1' ' HA ' ' A' ' 16' ' ' VAL . 16.0 t70 -96.89 127.1 42.53 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.57 -0.741 . . . . 0.0 110.266 179.545 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.706 HD13 HG12 ' A' ' 58' ' ' VAL . 1.0 OUTLIER -132.3 160.32 42.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 121.174 0.512 . . . . 0.0 111.315 -175.805 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.527 ' HB3' ' HB2' ' A' ' 29' ' ' GLU . 2.8 tppp? -128.54 160.29 32.81 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 109.444 -0.576 . . . . 0.0 109.444 -176.271 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.431 ' HG3' ' O ' ' A' ' 12' ' ' LYS . 83.8 tttt -55.8 124.81 18.76 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-N 117.819 0.281 . . . . 0.0 110.548 176.052 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 6.4 t30 66.43 22.51 10.71 Favored 'General case' 0 N--CA 1.466 0.367 0 CA-C-N 115.543 -0.753 . . . . 0.0 110.977 177.533 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.527 ' HB2' ' HB3' ' A' ' 26' ' ' LYS . 10.1 tp10 -88.96 144.9 25.85 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 109.821 -0.437 . . . . 0.0 109.821 177.43 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.611 ' O ' HD13 ' A' ' 31' ' ' LEU . 5.2 ptp85 -92.97 132.35 37.15 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 116.451 -0.34 . . . . 0.0 110.27 -177.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.611 HD13 ' O ' ' A' ' 30' ' ' ARG . 1.8 mm? -124.83 165.51 17.89 Favored 'General case' 0 C--N 1.322 -0.629 0 C-N-CA 120.755 -0.378 . . . . 0.0 110.205 178.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 19.6 m-90 -102.61 122.88 45.28 Favored 'General case' 0 C--N 1.319 -0.76 0 N-CA-C 109.758 -0.46 . . . . 0.0 109.758 176.766 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.58 HD22 HG11 ' A' ' 9' ' ' VAL . 35.7 tp -102.1 128.12 48.71 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.042 0.449 . . . . 0.0 111.644 -172.617 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.411 HD22 ' N ' ' A' ' 34' ' ' LEU . 1.9 mm? -109.9 -48.57 3.19 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.198 179.609 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . 0.595 ' HB2' ' HB3' ' A' ' 42' ' ' ARG . 7.3 m-20 . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.664 -177.888 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 71.5 m95 . . . . . 0 CA--C 1.518 -0.28 0 CA-C-O 121.112 0.482 . . . . 0.0 110.39 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 50.6 m0 -80.72 142.37 33.92 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.457 -0.792 . . . . 0.0 111.499 -175.047 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.595 ' HB3' ' HB2' ' A' ' 35' ' ' ASP . 42.2 ttt180 -95.26 111.38 23.25 Favored 'General case' 0 C--N 1.317 -0.832 0 CA-C-N 114.952 -1.022 . . . . 0.0 109.675 -176.454 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.888 HG23 ' HG ' ' A' ' 23' ' ' LEU . 3.9 m -132.73 168.17 24.85 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-O 121.4 0.619 . . . . 0.0 112.502 -173.351 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 39.5 ttm180 -130.29 135.31 47.96 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 114.545 -1.207 . . . . 0.0 108.666 174.458 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . 0.543 ' HB3' HD11 ' A' ' 23' ' ' LEU . 33.1 p30 -98.3 179.26 4.79 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 121.037 0.446 . . . . 0.0 111.54 -178.785 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 18.4 m -69.76 -8.61 49.55 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.671 -0.695 . . . . 0.0 111.428 -178.204 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' MET . . . . . 0.544 ' HA ' ' CE ' ' A' ' 47' ' ' MET . 2.7 tpt -91.23 4.69 51.64 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.069 0.461 . . . . 0.0 109.88 177.292 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 32.9 m-80 72.02 8.39 5.95 Favored 'General case' 0 N--CA 1.468 0.426 0 CA-C-N 115.325 -0.852 . . . . 0.0 111.476 173.094 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.434 ' HE3' ' OE2' ' A' ' 20' ' ' GLU . 74.6 mmtt -83.98 160.08 21.11 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 108.593 -0.892 . . . . 0.0 108.593 174.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . 0.511 ' HA ' HD23 ' A' ' 23' ' ' LEU . 3.4 m -135.65 152.46 51.23 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 110.041 -0.355 . . . . 0.0 110.041 -179.295 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . 0.403 ' HA3' ' HA ' ' A' ' 22' ' ' GLU . . . 171.38 -165.48 38.49 Favored Glycine 0 N--CA 1.451 -0.309 0 N-CA-C 111.528 -0.629 . . . . 0.0 111.528 -178.501 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 99.8 m-85 -107.82 152.3 24.57 Favored 'General case' 0 N--CA 1.452 -0.356 0 CA-C-O 121.122 0.487 . . . . 0.0 110.578 -179.8 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.461 HG13 ' HB3' ' A' ' 23' ' ' LEU . 23.6 m -133.65 150.72 75.6 Favored Pre-proline 0 C--N 1.322 -0.609 0 CA-C-N 115.719 -0.673 . . . . 0.0 111.399 179.301 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 58.6 Cg_endo -71.32 123.86 9.92 Favored 'Trans proline' 0 N--CA 1.464 -0.26 0 C-N-CA 123.165 2.576 . . . . 0.0 111.856 176.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 9.3 p -60.94 -22.5 64.46 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.141 0.496 . . . . 0.0 111.464 -178.816 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 14.3 m120 -69.28 -22.14 63.84 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.511 -179.216 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 83.7 m-85 -113.26 -2.1 14.14 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 111.804 0.298 . . . . 0.0 111.804 -175.535 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.706 HG12 HD13 ' A' ' 25' ' ' ILE . 27.4 m -128.8 171.18 17.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-O 120.622 0.249 . . . . 0.0 111.21 -177.507 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.654 ' HG2' ' HG2' ' A' ' 12' ' ' LYS . 13.4 mm-40 . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.616 -179.892 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.523 ' CG1' ' HB2' ' A' ' 30' ' ' ARG . 48.7 t . . . . . 0 N--CA 1.448 -0.556 0 CA-C-O 121.461 0.648 . . . . 0.0 112.092 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 12.7 m -107.94 -177.17 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.676 0 CA-C-N 114.707 -1.133 . . . . 0.0 108.866 174.435 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 13.7 p -140.9 147.84 22.29 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.662 0 O-C-N 121.954 -0.466 . . . . 0.0 110.608 -177.798 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.413 ' HB3' ' O ' ' A' ' 26' ' ' LYS . . . -89.36 145.92 25.03 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 120.887 0.375 . . . . 0.0 111.641 -178.025 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.693 ' HB2' ' HG3' ' A' ' 59' ' ' GLU . 16.7 tptm -90.03 -45.58 9.07 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.367 -178.757 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 79.3 m-85 -134.71 160.88 36.76 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.66 178.083 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 31.8 m-20 -63.09 131.3 48.09 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.733 -0.667 . . . . 0.0 111.699 179.66 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . 0.529 ' HB3' ' CG1' ' A' ' 25' ' ' ILE . 35.6 t80 -136.23 110.34 8.32 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.02 0.438 . . . . 0.0 110.107 170.835 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 39.9 t -96.17 127.96 47.8 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.772 0 N-CA-C 109.529 -0.545 . . . . 0.0 109.529 177.913 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.589 ' HB1' ' HG3' ' A' ' 22' ' ' GLU . . . -81.61 169.5 16.97 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 109.306 -0.627 . . . . 0.0 109.306 -177.639 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 10.1 mt-30 -90.24 -33.59 16.1 Favored 'General case' 0 C--N 1.316 -0.866 0 CA-C-O 121.161 0.505 . . . . 0.0 110.544 -177.389 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . 0.648 ' HB3' ' HG2' ' A' ' 21' ' ' GLN . 6.0 tp60 -140.13 158.92 43.28 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.434 -0.803 . . . . 0.0 109.274 -178.711 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -72.48 -3.61 25.43 Favored 'General case' 0 CA--C 1.535 0.394 0 C-N-CA 120.599 -0.44 . . . . 0.0 111.383 -179.061 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.648 ' HG2' ' HB3' ' A' ' 19' ' ' GLN . 13.3 pt20 -66.75 -25.69 66.62 Favored 'General case' 0 N--CA 1.463 0.187 0 CA-C-O 121.285 0.564 . . . . 0.0 109.835 174.751 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.589 ' HG3' ' HB1' ' A' ' 17' ' ' ALA . 1.2 pt-20 -108.64 179.61 4.14 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.041 -0.981 . . . . 0.0 108.956 176.419 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.543 HD11 ' HB2' ' A' ' 45' ' ' ASN . 0.6 OUTLIER -104.92 128.75 53.29 Favored 'General case' 0 C--N 1.322 -0.623 0 C-N-CA 120.339 -0.544 . . . . 0.0 109.924 -173.944 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.3 p-10 -100.37 134.09 43.83 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 109.522 -0.547 . . . . 0.0 109.522 175.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.721 HD13 HG12 ' A' ' 58' ' ' VAL . 1.0 OUTLIER -129.16 163.11 35.13 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.742 0 CA-C-O 120.954 0.406 . . . . 0.0 110.561 -175.978 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.595 ' HB3' ' HB2' ' A' ' 29' ' ' GLU . 33.8 tptt -125.84 153.68 43.76 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 108.883 -0.784 . . . . 0.0 108.883 -178.179 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.403 ' HG3' ' O ' ' A' ' 12' ' ' LYS . 79.0 tttt -59.27 129.49 42.32 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.592 0.234 . . . . 0.0 110.554 178.796 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 7.4 t30 67.71 14.45 9.5 Favored 'General case' 0 N--CA 1.467 0.408 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.984 177.548 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.595 ' HB2' ' HB3' ' A' ' 26' ' ' LYS . 9.2 tp10 -91.55 151.61 20.66 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 109.562 -0.532 . . . . 0.0 109.562 -179.789 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.62 ' O ' HD13 ' A' ' 31' ' ' LEU . 4.4 ptp180 -87.94 141.24 28.74 Favored 'General case' 0 C--N 1.314 -0.939 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.355 -177.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.62 HD13 ' O ' ' A' ' 30' ' ' ARG . 2.5 mm? -128.82 166.12 19.66 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 109.037 -0.727 . . . . 0.0 109.037 173.613 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . 0.416 ' HE3' ' O ' ' A' ' 44' ' ' ARG . 19.2 m-90 -104.52 115.92 31.19 Favored 'General case' 0 C--N 1.315 -0.932 0 N-CA-C 109.394 -0.595 . . . . 0.0 109.394 174.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.547 ' HA ' HG12 ' A' ' 43' ' ' VAL . 36.0 tp -92.55 115.81 28.44 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 120.963 0.411 . . . . 0.0 110.788 -175.219 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.418 ' HB2' ' HD2' ' A' ' 42' ' ' ARG . 1.6 mm? -93.0 -55.1 3.47 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.628 -0.715 . . . . 0.0 110.044 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 . . . . . 0 C--N 1.328 -0.351 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.149 -179.177 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' TRP . . . . . 0.467 ' HB3' ' HB3' ' A' ' 52' ' ' PHE . 26.7 m0 . . . . . 0 N--CA 1.451 -0.392 0 N-CA-C 109.028 -0.731 . . . . 0.0 109.028 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 35.0 m0 -95.63 124.96 39.9 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 120.636 0.255 . . . . 0.0 110.521 -179.334 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.418 ' HD2' ' HB2' ' A' ' 34' ' ' LEU . 16.6 ttm180 -83.08 106.91 15.27 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 109.563 -0.532 . . . . 0.0 109.563 176.794 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.547 HG12 ' HA ' ' A' ' 33' ' ' LEU . 4.4 m -128.28 160.95 37.72 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.82 0 CA-C-N 115.821 -0.627 . . . . 0.0 111.438 -177.773 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.442 ' HG3' ' O ' ' A' ' 49' ' ' LYS . 44.4 ttm180 -125.12 131.2 53.31 Favored 'General case' 0 C--N 1.316 -0.891 0 CA-C-N 115.069 -0.969 . . . . 0.0 109.349 176.756 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . 0.543 ' HB2' HD11 ' A' ' 23' ' ' LEU . 19.1 t-20 -95.62 179.92 4.96 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 108.406 -0.961 . . . . 0.0 108.406 176.709 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 9.8 p -70.49 -7.62 44.93 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.069 0.461 . . . . 0.0 111.373 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' MET . . . . . 0.44 ' C ' ' H ' ' A' ' 49' ' ' LYS . 45.8 tpp -78.51 6.58 8.29 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.759 178.653 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 25.6 m-80 74.99 -20.72 0.32 Allowed 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 123.686 0.795 . . . . 0.0 111.279 177.382 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.442 ' O ' ' HG3' ' A' ' 44' ' ' ARG . 27.7 mmmt -72.99 162.34 29.62 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.991 -177.474 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . 0.522 ' HA ' HD23 ' A' ' 23' ' ' LEU . 4.3 m -142.47 155.02 45.03 Favored 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 109.208 -0.664 . . . . 0.0 109.208 -178.329 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . 0.414 ' O ' ' HA ' ' A' ' 42' ' ' ARG . . . 179.32 -165.87 34.93 Favored Glycine 0 N--CA 1.443 -0.853 0 C-N-CA 120.77 -0.729 . . . . 0.0 111.729 179.872 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.467 ' HB3' ' HB3' ' A' ' 40' ' ' TRP . 97.3 m-85 -109.3 127.66 54.47 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 120.81 0.338 . . . . 0.0 110.201 179.894 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.443 HG13 ' HB3' ' A' ' 23' ' ' LEU . 30.1 m -113.48 155.43 44.77 Favored Pre-proline 0 C--N 1.319 -0.726 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.96 178.92 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . 0.501 ' O ' HG22 ' A' ' 58' ' ' VAL . 49.3 Cg_endo -69.16 127.82 15.64 Favored 'Trans proline' 0 C--O 1.233 0.245 0 C-N-CA 123.21 2.606 . . . . 0.0 112.76 178.715 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 45.2 t -67.33 -11.62 58.09 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.316 -179.852 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 11.2 t30 -80.08 -23.93 40.95 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.807 0.337 . . . . 0.0 111.1 178.574 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . 0.435 ' HB2' ' HG2' ' A' ' 54' ' ' PRO . 87.6 m-85 -107.33 -22.18 12.68 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 111.689 0.255 . . . . 0.0 111.689 -175.799 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.721 HG12 HD13 ' A' ' 25' ' ' ILE . 34.3 m -111.53 153.09 13.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 N-CA-C 110.309 -0.256 . . . . 0.0 110.309 177.565 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.693 ' HG3' ' HB2' ' A' ' 12' ' ' LYS . 27.7 mt-10 . . . . . 0 C--N 1.326 -0.452 0 CA-C-O 121.308 0.575 . . . . 0.0 111.169 -179.048 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 64.2 t . . . . . 0 N--CA 1.45 -0.436 0 CA-C-O 121.459 0.647 . . . . 0.0 111.639 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.557 HG11 HD22 ' A' ' 33' ' ' LEU . 12.7 m -118.0 -171.22 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.803 0 CA-C-N 114.709 -1.132 . . . . 0.0 109.227 178.211 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 13.2 p -141.26 148.54 21.21 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.687 0 O-C-N 121.928 -0.482 . . . . 0.0 110.513 179.412 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.503 ' HB1' HD12 ' A' ' 25' ' ' ILE . . . -88.03 145.36 26.02 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.88 0.371 . . . . 0.0 111.586 -179.285 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.66 ' HB2' ' HG2' ' A' ' 59' ' ' GLU . 16.9 tptm -90.19 -47.38 7.83 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.085 -178.694 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 82.7 m-85 -138.85 157.87 45.25 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.625 178.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . 0.521 ' OD2' ' HD2' ' A' ' 26' ' ' LYS . 1.9 m-20 -51.31 129.96 25.89 Favored 'General case' 0 N--CA 1.465 0.314 0 N-CA-C 112.655 0.613 . . . . 0.0 112.655 176.541 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . 0.641 ' HB3' ' CG1' ' A' ' 25' ' ' ILE . 55.3 t80 -135.73 115.11 12.58 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.905 -0.588 . . . . 0.0 109.486 169.218 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 47.1 t -93.92 126.19 46.39 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.749 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.844 -176.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.644 ' HB1' ' HB2' ' A' ' 22' ' ' GLU . . . -84.23 150.93 25.13 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 108.512 -0.922 . . . . 0.0 108.512 174.137 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -90.04 -31.11 17.32 Favored 'General case' 0 C--N 1.319 -0.718 0 C-N-CA 120.525 -0.47 . . . . 0.0 110.433 -178.563 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . 0.478 ' HB2' ' HG2' ' A' ' 21' ' ' GLN . 0.0 OUTLIER -135.37 165.12 26.19 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.437 177.376 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.425 ' HB3' ' HD2' ' A' ' 49' ' ' LYS . 59.3 mt-10 -71.89 -3.25 21.35 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.514 178.735 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.478 ' HG2' ' HB2' ' A' ' 19' ' ' GLN . 11.2 pt20 -77.79 -11.7 59.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.788 0.804 . . . . 0.0 109.316 174.68 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.644 ' HB2' ' HB1' ' A' ' 17' ' ' ALA . 26.9 mt-10 -115.47 175.93 5.3 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 114.671 -1.15 . . . . 0.0 108.502 -179.436 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.966 ' HG ' HG23 ' A' ' 43' ' ' VAL . 0.6 OUTLIER -105.48 128.15 53.39 Favored 'General case' 0 C--N 1.319 -0.726 0 C-N-CA 120.25 -0.58 . . . . 0.0 109.897 -178.151 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -98.92 128.71 45.16 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 109.572 -0.529 . . . . 0.0 109.572 178.551 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.807 HD13 HG12 ' A' ' 58' ' ' VAL . 1.0 OUTLIER -131.57 151.09 34.88 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-O 121.523 0.678 . . . . 0.0 111.266 -178.411 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.58 ' HB3' ' HB2' ' A' ' 29' ' ' GLU . 49.4 tptt -117.02 149.84 39.61 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 115.311 -0.859 . . . . 0.0 108.718 -179.275 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 86.8 tttt -55.48 125.43 20.93 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 110.011 -0.366 . . . . 0.0 110.011 175.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 10.0 t30 75.19 12.9 3.27 Favored 'General case' 0 N--CA 1.473 0.691 0 O-C-N 124.03 0.831 . . . . 0.0 111.482 178.438 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.58 ' HB2' ' HB3' ' A' ' 26' ' ' LYS . 12.4 tp10 -89.68 144.12 26.25 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 109.568 -0.53 . . . . 0.0 109.568 -179.36 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.86 HH11 ' HG2' ' A' ' 30' ' ' ARG . 0.0 OUTLIER -87.59 138.87 31.09 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 109.509 -0.552 . . . . 0.0 109.509 179.72 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.478 HD13 ' O ' ' A' ' 30' ' ' ARG . 2.3 mm? -122.5 166.95 13.96 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 109.079 -0.711 . . . . 0.0 109.079 175.326 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . 0.455 ' HB2' ' HB3' ' A' ' 44' ' ' ARG . 11.7 m-90 -102.65 126.06 49.61 Favored 'General case' 0 C--N 1.316 -0.881 0 N-CA-C 109.127 -0.694 . . . . 0.0 109.127 175.352 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.557 ' HA ' HG12 ' A' ' 43' ' ' VAL . 46.7 tp -100.51 125.67 46.87 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-O 120.933 0.397 . . . . 0.0 112.037 -171.826 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -106.7 -36.01 6.84 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.728 178.8 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 14.7 t70 . . . . . 0 C--N 1.328 -0.34 0 CA-C-O 120.622 0.249 . . . . 0.0 110.843 176.606 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 108.455 -0.943 . . . . 0.0 108.455 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' TRP . . . . . 0.51 ' O ' ' HA ' ' A' ' 52' ' ' PHE . 52.4 m0 -82.97 141.74 31.9 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 112.077 0.399 . . . . 0.0 112.077 -170.863 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 37.0 ttm-85 -91.16 115.69 28.22 Favored 'General case' 0 C--O 1.238 0.477 0 CA-C-N 116.226 -0.443 . . . . 0.0 109.9 174.622 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.966 HG23 ' HG ' ' A' ' 23' ' ' LEU . 5.7 m -133.26 166.76 28.31 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.745 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.392 -179.301 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.455 ' HB3' ' HB2' ' A' ' 32' ' ' TRP . 59.4 ttp180 -124.78 125.76 44.54 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.132 -0.94 . . . . 0.0 109.246 176.806 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . 0.482 ' H ' HD21 ' A' ' 23' ' ' LEU . 53.6 t30 -84.6 170.87 12.94 Favored 'General case' 0 C--N 1.318 -0.779 0 N-CA-C 110.102 -0.333 . . . . 0.0 110.102 -179.181 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 20.2 t -67.18 -20.39 65.72 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.106 0.479 . . . . 0.0 110.29 -178.537 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' MET . . . . . 0.481 ' HA ' ' CE ' ' A' ' 47' ' ' MET . 3.0 tpt -80.29 6.7 11.27 Favored 'General case' 0 CA--C 1.532 0.255 0 CA-C-O 121.113 0.482 . . . . 0.0 110.084 177.394 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 29.9 m-80 69.59 12.47 8.15 Favored 'General case' 0 N--CA 1.468 0.469 0 CA-C-N 115.645 -0.707 . . . . 0.0 111.628 174.277 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.425 ' HD2' ' HB3' ' A' ' 20' ' ' GLU . 71.7 mmtt -82.38 156.03 24.4 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 108.774 -0.825 . . . . 0.0 108.774 175.087 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . 0.42 ' HA ' HD23 ' A' ' 23' ' ' LEU . 1.9 m -131.44 152.19 50.89 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 120.866 0.365 . . . . 0.0 110.745 179.124 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 172.39 -161.01 32.54 Favored Glycine 0 N--CA 1.446 -0.674 0 N-CA-C 111.33 -0.708 . . . . 0.0 111.33 -179.715 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.51 ' HA ' ' O ' ' A' ' 41' ' ' TRP . 93.8 m-85 -118.63 147.84 43.33 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 109.733 -0.469 . . . . 0.0 109.733 179.757 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.582 HG23 HG21 ' A' ' 58' ' ' VAL . 13.9 m -130.55 150.72 77.11 Favored Pre-proline 0 C--N 1.321 -0.666 0 CA-C-N 116.129 -0.487 . . . . 0.0 112.221 -176.772 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . 0.585 ' HG2' ' HB2' ' A' ' 57' ' ' TYR . 30.3 Cg_endo -63.97 122.23 10.19 Favored 'Trans proline' 0 C--N 1.345 0.371 0 C-N-CA 123.515 2.81 . . . . 0.0 112.468 177.788 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 46.7 t -63.77 -12.86 39.01 Favored 'General case' 0 CA--C 1.534 0.36 0 CA-C-N 116.113 -0.494 . . . . 0.0 112.262 -175.69 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -88.72 -21.97 23.59 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 122.22 -0.3 . . . . 0.0 111.522 179.022 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . 0.585 ' HB2' ' HG2' ' A' ' 54' ' ' PRO . 83.9 m-85 -102.38 -16.65 16.16 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.812 0.339 . . . . 0.0 111.046 -177.496 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.807 HG12 HD13 ' A' ' 25' ' ' ILE . 35.4 m -116.27 151.11 18.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-O 120.936 0.398 . . . . 0.0 110.548 177.785 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.66 ' HG2' ' HB2' ' A' ' 12' ' ' LYS . 5.8 mm-40 . . . . . 0 C--N 1.322 -0.59 0 CA-C-N 115.716 -0.675 . . . . 0.0 109.619 -177.606 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 54.6 t . . . . . 0 CA--C 1.517 -0.306 0 CA-C-O 121.705 0.764 . . . . 0.0 111.409 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.568 ' HB ' ' O ' ' A' ' 59' ' ' GLU . 17.3 m -111.54 177.95 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.316 -0.869 0 CA-C-N 114.565 -1.198 . . . . 0.0 109.418 178.796 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.441 ' HA ' ' HA ' ' A' ' 30' ' ' ARG . 9.6 p -140.95 138.96 34.38 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.791 0 CA-C-O 121.1 0.476 . . . . 0.0 110.382 179.846 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.467 ' HA ' ' HA ' ' A' ' 58' ' ' VAL . . . -87.67 142.81 27.55 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.787 -178.551 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.491 ' O ' ' HG3' ' A' ' 27' ' ' LYS . 0.1 OUTLIER -89.08 -40.47 12.92 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.647 -179.481 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 66.4 m-85 -129.73 152.97 48.65 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.053 0.454 . . . . 0.0 111.655 -179.507 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . 0.424 ' OD1' ' HG3' ' A' ' 26' ' ' LYS . 12.6 m-20 -59.65 133.33 56.0 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.26 -0.882 . . . . 0.0 111.781 179.237 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . 0.605 ' HB3' ' CG1' ' A' ' 25' ' ' ILE . 42.7 t80 -135.76 111.77 9.58 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 109.655 -0.498 . . . . 0.0 109.655 172.106 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 57.3 t -82.02 133.01 30.11 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.378 -179.202 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.55 ' HB1' ' HB2' ' A' ' 22' ' ' GLU . . . -84.18 130.6 34.83 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 109.172 -0.677 . . . . 0.0 109.172 178.227 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.49 ' HB2' HE21 ' A' ' 18' ' ' GLN . 9.7 mt-30 -65.93 -44.98 83.51 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-O 120.883 0.373 . . . . 0.0 110.881 -177.896 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . 0.672 ' HB2' ' HG2' ' A' ' 21' ' ' GLN . 27.3 mm-40 -140.57 173.54 11.4 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 177.809 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -71.52 -3.17 19.77 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.784 0.326 . . . . 0.0 111.064 -179.808 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.672 ' HG2' ' HB2' ' A' ' 19' ' ' GLN . 13.0 pt20 -71.94 -24.84 61.68 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 121.484 0.659 . . . . 0.0 109.639 171.237 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.55 ' HB2' ' HB1' ' A' ' 17' ' ' ALA . 3.4 mm-40 -98.4 177.28 5.4 Favored 'General case' 0 N--CA 1.448 -0.565 0 CA-C-N 114.947 -1.024 . . . . 0.0 108.839 -178.051 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.811 ' HG ' HG23 ' A' ' 43' ' ' VAL . 1.3 tm? -108.55 128.54 54.91 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 108.501 -0.926 . . . . 0.0 108.501 175.671 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 3.5 p-10 -94.55 128.99 41.52 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.197 0.522 . . . . 0.0 110.13 -179.532 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.766 HD13 HG12 ' A' ' 58' ' ' VAL . 1.0 OUTLIER -132.66 171.99 17.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.482 -179.484 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.539 ' HB3' ' HB2' ' A' ' 29' ' ' GLU . 0.0 OUTLIER -140.39 165.56 27.1 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 109.559 -0.534 . . . . 0.0 109.559 -175.606 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.491 ' HG3' ' O ' ' A' ' 12' ' ' LYS . 84.4 tttt -65.49 126.43 28.26 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 109.489 -0.56 . . . . 0.0 109.489 173.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 68.05 27.07 7.1 Favored 'General case' 0 N--CA 1.468 0.442 0 CA-C-O 121.358 0.599 . . . . 0.0 109.921 -179.582 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.539 ' HB2' ' HB3' ' A' ' 26' ' ' LYS . 4.8 tp10 -96.82 131.23 43.76 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 109.08 -0.711 . . . . 0.0 109.08 177.367 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.556 ' O ' HD13 ' A' ' 31' ' ' LEU . 15.4 ptt180 -92.14 130.66 37.81 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 120.976 0.417 . . . . 0.0 110.269 179.594 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.556 HD13 ' O ' ' A' ' 30' ' ' ARG . 1.3 mm? -122.14 165.75 15.63 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 116.011 -0.541 . . . . 0.0 109.705 -177.558 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 19.9 m-90 -99.66 121.2 40.88 Favored 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 109.871 -0.418 . . . . 0.0 109.871 178.483 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.628 ' HA ' HG12 ' A' ' 43' ' ' VAL . 44.8 tp -98.47 125.5 43.69 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.175 0.512 . . . . 0.0 111.502 -174.275 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -103.32 -52.69 2.96 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.219 179.498 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . 0.492 ' OD2' ' HD3' ' A' ' 42' ' ' ARG . 26.5 m-20 . . . . . 0 C--N 1.331 -0.198 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.804 -178.575 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' TRP . . . . . 0.428 ' CB ' ' HB3' ' A' ' 52' ' ' PHE . 11.0 m0 . . . . . 0 C--O 1.232 0.165 0 N-CA-C 109.89 -0.411 . . . . 0.0 109.89 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 45.4 m0 -74.69 139.55 43.57 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 121.295 0.569 . . . . 0.0 111.085 -175.003 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.492 ' HD3' ' OD2' ' A' ' 35' ' ' ASP . 33.3 ttt180 -97.86 108.31 20.99 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.308 -0.86 . . . . 0.0 109.93 -175.637 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.811 HG23 ' HG ' ' A' ' 23' ' ' LEU . 5.0 m -132.91 164.43 35.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-O 121.449 0.642 . . . . 0.0 112.441 -174.078 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.556 ' HG2' ' O ' ' A' ' 49' ' ' LYS . 0.3 OUTLIER -131.8 127.53 36.85 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 107.821 -1.177 . . . . 0.0 107.821 175.206 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . 0.664 ' HB3' HD11 ' A' ' 23' ' ' LEU . 39.7 p-10 -103.39 -175.62 2.85 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 121.082 0.468 . . . . 0.0 111.88 -170.326 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 5.4 p -71.41 -15.08 62.34 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-N 115.831 -0.622 . . . . 0.0 111.882 -178.167 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' MET . . . . . 0.442 ' HG3' ' HG2' ' A' ' 49' ' ' LYS . 16.9 tpt -78.56 -1.85 35.98 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.196 0.522 . . . . 0.0 109.803 176.525 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 25.6 m-80 70.08 21.17 6.17 Favored 'General case' 0 N--CA 1.463 0.18 0 CA-C-N 115.272 -0.876 . . . . 0.0 110.726 176.218 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.556 ' O ' ' HG2' ' A' ' 44' ' ' ARG . 75.3 mmtt -102.1 167.36 10.07 Favored 'General case' 0 N--CA 1.449 -0.504 0 N-CA-C 109.569 -0.53 . . . . 0.0 109.569 177.631 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . 0.446 ' HA ' HD23 ' A' ' 23' ' ' LEU . 2.7 m -139.73 149.41 43.59 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 120.869 0.366 . . . . 0.0 110.74 178.051 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 175.68 -160.47 28.79 Favored Glycine 0 N--CA 1.446 -0.643 0 CA-C-N 115.636 -0.711 . . . . 0.0 111.342 -178.192 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.428 ' HB3' ' CB ' ' A' ' 40' ' ' TRP . 95.9 m-85 -114.75 142.26 46.76 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.797 0.332 . . . . 0.0 110.146 -179.413 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.537 HG13 ' HB3' ' A' ' 23' ' ' LEU . 15.7 m -125.71 150.24 67.85 Favored Pre-proline 0 C--N 1.321 -0.666 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.726 -178.739 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . 0.554 ' O ' HG22 ' A' ' 58' ' ' VAL . 54.5 Cg_endo -70.11 128.28 15.49 Favored 'Trans proline' 0 CA--C 1.53 0.288 0 C-N-CA 123.098 2.532 . . . . 0.0 112.598 177.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 12.6 p -68.07 -10.98 58.11 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.919 -0.582 . . . . 0.0 112.034 -176.687 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 95.1 m-20 -84.97 -19.03 32.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.734 0.302 . . . . 0.0 111.308 179.396 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . 0.447 ' HB2' ' HG2' ' A' ' 54' ' ' PRO . 50.8 m-85 -108.37 -27.67 9.84 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.527 -0.306 . . . . 0.0 110.61 -177.916 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.766 HG12 HD13 ' A' ' 25' ' ' ILE . 28.9 m -109.45 149.27 12.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 N-CA-C 109.794 -0.447 . . . . 0.0 109.794 176.753 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.568 ' O ' ' HB ' ' A' ' 9' ' ' VAL . 38.2 mt-10 . . . . . 0 C--N 1.32 -0.675 0 CA-C-O 121.015 0.436 . . . . 0.0 111.025 -178.769 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 81.1 t . . . . . 0 N--CA 1.45 -0.437 0 CA-C-O 121.778 0.799 . . . . 0.0 112.109 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.521 ' HB ' ' O ' ' A' ' 59' ' ' GLU . 5.8 m -116.39 178.04 1.97 Allowed 'Isoleucine or valine' 0 C--N 1.313 -1.017 0 CA-C-N 114.199 -1.364 . . . . 0.0 109.312 177.199 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 14.8 p -136.48 147.74 27.51 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.735 0 C-N-CA 120.72 -0.392 . . . . 0.0 110.312 -179.645 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.493 ' HB1' HD12 ' A' ' 25' ' ' ILE . . . -83.92 144.35 29.25 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 121.081 0.467 . . . . 0.0 111.919 -178.13 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 2.7 ttmm -88.85 -46.84 8.63 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.513 -0.767 . . . . 0.0 110.537 178.493 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.459 ' HB2' ' HD2' ' A' ' 57' ' ' TYR . 39.3 m-85 -138.27 157.08 46.98 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 109.484 -0.561 . . . . 0.0 109.484 174.76 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . 0.663 ' HB3' ' HD2' ' A' ' 26' ' ' LYS . 0.4 OUTLIER -69.02 138.53 54.56 Favored 'General case' 0 N--CA 1.446 -0.648 0 CA-C-O 121.85 0.834 . . . . 0.0 112.725 -177.368 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 9.7 t80 -137.11 111.31 8.42 Favored 'General case' 0 C--N 1.316 -0.863 0 CA-C-N 114.293 -1.321 . . . . 0.0 109.343 174.368 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 58.5 t -94.18 118.31 39.85 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.704 0 CA-C-O 121.096 0.474 . . . . 0.0 110.648 179.114 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -85.25 116.84 23.83 Favored 'General case' 0 N--CA 1.443 -0.781 0 N-CA-C 108.77 -0.826 . . . . 0.0 108.77 175.28 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 6.3 mt-30 -62.71 -30.93 71.78 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.444 0.64 . . . . 0.0 110.227 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . 0.473 ' HB3' ' HG2' ' A' ' 21' ' ' GLN . 7.3 mm100 -102.09 120.31 40.23 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.151 -0.931 . . . . 0.0 109.462 179.772 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 34.7 mt-10 -71.4 -7.58 48.21 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-O 120.742 0.306 . . . . 0.0 111.502 -177.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.473 ' HG2' ' HB3' ' A' ' 19' ' ' GLN . 4.1 pt20 -66.56 -20.27 65.98 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.188 0.518 . . . . 0.0 109.816 171.28 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 72.8 mm-40 -104.24 -177.13 3.28 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.183 -0.917 . . . . 0.0 109.172 175.249 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.733 HD21 ' H ' ' A' ' 45' ' ' ASN . 0.6 OUTLIER -104.17 127.39 51.78 Favored 'General case' 0 N--CA 1.444 -0.758 0 C-N-CA 120.027 -0.669 . . . . 0.0 110.407 -174.892 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -99.59 130.16 45.8 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.78 -0.646 . . . . 0.0 109.759 175.43 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.751 HD13 HG12 ' A' ' 58' ' ' VAL . 1.3 pt -127.37 159.71 37.4 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-O 121.048 0.452 . . . . 0.0 110.625 -177.747 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.663 ' HD2' ' HB3' ' A' ' 14' ' ' ASP . 25.3 tptp -126.22 152.64 45.79 Favored 'General case' 0 C--N 1.316 -0.858 0 N-CA-C 109.129 -0.693 . . . . 0.0 109.129 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.47 ' H ' ' HB3' ' A' ' 14' ' ' ASP . 78.7 tttt -56.16 127.43 30.66 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 110.274 -0.269 . . . . 0.0 110.274 177.918 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 69.57 23.29 5.97 Favored 'General case' 0 CA--C 1.535 0.375 0 O-C-N 123.954 0.784 . . . . 0.0 110.934 178.664 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 11.2 tp10 -99.23 147.1 25.49 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 109.252 -0.647 . . . . 0.0 109.252 176.853 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.59 ' O ' HD13 ' A' ' 31' ' ' LEU . 2.0 ptm180 -95.0 135.82 36.06 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-O 120.693 0.282 . . . . 0.0 110.281 -177.882 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.59 HD13 ' O ' ' A' ' 30' ' ' ARG . 1.6 mm? -123.97 167.97 13.44 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 109.337 -0.616 . . . . 0.0 109.337 179.229 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . 0.567 ' HB2' ' HB3' ' A' ' 44' ' ' ARG . 28.7 m-90 -105.4 125.01 50.5 Favored 'General case' 0 C--N 1.317 -0.841 0 N-CA-C 109.374 -0.602 . . . . 0.0 109.374 174.612 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.584 ' HA ' HG12 ' A' ' 43' ' ' VAL . 41.1 tp -97.18 116.39 29.29 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 121.02 0.438 . . . . 0.0 111.33 -173.554 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -102.34 -33.64 9.5 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.064 -178.287 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . 0.558 ' HB3' ' HB3' ' A' ' 42' ' ' ARG . 31.1 t70 . . . . . 0 C--N 1.327 -0.394 0 CA-C-N 116.409 -0.36 . . . . 0.0 111.258 -174.282 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' TRP . . . . . 0.566 ' N ' ' HG ' ' A' ' 55' ' ' SER . 76.5 m95 . . . . . 0 N--CA 1.468 0.436 0 CA-C-O 121.638 0.732 . . . . 0.0 110.876 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 48.3 m0 -98.2 155.9 16.95 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.156 -176.375 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.558 ' HB3' ' HB3' ' A' ' 35' ' ' ASP . 33.5 ttt180 -103.16 112.92 26.01 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 109.701 -0.481 . . . . 0.0 109.701 179.579 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.628 HG23 ' HG ' ' A' ' 23' ' ' LEU . 10.9 m -128.27 164.93 28.79 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-O 121.61 0.719 . . . . 0.0 112.231 -173.627 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.567 ' HB3' ' HB2' ' A' ' 32' ' ' TRP . 23.5 ttm180 -114.79 128.78 56.5 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 114.692 -1.14 . . . . 0.0 108.807 174.799 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . 0.733 ' H ' HD21 ' A' ' 23' ' ' LEU . 50.6 t30 -90.89 169.66 10.73 Favored 'General case' 0 C--N 1.317 -0.845 0 N-CA-C 109.384 -0.598 . . . . 0.0 109.384 176.261 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 4.7 p -68.8 -7.71 36.69 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.61 -176.448 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 44.6 tpp -91.75 14.53 15.08 Favored 'General case' 0 CA--C 1.536 0.413 0 CA-C-O 121.197 0.522 . . . . 0.0 109.871 176.902 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 47.3 m-80 69.47 14.42 8.37 Favored 'General case' 0 N--CA 1.47 0.563 0 CA-C-N 115.42 -0.809 . . . . 0.0 112.674 169.676 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 47.4 mtmt -97.33 164.32 12.52 Favored 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 109.736 -0.468 . . . . 0.0 109.736 176.049 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . 0.401 ' HA ' HD23 ' A' ' 23' ' ' LEU . 4.1 m -137.14 153.58 50.46 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 110.182 -0.303 . . . . 0.0 110.182 178.277 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 173.7 -172.44 45.25 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 121.224 -0.512 . . . . 0.0 112.044 -179.121 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 65.7 m-85 -100.02 139.73 35.26 Favored 'General case' 0 CA--C 1.516 -0.349 0 CA-C-O 121.191 0.52 . . . . 0.0 110.305 179.421 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.477 HG13 ' HB3' ' A' ' 23' ' ' LEU . 22.6 m -125.41 148.72 62.2 Favored Pre-proline 0 C--N 1.318 -0.801 0 CA-C-N 115.392 -0.822 . . . . 0.0 111.192 179.579 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . 0.417 ' O ' HG22 ' A' ' 58' ' ' VAL . 30.1 Cg_endo -62.65 118.76 5.65 Favored 'Trans proline' 0 N--CA 1.464 -0.257 0 C-N-CA 123.066 2.511 . . . . 0.0 111.968 178.509 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . 0.566 ' HG ' ' N ' ' A' ' 40' ' ' TRP . 1.9 p -65.65 -11.13 42.1 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.641 -178.614 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 14.6 m120 -76.12 -23.2 54.88 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.87 176.661 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . 0.459 ' HD2' ' HB2' ' A' ' 13' ' ' PHE . 90.1 m-85 -115.08 -10.23 12.23 Favored 'General case' 0 N--CA 1.452 -0.358 0 CA-C-N 116.356 -0.383 . . . . 0.0 111.776 -172.917 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.751 HG12 HD13 ' A' ' 25' ' ' ILE . 32.8 m -115.14 154.98 16.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-O 120.703 0.287 . . . . 0.0 110.801 -179.744 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.521 ' O ' ' HB ' ' A' ' 9' ' ' VAL . 8.6 mm-40 . . . . . 0 C--N 1.325 -0.472 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.929 -175.137 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 40.8 t . . . . . 0 N--CA 1.449 -0.507 0 CA-C-O 121.339 0.59 . . . . 0.0 112.152 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.653 ' HB ' ' O ' ' A' ' 59' ' ' GLU . 17.0 m -105.02 -174.93 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.706 0 CA-C-N 114.856 -1.066 . . . . 0.0 109.043 176.553 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 14.4 p -139.97 148.77 22.49 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 O-C-N 121.874 -0.516 . . . . 0.0 110.423 -178.918 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.572 ' HA ' ' HA ' ' A' ' 58' ' ' VAL . . . -94.56 145.69 24.64 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 121.257 0.551 . . . . 0.0 111.618 -178.199 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 4.6 tppp? -89.9 -48.99 6.87 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.527 -0.76 . . . . 0.0 110.461 -179.627 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 49.7 m-85 -129.48 155.64 45.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.112 0.482 . . . . 0.0 111.393 -176.746 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . 0.461 ' OD1' ' HG3' ' A' ' 26' ' ' LYS . 11.5 m-20 -61.64 133.57 55.77 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 114.924 -1.035 . . . . 0.0 111.268 178.531 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . 0.542 ' HB3' HG13 ' A' ' 25' ' ' ILE . 24.9 t80 -135.93 112.7 10.18 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.396 0.617 . . . . 0.0 110.482 175.074 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 48.0 t -84.86 129.14 38.21 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.155 178.888 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.56 ' HB1' ' HB2' ' A' ' 22' ' ' GLU . . . -91.3 177.91 6.11 Favored 'General case' 0 N--CA 1.449 -0.5 0 CA-C-N 116.196 -0.456 . . . . 0.0 109.839 -178.545 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 30.9 mt-30 -90.35 -58.52 2.47 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.08 0.467 . . . . 0.0 110.85 179.204 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 3.5 mm-40 -143.52 -174.75 4.32 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.192 -179.335 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 31.7 tt0 -65.12 -13.54 58.34 Favored 'General case' 0 CA--C 1.535 0.379 0 CA-C-O 121.425 0.631 . . . . 0.0 110.626 178.328 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.485 ' HG3' ' HG2' ' A' ' 22' ' ' GLU . 13.8 pt20 -68.19 -21.3 64.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.467 0.651 . . . . 0.0 110.072 174.173 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.56 ' HB2' ' HB1' ' A' ' 17' ' ' ALA . 6.4 mm-40 -108.94 -179.2 3.79 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.269 -0.878 . . . . 0.0 108.963 -179.23 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.788 HD11 ' HB3' ' A' ' 45' ' ' ASN . 0.9 OUTLIER -113.6 129.3 56.59 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 109.272 -0.64 . . . . 0.0 109.272 175.134 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 8.1 p-10 -101.21 130.92 47.41 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 120.974 0.416 . . . . 0.0 110.407 177.881 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.692 HD13 HG12 ' A' ' 58' ' ' VAL . 1.0 OUTLIER -131.71 165.69 31.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.217 -178.673 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.461 ' HG3' ' OD1' ' A' ' 14' ' ' ASP . 7.2 tptm -135.69 164.85 26.94 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 110.101 -0.333 . . . . 0.0 110.101 -177.703 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 79.7 tttt -60.67 125.99 25.77 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.636 0.255 . . . . 0.0 110.462 177.723 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 66.73 25.91 9.65 Favored 'General case' 0 N--CA 1.469 0.487 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.721 178.408 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 10.6 tp10 -94.31 145.96 24.37 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 109.076 -0.713 . . . . 0.0 109.076 176.18 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.657 ' O ' HD13 ' A' ' 31' ' ' LEU . 9.8 ptp180 -94.69 139.33 31.38 Favored 'General case' 0 C--N 1.32 -0.71 0 N-CA-C 109.376 -0.601 . . . . 0.0 109.376 -179.867 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.657 HD13 ' O ' ' A' ' 30' ' ' ARG . 2.0 mm? -127.85 163.82 23.57 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.884 0.374 . . . . 0.0 110.277 178.485 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . 0.598 ' HB2' ' HB3' ' A' ' 44' ' ' ARG . 6.8 m-90 -98.09 117.71 33.07 Favored 'General case' 0 C--N 1.317 -0.838 0 N-CA-C 109.341 -0.614 . . . . 0.0 109.341 176.297 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.518 ' HA ' HG12 ' A' ' 43' ' ' VAL . 25.5 tp -96.83 113.47 25.02 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.07 0.462 . . . . 0.0 111.049 -177.119 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -98.75 -58.58 1.92 Allowed 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.271 -179.397 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . 0.629 ' HB2' ' HB3' ' A' ' 42' ' ' ARG . 3.0 m-20 . . . . . 0 C--N 1.328 -0.36 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.611 -177.483 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 4.6 m-90 . . . . . 0 C--O 1.234 0.274 0 CA-C-O 120.98 0.419 . . . . 0.0 110.921 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' TRP . . . . . 0.563 ' CE3' HG23 ' A' ' 58' ' ' VAL . 9.5 m0 -121.43 130.08 53.37 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.609 174.539 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.629 ' HB3' ' HB2' ' A' ' 35' ' ' ASP . 39.5 ttt180 -87.75 104.64 16.75 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.569 -0.742 . . . . 0.0 109.144 179.467 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.582 HG23 ' HG ' ' A' ' 23' ' ' LEU . 7.7 m -129.23 157.36 42.05 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 CA-C-N 115.788 -0.642 . . . . 0.0 112.288 -173.138 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.598 ' HB3' ' HB2' ' A' ' 32' ' ' TRP . 44.0 ttt180 -111.58 132.08 54.8 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 114.786 -1.097 . . . . 0.0 108.862 172.78 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . 0.788 ' HB3' HD11 ' A' ' 23' ' ' LEU . 40.0 p-10 -98.78 -174.57 2.82 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 120.969 0.414 . . . . 0.0 111.69 -175.83 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 21.7 m -65.84 -19.73 65.99 Favored 'General case' 0 CA--C 1.531 0.217 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.526 -179.261 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' MET . . . . . 0.436 ' HA ' ' CE ' ' A' ' 47' ' ' MET . 3.5 tpt -84.12 4.97 27.97 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-O 121.23 0.538 . . . . 0.0 109.801 176.363 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . 0.578 ' HA ' ' HE ' ' A' ' 44' ' ' ARG . 23.2 m-80 65.57 16.95 10.75 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-N 115.331 -0.849 . . . . 0.0 111.118 175.29 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.55 ' O ' ' HA ' ' A' ' 44' ' ' ARG . 46.2 mmtm -93.51 168.92 10.73 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 109.093 -0.706 . . . . 0.0 109.093 177.546 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . 0.418 ' CA ' HD23 ' A' ' 23' ' ' LEU . 7.2 m -139.39 150.8 45.72 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 121.101 0.477 . . . . 0.0 111.014 -178.642 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 179.61 -166.52 35.85 Favored Glycine 0 N--CA 1.444 -0.767 0 CA-C-N 115.103 -0.953 . . . . 0.0 111.101 -178.302 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 91.9 m-85 -110.3 127.51 55.06 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 120.982 0.42 . . . . 0.0 111.09 -179.387 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.523 HG13 ' HB3' ' A' ' 23' ' ' LEU . 28.6 m -118.25 160.19 40.4 Favored Pre-proline 0 C--N 1.324 -0.502 0 CA-C-N 115.546 -0.752 . . . . 0.0 111.231 179.646 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . 0.664 ' HG2' ' HB2' ' A' ' 57' ' ' TYR . 41.4 Cg_endo -68.26 126.01 13.73 Favored 'Trans proline' 0 C--N 1.344 0.305 0 C-N-CA 122.85 2.367 . . . . 0.0 112.129 176.499 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 20.2 m -66.74 -9.29 35.05 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.882 -0.599 . . . . 0.0 112.047 -177.051 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 94.1 m-20 -90.0 -25.63 20.76 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.832 0.349 . . . . 0.0 111.34 178.726 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . 0.664 ' HB2' ' HG2' ' A' ' 54' ' ' PRO . 37.1 m-85 -94.59 -22.4 18.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.563 -0.289 . . . . 0.0 110.742 -177.539 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.692 HG12 HD13 ' A' ' 25' ' ' ILE . 33.4 m -116.73 148.23 19.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 N-CA-C 109.241 -0.652 . . . . 0.0 109.241 173.569 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.653 ' O ' ' HB ' ' A' ' 9' ' ' VAL . 49.2 mt-10 . . . . . 0 C--N 1.326 -0.423 0 CA-C-O 121.119 0.485 . . . . 0.0 111.76 -175.673 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 55.7 t . . . . . 0 N--CA 1.452 -0.336 0 CA-C-O 121.273 0.559 . . . . 0.0 111.218 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.449 HG23 ' HB2' ' A' ' 31' ' ' LEU . 7.4 m -116.31 -177.52 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.317 -0.835 0 CA-C-N 115.166 -0.924 . . . . 0.0 109.709 177.904 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 14.5 p -140.56 151.12 20.77 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 CA-C-O 120.843 0.354 . . . . 0.0 110.409 -177.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -92.81 141.62 28.24 Favored 'General case' 0 C--N 1.319 -0.731 0 N-CA-C 112.18 0.437 . . . . 0.0 112.18 -178.58 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.487 ' HB2' ' CG ' ' A' ' 59' ' ' GLU . 33.0 ttmt -79.19 -52.72 7.78 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.015 177.262 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 58.5 m-85 -133.31 163.95 28.18 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.432 -0.804 . . . . 0.0 109.67 177.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . 0.62 ' HB3' ' HD2' ' A' ' 26' ' ' LYS . 0.6 OUTLIER -68.79 141.93 55.05 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.564 0.697 . . . . 0.0 112.265 179.461 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . 0.59 ' HB3' ' CG1' ' A' ' 25' ' ' ILE . 11.9 t80 -137.43 111.36 8.29 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 114.634 -1.166 . . . . 0.0 109.82 176.258 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 43.8 t -86.49 133.79 28.96 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.814 0 CA-C-N 116.052 -0.522 . . . . 0.0 109.803 177.668 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.415 ' HB1' ' HB2' ' A' ' 22' ' ' GLU . . . -92.36 157.97 16.34 Favored 'General case' 0 N--CA 1.443 -0.782 0 N-CA-C 109.405 -0.591 . . . . 0.0 109.405 -175.794 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -63.18 -53.78 47.89 Favored 'General case' 0 C--N 1.316 -0.887 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.501 -178.393 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 48.6 mm-40 -147.44 -176.25 5.16 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.225 177.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.722 ' HG2' ' HD3' ' A' ' 49' ' ' LYS . 2.6 tm-20 -63.74 -16.62 61.6 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 123.163 0.585 . . . . 0.0 111.413 -177.2 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.548 ' HG3' ' HG2' ' A' ' 22' ' ' GLU . 14.4 pt20 -59.19 -30.08 67.94 Favored 'General case' 0 CA--C 1.536 0.416 0 CA-C-N 115.917 -0.583 . . . . 0.0 112.13 175.581 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.548 ' HG2' ' HG3' ' A' ' 21' ' ' GLN . 62.1 mm-40 -110.63 -177.1 3.14 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.535 -0.302 . . . . 0.0 110.432 -176.428 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.841 ' HG ' HG23 ' A' ' 43' ' ' VAL . 0.6 OUTLIER -103.7 128.29 51.07 Favored 'General case' 0 N--CA 1.451 -0.41 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 -177.187 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 7.8 p-10 -101.4 133.61 45.76 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 109.398 -0.593 . . . . 0.0 109.398 176.68 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.749 HD13 HG12 ' A' ' 58' ' ' VAL . 1.1 pt -130.9 158.24 43.22 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.679 0 C-N-CA 120.612 -0.435 . . . . 0.0 110.745 -177.48 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.62 ' HD2' ' HB3' ' A' ' 14' ' ' ASP . 59.5 tptt -125.18 152.75 44.09 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 109.106 -0.701 . . . . 0.0 109.106 -177.267 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.452 ' HG3' ' O ' ' A' ' 12' ' ' LYS . 60.3 tttm -57.29 130.46 46.31 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 110.329 -0.249 . . . . 0.0 110.329 178.422 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 17.3 t30 70.4 17.01 7.03 Favored 'General case' 0 CA--C 1.537 0.464 0 O-C-N 123.858 0.724 . . . . 0.0 110.761 177.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -96.96 149.36 21.98 Favored 'General case' 0 C--N 1.328 -0.365 0 O-C-N 121.609 -0.682 . . . . 0.0 110.228 179.561 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.654 ' O ' HD13 ' A' ' 31' ' ' LEU . 6.4 ptp180 -90.38 143.18 27.0 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.215 -177.038 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.654 HD13 ' O ' ' A' ' 30' ' ' ARG . 2.5 mm? -129.71 166.32 20.07 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 109.869 -0.419 . . . . 0.0 109.869 174.549 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 15.4 m-90 -104.77 121.44 43.63 Favored 'General case' 0 C--N 1.316 -0.864 0 N-CA-C 109.204 -0.665 . . . . 0.0 109.204 174.099 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.552 ' HA ' HG12 ' A' ' 43' ' ' VAL . 35.5 tp -96.62 118.11 32.4 Favored 'General case' 0 C--N 1.316 -0.853 0 CA-C-O 120.962 0.411 . . . . 0.0 110.998 -174.359 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -98.44 -46.91 5.59 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.925 -178.407 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 37.7 t70 . . . . . 0 C--N 1.326 -0.428 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.922 -177.559 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' TRP . . . . . 0.436 ' HA ' ' O ' ' A' ' 53' ' ' VAL . 98.3 m95 . . . . . 0 N--CA 1.463 0.212 0 CA-C-O 121.383 0.611 . . . . 0.0 111.264 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' TRP . . . . . 0.479 ' O ' ' HA ' ' A' ' 52' ' ' PHE . 12.7 m0 -94.97 151.51 19.12 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.35 -0.841 . . . . 0.0 110.884 179.737 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 52.8 ttt180 -101.68 108.43 19.96 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 109.082 -0.71 . . . . 0.0 109.082 173.839 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.841 HG23 ' HG ' ' A' ' 23' ' ' LEU . 6.1 m -122.83 163.47 21.49 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.676 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.996 -173.53 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 11.9 ttp180 -119.38 127.52 53.22 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 114.985 -1.007 . . . . 0.0 109.018 176.467 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . 0.752 ' HB3' HD11 ' A' ' 23' ' ' LEU . 37.6 p-10 -98.25 -177.73 3.81 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-O 120.696 0.284 . . . . 0.0 111.093 -177.648 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 2.4 p -71.02 -13.6 62.05 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.715 -178.002 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 16.1 tpt -80.35 0.93 30.91 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 109.577 -0.527 . . . . 0.0 109.577 175.038 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 23.7 m-80 69.87 15.93 7.82 Favored 'General case' 0 N--CA 1.469 0.517 0 CA-C-N 115.452 -0.795 . . . . 0.0 110.67 176.738 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.833 ' HE2' ' HA ' ' A' ' 49' ' ' LYS . 7.8 mmpt? -93.78 168.13 11.2 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.474 -0.784 . . . . 0.0 110.011 179.765 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . 0.497 ' HA ' HD23 ' A' ' 23' ' ' LEU . 3.0 m -141.08 150.72 43.29 Favored 'General case' 0 C--N 1.317 -0.845 0 CA-C-O 120.894 0.378 . . . . 0.0 110.758 179.444 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 177.26 -173.1 45.95 Favored Glycine 0 N--CA 1.446 -0.699 0 CA-C-N 115.824 -0.625 . . . . 0.0 111.678 -178.083 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.479 ' HA ' ' O ' ' A' ' 41' ' ' TRP . 77.1 m-85 -103.45 133.22 48.86 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.043 0.449 . . . . 0.0 110.892 -179.148 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.436 ' O ' ' HA ' ' A' ' 40' ' ' TRP . 27.1 m -121.27 148.35 49.33 Favored Pre-proline 0 C--N 1.324 -0.534 0 CA-C-N 115.491 -0.777 . . . . 0.0 111.391 -179.561 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . 0.564 ' O ' HG22 ' A' ' 58' ' ' VAL . 59.5 Cg_endo -71.74 131.24 18.18 Favored 'Trans proline' 0 CA--C 1.529 0.227 0 C-N-CA 123.477 2.784 . . . . 0.0 113.077 -178.836 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 44.2 t -65.16 -20.37 66.42 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.305 0.574 . . . . 0.0 110.444 179.641 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -65.34 -35.34 80.69 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.43 178.612 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . 0.424 ' HB2' ' HG2' ' A' ' 54' ' ' PRO . 73.0 m-85 -104.07 -18.66 14.46 Favored 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 112.21 0.448 . . . . 0.0 112.21 -172.053 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.749 HG12 HD13 ' A' ' 25' ' ' ILE . 32.9 m -110.34 157.75 10.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 C-N-CA 121.03 -0.268 . . . . 0.0 110.98 -179.324 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.487 ' CG ' ' HB2' ' A' ' 12' ' ' LYS . 5.9 mm-40 . . . . . 0 C--O 1.233 0.188 0 CA-C-O 121.32 0.581 . . . . 0.0 111.978 -174.137 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 38.1 t . . . . . 0 N--CA 1.449 -0.476 0 CA-C-O 121.233 0.539 . . . . 0.0 110.67 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.532 ' HB ' ' O ' ' A' ' 59' ' ' GLU . 14.0 m -106.84 177.58 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.798 0 CA-C-N 115.066 -0.97 . . . . 0.0 109.584 177.176 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 11.7 p -136.66 143.9 34.03 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.891 0 N-CA-C 109.348 -0.612 . . . . 0.0 109.348 -178.786 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.496 ' HB3' ' O ' ' A' ' 26' ' ' LYS . . . -83.84 142.7 30.43 Favored 'General case' 0 C--N 1.316 -0.876 0 CA-C-O 120.979 0.418 . . . . 0.0 111.821 -175.694 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.798 ' HB2' ' HG2' ' A' ' 59' ' ' GLU . 38.6 tttp -80.26 -50.29 10.42 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.093 -178.434 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.412 ' HB2' ' HD2' ' A' ' 57' ' ' TYR . 65.9 m-85 -134.86 161.05 36.32 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.809 -0.632 . . . . 0.0 111.014 -178.384 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 -64.29 119.66 10.72 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.303 -0.862 . . . . 0.0 111.865 -179.716 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 26.2 t80 -132.38 109.95 10.21 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.99 -0.55 . . . . 0.0 109.827 171.059 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 52.2 t -96.07 124.13 48.61 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.739 0 N-CA-C 109.622 -0.51 . . . . 0.0 109.622 178.059 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.55 ' HB1' ' HG3' ' A' ' 22' ' ' GLU . . . -82.74 139.47 33.6 Favored 'General case' 0 C--N 1.318 -0.783 0 N-CA-C 109.063 -0.718 . . . . 0.0 109.063 179.884 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 27.9 mt-30 -72.45 -47.05 52.02 Favored 'General case' 0 C--N 1.319 -0.758 0 C-N-CA 120.772 -0.371 . . . . 0.0 110.938 -175.804 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 12.0 mm100 -109.25 163.03 13.74 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.675 -175.378 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.422 ' HB3' ' HE3' ' A' ' 49' ' ' LYS . 0.9 OUTLIER -73.44 -17.55 61.23 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.525 -179.512 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 4.1 pt20 -73.21 -15.38 61.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.04 0.448 . . . . 0.0 111.11 -178.633 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.55 ' HG3' ' HB1' ' A' ' 17' ' ' ALA . 1.6 pt-20 -110.52 173.36 6.37 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.43 -0.804 . . . . 0.0 108.832 176.091 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.621 ' HG ' HG23 ' A' ' 43' ' ' VAL . 0.9 OUTLIER -104.36 128.84 52.26 Favored 'General case' 0 C--N 1.323 -0.555 0 C-N-CA 120.079 -0.648 . . . . 0.0 110.077 -172.017 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 2.6 p-10 -94.32 132.05 39.31 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.065 0.46 . . . . 0.0 109.914 178.207 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.751 HD13 HG12 ' A' ' 58' ' ' VAL . 1.0 OUTLIER -131.9 176.73 8.31 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.776 0 N-CA-C 109.888 -0.412 . . . . 0.0 109.888 179.468 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.496 ' O ' ' HB3' ' A' ' 11' ' ' ALA . 17.8 tptm -145.17 158.9 43.7 Favored 'General case' 0 C--N 1.318 -0.803 0 N-CA-C 108.512 -0.921 . . . . 0.0 108.512 179.668 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 62.5 tttm -62.13 130.92 47.71 Favored 'General case' 0 N--CA 1.45 -0.46 0 C-N-CA 120.398 -0.521 . . . . 0.0 110.081 179.313 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 2.8 t30 68.06 16.64 9.5 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.34 -0.845 . . . . 0.0 110.895 177.885 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.471 ' HB2' ' HB3' ' A' ' 26' ' ' LYS . 10.0 tp10 -92.52 147.06 23.2 Favored 'General case' 0 C--N 1.331 -0.208 0 N-CA-C 110.125 -0.324 . . . . 0.0 110.125 179.192 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.596 ' O ' HD13 ' A' ' 31' ' ' LEU . 8.0 ptt180 -90.93 132.48 35.92 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.477 -177.199 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.596 HD13 ' O ' ' A' ' 30' ' ' ARG . 1.8 mm? -125.47 166.91 15.78 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 109.256 -0.646 . . . . 0.0 109.256 177.082 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 20.5 m-90 -101.5 121.01 41.19 Favored 'General case' 0 C--N 1.319 -0.741 0 N-CA-C 109.776 -0.453 . . . . 0.0 109.776 174.825 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.59 ' HA ' HG12 ' A' ' 43' ' ' VAL . 30.5 tp -97.24 119.93 36.66 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 121.102 0.477 . . . . 0.0 110.994 -176.931 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -102.57 -35.94 8.54 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.873 -178.745 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . 0.489 ' OD2' ' HD3' ' A' ' 42' ' ' ARG . 23.0 m-20 . . . . . 0 CA--C 1.516 -0.336 0 N-CA-C 112.357 0.503 . . . . 0.0 112.357 -174.505 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 7.0 m0 . . . . . 0 CA--C 1.52 -0.203 0 N-CA-C 110.095 -0.335 . . . . 0.0 110.095 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' TRP . . . . . 0.593 ' HE3' HG23 ' A' ' 58' ' ' VAL . 16.3 m0 -97.63 132.18 43.52 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 120.875 0.369 . . . . 0.0 111.484 -178.692 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.489 ' HD3' ' OD2' ' A' ' 35' ' ' ASP . 59.1 ttt-85 -85.42 109.7 18.63 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.822 -0.626 . . . . 0.0 109.723 176.406 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.621 HG23 ' HG ' ' A' ' 23' ' ' LEU . 4.7 m -126.54 161.49 32.67 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.792 0 CA-C-N 115.359 -0.837 . . . . 0.0 111.411 -177.287 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.402 ' HG3' ' O ' ' A' ' 49' ' ' LYS . 44.2 ttm180 -122.74 131.68 53.89 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-N 114.978 -1.01 . . . . 0.0 109.317 173.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . 0.59 ' HB2' HD11 ' A' ' 23' ' ' LEU . 54.2 t30 -96.23 174.55 6.84 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 115.998 -0.546 . . . . 0.0 109.554 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 36.2 m -66.65 -7.93 24.01 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.035 0.445 . . . . 0.0 111.207 -179.34 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 14.9 tpt -85.36 5.17 31.92 Favored 'General case' 0 CA--C 1.532 0.255 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.794 179.468 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 32.9 m-80 74.88 -17.06 0.51 Allowed 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 123.354 0.662 . . . . 0.0 111.881 175.718 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.422 ' HE3' ' HB3' ' A' ' 20' ' ' GLU . 75.5 mmtt -69.57 158.66 34.83 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 109.856 -0.424 . . . . 0.0 109.856 176.221 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . 0.493 ' HA ' HD23 ' A' ' 23' ' ' LEU . 4.6 m -142.45 151.97 42.28 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 109.747 -0.464 . . . . 0.0 109.747 -179.386 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . 0.401 ' O ' ' HA ' ' A' ' 42' ' ' ARG . . . 176.55 -163.43 32.55 Favored Glycine 0 N--CA 1.444 -0.802 0 C-N-CA 120.814 -0.708 . . . . 0.0 111.945 -178.633 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 81.0 m-85 -108.56 135.34 49.98 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 120.876 0.369 . . . . 0.0 110.306 -179.109 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.477 HG13 ' HB3' ' A' ' 23' ' ' LEU . 24.0 m -120.82 151.6 54.87 Favored Pre-proline 0 C--N 1.321 -0.646 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.99 179.115 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . 0.513 ' HG2' ' HB2' ' A' ' 57' ' ' TYR . 19.4 Cg_endo -58.99 118.55 5.46 Favored 'Trans proline' 0 N--CA 1.463 -0.292 0 C-N-CA 122.92 2.413 . . . . 0.0 111.796 176.537 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 1.5 p -68.45 -10.91 58.51 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.842 -0.617 . . . . 0.0 112.29 -175.593 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 24.7 p-10 -93.95 -7.6 42.49 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.613 -0.267 . . . . 0.0 111.185 176.748 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . 0.513 ' HB2' ' HG2' ' A' ' 54' ' ' PRO . 51.2 m-85 -111.01 -11.44 14.31 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 120.857 0.36 . . . . 0.0 111.102 177.909 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.751 HG12 HD13 ' A' ' 25' ' ' ILE . 35.0 m -120.51 157.68 23.15 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.692 0 N-CA-C 109.325 -0.62 . . . . 0.0 109.325 175.602 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.798 ' HG2' ' HB2' ' A' ' 12' ' ' LYS . 6.5 mm-40 . . . . . 0 C--N 1.33 -0.27 0 CA-C-O 121.434 0.635 . . . . 0.0 112.286 -174.318 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 83.2 t . . . . . 0 CA--C 1.514 -0.423 0 CA-C-O 121.765 0.793 . . . . 0.0 110.823 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.487 ' HB ' ' O ' ' A' ' 59' ' ' GLU . 9.7 m -116.86 177.96 2.07 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.169 0 CA-C-N 114.4 -1.273 . . . . 0.0 109.087 179.524 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 10.4 p -140.44 140.75 33.9 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.886 0 CA-C-O 121.308 0.575 . . . . 0.0 110.658 -178.446 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.494 ' HA ' ' HA ' ' A' ' 58' ' ' VAL . . . -92.07 145.92 24.14 Favored 'General case' 0 C--N 1.314 -0.956 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.075 178.595 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.46 ' O ' ' HG3' ' A' ' 27' ' ' LYS . 52.4 mttp -111.41 -12.87 13.97 Favored 'General case' 0 C--N 1.321 -0.647 0 C-N-CA 120.229 -0.589 . . . . 0.0 111.213 178.765 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 81.0 m-85 -134.28 145.51 49.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.307 0.575 . . . . 0.0 111.606 174.832 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 24.8 m-20 -61.25 130.75 47.75 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.027 -0.988 . . . . 0.0 112.575 -179.026 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . 0.581 ' HB3' ' CG1' ' A' ' 25' ' ' ILE . 54.3 t80 -136.04 111.95 9.54 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.993 -0.548 . . . . 0.0 109.769 168.725 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 46.0 t -94.99 131.11 42.7 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.712 0 N-CA-C 109.856 -0.424 . . . . 0.0 109.856 179.494 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.517 ' HB1' ' HB2' ' A' ' 22' ' ' GLU . . . -87.07 175.64 8.0 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.16 -0.473 . . . . 0.0 109.817 179.239 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 11.5 mt-30 -108.99 -56.94 2.21 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 120.986 0.422 . . . . 0.0 110.284 178.848 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . 0.72 ' HB2' ' HG2' ' A' ' 21' ' ' GLN . 12.1 mm100 -104.16 160.56 14.76 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.736 -0.665 . . . . 0.0 110.215 -179.345 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 50.5 mt-10 -71.59 -4.75 28.76 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-O 120.799 0.333 . . . . 0.0 111.653 179.033 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.72 ' HG2' ' HB2' ' A' ' 19' ' ' GLN . 11.2 pt20 -75.9 -20.9 57.67 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.377 0.608 . . . . 0.0 109.83 174.127 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.517 ' HB2' ' HB1' ' A' ' 17' ' ' ALA . 39.9 mt-10 -92.12 -179.52 5.29 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 114.956 -1.02 . . . . 0.0 109.524 179.21 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.844 ' HG ' HG23 ' A' ' 43' ' ' VAL . 0.8 OUTLIER -114.79 128.12 56.12 Favored 'General case' 0 N--CA 1.446 -0.651 0 N-CA-C 108.515 -0.92 . . . . 0.0 108.515 174.767 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -100.67 132.41 46.08 Favored 'General case' 0 C--N 1.322 -0.602 0 C-N-CA 120.099 -0.64 . . . . 0.0 109.526 178.264 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.713 HD13 HG12 ' A' ' 58' ' ' VAL . 1.1 pt -130.24 176.59 8.27 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.735 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.103 -177.483 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.528 ' HB3' ' HB2' ' A' ' 29' ' ' GLU . 20.9 tptp -145.0 158.69 43.73 Favored 'General case' 0 C--N 1.318 -0.788 0 N-CA-C 109.221 -0.659 . . . . 0.0 109.221 -176.504 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.46 ' HG3' ' O ' ' A' ' 12' ' ' LYS . 84.6 tttt -60.93 121.48 12.48 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 109.692 -0.485 . . . . 0.0 109.692 175.118 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 7.9 t30 70.26 35.07 2.17 Favored 'General case' 0 N--CA 1.471 0.614 0 CA-C-O 121.64 0.733 . . . . 0.0 110.598 -179.534 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.528 ' HB2' ' HB3' ' A' ' 26' ' ' LYS . 9.7 tp10 -109.8 147.89 32.45 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.155 175.563 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.664 ' O ' HD13 ' A' ' 31' ' ' LEU . 2.6 ptp180 -94.61 140.42 29.89 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.51 -176.288 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.664 HD13 ' O ' ' A' ' 30' ' ' ARG . 2.2 mm? -128.5 165.46 20.67 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 176.579 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . 0.454 ' HB2' ' HB3' ' A' ' 44' ' ' ARG . 11.9 m-90 -105.17 116.35 31.81 Favored 'General case' 0 C--N 1.316 -0.869 0 N-CA-C 109.356 -0.609 . . . . 0.0 109.356 177.122 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.576 ' HA ' HG12 ' A' ' 43' ' ' VAL . 33.3 tp -91.58 121.75 33.54 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-O 121.304 0.573 . . . . 0.0 111.718 -172.278 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.569 HD23 ' HD2' ' A' ' 42' ' ' ARG . 1.6 mm? -99.55 -54.97 2.79 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.421 -0.809 . . . . 0.0 110.173 178.023 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 12.9 m-20 . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.425 -178.216 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' TRP . . . . . 0.55 ' HA ' ' O ' ' A' ' 53' ' ' VAL . 77.6 m95 . . . . . 0 N--CA 1.462 0.16 0 CA-C-O 121.536 0.684 . . . . 0.0 110.499 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' TRP . . . . . 0.442 ' O ' ' HA ' ' A' ' 52' ' ' PHE . 51.3 m0 -82.94 151.47 25.9 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.213 -0.903 . . . . 0.0 110.501 -176.067 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.569 ' HD2' HD23 ' A' ' 34' ' ' LEU . 0.6 OUTLIER -96.02 110.81 22.98 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 109.344 -0.613 . . . . 0.0 109.344 177.47 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.844 HG23 ' HG ' ' A' ' 23' ' ' LEU . 4.3 m -127.69 157.32 39.65 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.567 -177.277 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.454 ' HB3' ' HB2' ' A' ' 32' ' ' TRP . 17.1 ttm-85 -110.45 137.23 48.43 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.098 -0.955 . . . . 0.0 109.008 173.085 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . 0.537 ' HB2' HD11 ' A' ' 23' ' ' LEU . 26.7 t-20 -98.1 170.9 8.59 Favored 'General case' 0 C--N 1.317 -0.841 0 N-CA-C 109.399 -0.593 . . . . 0.0 109.399 175.88 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 32.4 t -67.59 -14.56 63.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.159 0.504 . . . . 0.0 110.445 -179.786 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' MET . . . . . 0.469 ' O ' ' HD2' ' A' ' 49' ' ' LYS . 14.1 tpt -75.66 -0.14 19.64 Favored 'General case' 0 CA--C 1.532 0.26 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.641 177.854 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 31.7 m-80 77.09 4.69 3.29 Favored 'General case' 0 N--CA 1.469 0.498 0 C-N-CA 123.53 0.732 . . . . 0.0 112.074 174.832 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.469 ' HD2' ' O ' ' A' ' 47' ' ' MET . 1.4 mptp? -94.3 165.3 12.65 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.205 175.183 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . 0.556 ' HA ' HD23 ' A' ' 23' ' ' LEU . 6.5 m -141.76 153.58 44.67 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.964 -0.562 . . . . 0.0 109.568 -177.023 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 178.77 -166.0 35.45 Favored Glycine 0 N--CA 1.446 -0.672 0 C-N-CA 120.816 -0.707 . . . . 0.0 111.919 -178.521 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.442 ' HA ' ' O ' ' A' ' 41' ' ' TRP . 99.1 m-85 -107.46 139.79 41.42 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 109.78 -0.452 . . . . 0.0 109.78 -179.921 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.55 ' O ' ' HA ' ' A' ' 40' ' ' TRP . 8.9 m -131.65 152.57 80.63 Favored Pre-proline 0 C--N 1.32 -0.713 0 CA-C-N 115.782 -0.644 . . . . 0.0 111.446 -178.148 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . 0.5 ' HG2' ' HB2' ' A' ' 57' ' ' TYR . 28.2 Cg_endo -63.19 127.49 20.29 Favored 'Trans proline' 0 C--O 1.234 0.318 0 C-N-CA 123.001 2.467 . . . . 0.0 112.338 176.867 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 5.7 m -69.41 -10.24 57.11 Favored 'General case' 0 CA--C 1.534 0.364 0 CA-C-N 115.793 -0.64 . . . . 0.0 112.347 -174.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . 0.439 HD22 ' HA ' ' A' ' 56' ' ' ASN . 8.5 m120 -93.87 -5.79 47.21 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.84 0.352 . . . . 0.0 111.515 178.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . 0.5 ' HB2' ' HG2' ' A' ' 54' ' ' PRO . 42.1 m-85 -113.47 -33.36 5.92 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.968 0.413 . . . . 0.0 110.017 -178.327 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.713 HG12 HD13 ' A' ' 25' ' ' ILE . 25.0 m -108.4 143.19 19.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 N-CA-C 108.522 -0.918 . . . . 0.0 108.522 172.001 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.487 ' O ' ' HB ' ' A' ' 9' ' ' VAL . 47.8 mt-10 . . . . . 0 C--N 1.322 -0.611 0 CA-C-O 121.56 0.695 . . . . 0.0 112.333 -175.32 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 24.1 t . . . . . 0 N--CA 1.451 -0.42 0 CA-C-O 121.789 0.805 . . . . 0.0 110.965 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.602 ' HB ' ' O ' ' A' ' 59' ' ' GLU . 32.0 m -112.66 179.21 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.311 -1.089 0 CA-C-N 114.572 -1.195 . . . . 0.0 108.421 177.51 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.514 ' O ' ' HB2' ' A' ' 59' ' ' GLU . 8.2 p -136.7 138.93 45.76 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.852 0 O-C-N 121.894 -0.504 . . . . 0.0 110.021 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.561 ' HB3' ' O ' ' A' ' 26' ' ' LYS . . . -78.85 146.07 33.86 Favored 'General case' 0 C--N 1.315 -0.902 0 CA-C-O 121.458 0.647 . . . . 0.0 112.217 -175.64 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.678 ' HB2' ' HG2' ' A' ' 59' ' ' GLU . 80.8 tttt -84.49 -51.76 6.66 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 114.993 -1.003 . . . . 0.0 110.173 -175.879 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 74.2 m-85 -138.48 161.17 37.7 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.096 179.523 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . 0.404 ' OD1' ' HG3' ' A' ' 26' ' ' LYS . 24.9 m-20 -61.18 125.13 22.64 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.706 179.209 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . 0.558 ' HB3' HG13 ' A' ' 25' ' ' ILE . 33.7 t80 -129.5 111.43 12.75 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.018 -0.537 . . . . 0.0 109.923 173.814 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 46.3 t -84.66 131.48 33.93 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.658 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.115 179.051 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.538 ' HB1' ' HB2' ' A' ' 22' ' ' GLU . . . -92.04 175.21 6.95 Favored 'General case' 0 N--CA 1.448 -0.55 0 CA-C-N 116.009 -0.541 . . . . 0.0 109.729 179.87 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 21.8 mt-30 -82.54 -70.29 0.56 Allowed 'General case' 0 C--N 1.314 -0.945 0 C-N-CA 120.209 -0.597 . . . . 0.0 109.671 177.356 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . 0.655 ' HB2' ' HG2' ' A' ' 21' ' ' GLN . 15.7 mm100 -128.05 -177.22 4.05 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.603 -0.726 . . . . 0.0 109.673 -178.109 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.505 ' HB3' ' HD2' ' A' ' 49' ' ' LYS . 8.0 mp0 -70.8 -8.29 51.41 Favored 'General case' 0 C--N 1.329 -0.289 0 O-C-N 123.41 0.444 . . . . 0.0 111.352 -178.882 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.655 ' HG2' ' HB2' ' A' ' 19' ' ' GLN . 3.7 pt20 -73.2 -26.23 61.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.87 -0.605 . . . . 0.0 109.713 173.581 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.538 ' HB2' ' HB1' ' A' ' 17' ' ' ALA . 7.2 mm-40 -96.33 -179.33 4.6 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 107.786 -1.19 . . . . 0.0 107.786 177.578 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.878 ' HG ' HG23 ' A' ' 43' ' ' VAL . 0.6 OUTLIER -113.4 127.58 56.17 Favored 'General case' 0 C--N 1.32 -0.705 0 C-N-CA 119.707 -0.797 . . . . 0.0 109.149 176.012 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -102.95 125.5 49.73 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 109.522 -0.547 . . . . 0.0 109.522 179.292 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.711 HD13 HG12 ' A' ' 58' ' ' VAL . 1.5 pp -127.32 148.99 32.02 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-O 121.231 0.539 . . . . 0.0 110.734 -176.629 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.561 ' O ' ' HB3' ' A' ' 11' ' ' ALA . 0.0 OUTLIER -112.47 159.91 18.29 Favored 'General case' 0 C--N 1.313 -1.0 0 CA-C-O 120.988 0.423 . . . . 0.0 110.964 -178.882 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 5.2 ttpm? -63.41 130.3 43.86 Favored 'General case' 0 C--N 1.312 -1.027 0 N-CA-C 109.446 -0.576 . . . . 0.0 109.446 174.132 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 12.5 t30 70.13 14.57 7.7 Favored 'General case' 0 N--CA 1.47 0.567 0 CA-C-O 121.535 0.683 . . . . 0.0 110.698 179.259 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.522 ' HB2' ' HB3' ' A' ' 26' ' ' LYS . 34.9 tt0 -92.76 137.29 32.49 Favored 'General case' 0 C--N 1.328 -0.363 0 O-C-N 121.897 -0.502 . . . . 0.0 109.694 -177.689 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.478 ' O ' HD13 ' A' ' 31' ' ' LEU . 2.3 ptp85 -87.42 125.05 34.04 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-O 120.845 0.355 . . . . 0.0 110.525 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.546 HD12 ' HA ' ' A' ' 45' ' ' ASN . 1.2 mm? -118.11 165.58 13.6 Favored 'General case' 0 C--N 1.318 -0.766 0 N-CA-C 109.814 -0.439 . . . . 0.0 109.814 179.063 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . 0.443 ' HE3' ' O ' ' A' ' 44' ' ' ARG . 22.0 m-90 -101.62 122.49 43.97 Favored 'General case' 0 C--N 1.317 -0.805 0 N-CA-C 109.807 -0.442 . . . . 0.0 109.807 178.046 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.593 ' HA ' HG12 ' A' ' 43' ' ' VAL . 36.5 tp -96.99 118.67 33.92 Favored 'General case' 0 C--N 1.321 -0.63 0 CA-C-O 120.911 0.386 . . . . 0.0 110.849 -175.231 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -101.15 -52.94 3.14 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.333 -178.643 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . 0.592 ' HB3' ' HB3' ' A' ' 42' ' ' ARG . 28.6 t70 . . . . . 0 C--N 1.329 -0.315 0 CA-C-O 121.058 0.456 . . . . 0.0 111.848 -175.372 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.234 0.275 0 N-CA-C 109.813 -0.44 . . . . 0.0 109.813 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 16.5 m0 -86.67 137.91 32.08 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.004 -0.543 . . . . 0.0 112.195 -175.002 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.592 ' HB3' ' HB3' ' A' ' 35' ' ' ASP . 21.4 ttm180 -95.25 110.49 22.47 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.38 -0.827 . . . . 0.0 109.127 175.691 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.878 HG23 ' HG ' ' A' ' 23' ' ' LEU . 8.5 m -128.51 167.4 23.78 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.748 0 CA-C-O 121.408 0.623 . . . . 0.0 111.705 -175.183 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.443 ' O ' ' HE3' ' A' ' 32' ' ' TRP . 49.7 ttp180 -123.94 129.09 50.39 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 114.779 -1.101 . . . . 0.0 108.507 174.143 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . 0.546 ' HA ' HD12 ' A' ' 31' ' ' LEU . 32.4 p30 -91.74 -176.92 4.61 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 121.196 0.522 . . . . 0.0 111.562 -178.24 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 4.8 p -67.54 -15.32 63.6 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.399 -0.818 . . . . 0.0 111.707 -177.431 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 11.2 tpt -91.0 8.93 32.86 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.288 0.566 . . . . 0.0 110.066 178.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 28.8 m-80 62.45 30.97 17.32 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-N 115.462 -0.79 . . . . 0.0 111.243 173.592 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.505 ' HD2' ' HB3' ' A' ' 20' ' ' GLU . 24.2 mmtm -106.17 167.8 9.57 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 109.216 -0.661 . . . . 0.0 109.216 175.702 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . 0.519 ' HA ' HD23 ' A' ' 23' ' ' LEU . 2.8 m -137.96 150.12 46.75 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.085 0.469 . . . . 0.0 111.285 -176.326 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 178.73 -157.45 21.06 Favored Glycine 0 N--CA 1.444 -0.822 0 N-CA-C 110.697 -0.961 . . . . 0.0 110.697 -178.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 96.9 m-85 -122.53 139.26 54.09 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 117.036 0.418 . . . . 0.0 110.499 -179.824 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.542 HG13 ' HB3' ' A' ' 23' ' ' LEU . 30.8 m -126.03 152.91 73.76 Favored Pre-proline 0 C--N 1.326 -0.418 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.995 -178.229 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . 0.562 ' O ' HG22 ' A' ' 58' ' ' VAL . 66.8 Cg_endo -71.88 124.93 10.55 Favored 'Trans proline' 0 CA--C 1.529 0.241 0 C-N-CA 123.323 2.682 . . . . 0.0 112.235 179.3 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 15.2 p -66.22 -11.52 50.47 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 112.496 0.554 . . . . 0.0 112.496 -175.221 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 64.5 t30 -86.31 -22.11 26.92 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.956 0.408 . . . . 0.0 110.685 179.37 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . 0.56 ' HB2' ' HG2' ' A' ' 54' ' ' PRO . 80.1 m-85 -105.09 -9.99 17.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.883 0.373 . . . . 0.0 111.0 -178.316 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.711 HG12 HD13 ' A' ' 25' ' ' ILE . 35.3 m -121.39 156.26 25.27 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.71 0 CA-C-O 120.894 0.378 . . . . 0.0 110.573 177.174 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.678 ' HG2' ' HB2' ' A' ' 12' ' ' LYS . 33.9 mm-40 . . . . . 0 C--N 1.318 -0.771 0 CA-C-N 115.759 -0.655 . . . . 0.0 109.778 178.925 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 87.7 t . . . . . 0 N--CA 1.45 -0.462 0 CA-C-O 121.34 0.591 . . . . 0.0 110.714 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.424 HG23 ' HB2' ' A' ' 31' ' ' LEU . 4.9 m -113.4 -175.16 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.313 -1.021 0 CA-C-N 114.839 -1.073 . . . . 0.0 109.536 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 10.0 p -140.6 160.26 24.49 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.852 0 N-CA-C 109.508 -0.552 . . . . 0.0 109.508 178.866 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.444 ' HB3' ' O ' ' A' ' 26' ' ' LYS . . . -101.92 146.03 28.41 Favored 'General case' 0 C--N 1.312 -1.047 0 CA-C-O 120.764 0.316 . . . . 0.0 111.415 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.484 ' O ' ' HG3' ' A' ' 27' ' ' LYS . 0.4 OUTLIER -92.43 -37.08 12.76 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.546 178.941 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 70.6 m-85 -138.59 151.61 47.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.654 0.264 . . . . 0.0 111.33 -179.133 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -52.02 126.04 17.26 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.67 -0.696 . . . . 0.0 111.383 170.314 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . 0.6 ' HB3' ' CG1' ' A' ' 25' ' ' ILE . 7.4 t80 -129.73 110.94 12.17 Favored 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 109.481 -0.562 . . . . 0.0 109.481 171.632 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 50.5 t -87.45 130.35 37.38 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.676 0 CA-C-N 115.524 -0.762 . . . . 0.0 109.823 178.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.455 ' HB1' ' HB2' ' A' ' 22' ' ' GLU . . . -91.78 145.29 24.69 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 115.766 -0.652 . . . . 0.0 109.317 -179.757 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 14.7 mt-30 -65.69 -46.95 77.12 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 120.874 0.368 . . . . 0.0 110.832 -176.91 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 11.5 mm100 -136.3 165.38 25.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.049 176.011 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 6.9 mp0 -70.85 -3.4 18.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.769 -174.838 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.404 ' HG3' ' HG2' ' A' ' 22' ' ' GLU . 13.9 pt20 -71.2 -17.29 62.53 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.536 0.684 . . . . 0.0 109.668 173.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.455 ' HB2' ' HB1' ' A' ' 17' ' ' ALA . 7.3 mm-40 -107.81 -178.78 3.71 Favored 'General case' 0 N--CA 1.448 -0.552 0 CA-C-N 114.88 -1.055 . . . . 0.0 108.962 178.155 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.798 HD11 ' HB3' ' A' ' 45' ' ' ASN . 0.6 OUTLIER -104.77 128.78 53.02 Favored 'General case' 0 C--N 1.321 -0.652 0 C-N-CA 120.351 -0.54 . . . . 0.0 109.891 -177.944 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -104.26 124.17 48.67 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 109.955 -0.387 . . . . 0.0 109.955 179.704 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.681 HD13 HG12 ' A' ' 58' ' ' VAL . 1.1 pt -126.84 169.15 18.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 121.372 0.606 . . . . 0.0 111.897 -174.807 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.552 ' HB3' ' HB2' ' A' ' 29' ' ' GLU . 54.5 tptt -133.63 151.03 51.59 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.348 -0.842 . . . . 0.0 109.24 -174.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.484 ' HG3' ' O ' ' A' ' 12' ' ' LYS . 84.8 tttt -58.72 128.25 36.28 Favored 'General case' 0 C--O 1.235 0.322 0 CA-C-N 117.984 0.356 . . . . 0.0 110.176 177.483 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 64.2 t30 68.58 20.34 8.39 Favored 'General case' 0 N--CA 1.469 0.488 0 CA-C-N 115.767 -0.651 . . . . 0.0 111.189 178.575 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.552 ' HB2' ' HB3' ' A' ' 26' ' ' LYS . 10.1 tp10 -93.6 148.5 22.04 Favored 'General case' 0 C--N 1.328 -0.357 0 O-C-N 121.887 -0.508 . . . . 0.0 109.638 174.808 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.619 ' O ' HD13 ' A' ' 31' ' ' LEU . 5.8 ptp180 -91.76 136.46 33.13 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.017 -177.167 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.619 HD13 ' O ' ' A' ' 30' ' ' ARG . 1.9 mm? -123.7 166.38 15.63 Favored 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 109.522 -0.547 . . . . 0.0 109.522 175.143 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . 0.406 ' HE3' ' O ' ' A' ' 44' ' ' ARG . 20.2 m-90 -107.59 117.68 34.74 Favored 'General case' 0 C--N 1.314 -0.961 0 N-CA-C 109.407 -0.59 . . . . 0.0 109.407 176.202 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.559 ' HA ' HG12 ' A' ' 43' ' ' VAL . 41.5 tp -92.57 114.46 27.02 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-O 120.979 0.419 . . . . 0.0 111.047 -173.642 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -99.64 -30.35 12.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.421 -179.726 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 4.4 t70 . . . . . 0 C--N 1.325 -0.472 0 CA-C-N 115.749 -0.66 . . . . 0.0 110.356 -175.843 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 13.3 m95 . . . . . 0 N--CA 1.454 -0.252 0 CA-C-O 120.961 0.41 . . . . 0.0 110.116 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' TRP . . . . . 0.473 ' O ' ' HA ' ' A' ' 52' ' ' PHE . 24.1 m0 -95.94 146.65 24.43 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.652 -175.777 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 5.0 ttm180 -108.46 111.46 23.36 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.113 -0.494 . . . . 0.0 109.875 -179.606 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.741 HG23 ' HG ' ' A' ' 23' ' ' LEU . 5.8 m -133.47 157.73 42.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-O 121.573 0.701 . . . . 0.0 112.468 -174.674 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.406 ' O ' ' HE3' ' A' ' 32' ' ' TRP . 47.6 ttt-85 -108.74 136.45 48.28 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 114.785 -1.098 . . . . 0.0 108.29 170.328 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . 0.798 ' HB3' HD11 ' A' ' 23' ' ' LEU . 35.9 p-10 -107.69 177.42 4.83 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-O 120.792 0.329 . . . . 0.0 111.019 -178.488 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 8.7 m -66.78 -11.92 56.81 Favored 'General case' 0 CA--C 1.533 0.305 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.502 -178.372 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 41.3 ttp -93.19 20.81 6.52 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.177 0.513 . . . . 0.0 109.798 179.43 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 9.0 p30 49.8 26.26 1.84 Allowed 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 124.553 1.141 . . . . 0.0 113.369 174.748 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 32.2 mmtp -106.88 167.94 9.54 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 109.47 -0.567 . . . . 0.0 109.47 175.106 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . 0.558 ' HA ' HD23 ' A' ' 23' ' ' LEU . 3.9 m -141.83 151.94 43.22 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 120.912 0.387 . . . . 0.0 110.522 179.598 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 176.07 -160.2 28.0 Favored Glycine 0 N--CA 1.445 -0.706 0 N-CA-C 111.201 -0.76 . . . . 0.0 111.201 -178.388 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.473 ' HA ' ' O ' ' A' ' 41' ' ' TRP . 94.6 m-85 -112.29 143.27 43.66 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 120.971 0.415 . . . . 0.0 110.672 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.508 HG13 ' HB3' ' A' ' 23' ' ' LEU . 15.8 m -128.31 151.65 76.76 Favored Pre-proline 0 C--N 1.322 -0.624 0 CA-C-N 115.494 -0.775 . . . . 0.0 111.761 -179.009 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . 0.712 ' HG2' ' HB2' ' A' ' 57' ' ' TYR . 42.9 Cg_endo -68.09 133.25 28.28 Favored 'Trans proline' 0 C--O 1.234 0.286 0 C-N-CA 123.607 2.872 . . . . 0.0 112.765 176.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 47.0 t -68.54 -11.48 59.97 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.566 -179.392 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 18.0 m120 -86.46 -24.7 25.53 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.788 0.328 . . . . 0.0 110.984 179.427 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . 0.712 ' HB2' ' HG2' ' A' ' 54' ' ' PRO . 41.6 m-85 -98.82 -25.63 14.57 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.501 -0.318 . . . . 0.0 111.036 -177.214 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.681 HG12 HD13 ' A' ' 25' ' ' ILE . 15.9 m -110.14 166.68 5.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 N-CA-C 109.583 -0.525 . . . . 0.0 109.583 177.498 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 . . . . . 0 C--N 1.33 -0.269 0 CA-C-O 121.278 0.561 . . . . 0.0 112.061 -177.618 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 42.4 t . . . . . 0 N--CA 1.452 -0.369 0 CA-C-O 121.427 0.632 . . . . 0.0 111.311 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.708 ' HB ' ' O ' ' A' ' 59' ' ' GLU . 25.6 m -114.14 179.17 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.791 0 CA-C-N 114.787 -1.097 . . . . 0.0 108.9 177.054 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 11.9 p -140.63 145.85 25.06 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.797 0 N-CA-C 109.913 -0.403 . . . . 0.0 109.913 -178.72 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -87.41 145.84 26.12 Favored 'General case' 0 C--N 1.316 -0.864 0 CA-C-O 120.97 0.414 . . . . 0.0 111.957 -176.142 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.569 ' HD3' ' CD ' ' A' ' 59' ' ' GLU . 39.1 tptt -88.71 -43.9 10.97 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.798 -0.637 . . . . 0.0 109.956 -179.576 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.451 ' HB2' ' HD2' ' A' ' 57' ' ' TYR . 96.9 m-85 -135.85 164.73 27.26 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.683 -0.689 . . . . 0.0 110.182 179.909 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 13.1 m-20 -67.84 132.36 47.24 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.75 177.172 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . 0.542 ' HB3' ' CG1' ' A' ' 25' ' ' ILE . 10.3 t80 -135.81 111.6 9.42 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.096 0.474 . . . . 0.0 110.054 174.004 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 44.2 t -90.75 128.96 42.28 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 CA-C-N 115.905 -0.589 . . . . 0.0 109.815 178.874 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.545 ' HB1' ' HB2' ' A' ' 22' ' ' GLU . . . -81.32 137.78 35.74 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 109.516 -0.55 . . . . 0.0 109.516 -178.265 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.428 HE21 ' HB2' ' A' ' 18' ' ' GLN . 24.3 mt-30 -73.55 -29.72 62.61 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.254 0.549 . . . . 0.0 110.847 -177.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . 0.504 ' HB3' ' HG2' ' A' ' 21' ' ' GLN . 0.3 OUTLIER -139.09 156.38 47.21 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.605 -0.725 . . . . 0.0 109.526 174.975 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 -71.21 -3.2 18.97 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.904 0.383 . . . . 0.0 111.356 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.504 ' HG2' ' HB3' ' A' ' 19' ' ' GLN . 10.8 pt20 -70.72 -21.38 62.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.6 0.714 . . . . 0.0 109.295 172.699 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.545 ' HB2' ' HB1' ' A' ' 17' ' ' ALA . 6.6 mm-40 -101.44 -179.25 3.97 Favored 'General case' 0 N--CA 1.448 -0.537 0 CA-C-N 114.867 -1.06 . . . . 0.0 108.608 179.671 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.676 HD23 ' HA ' ' A' ' 50' ' ' THR . 0.6 OUTLIER -106.2 128.44 53.94 Favored 'General case' 0 C--N 1.32 -0.702 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 179.156 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -96.28 133.58 40.45 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 109.385 -0.598 . . . . 0.0 109.385 178.207 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.689 HD13 HG12 ' A' ' 58' ' ' VAL . 1.0 OUTLIER -134.11 160.14 41.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-O 121.234 0.54 . . . . 0.0 111.134 -177.376 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.549 ' HB3' ' HB2' ' A' ' 29' ' ' GLU . 4.5 tppp? -121.77 152.96 38.9 Favored 'General case' 0 C--N 1.32 -0.692 0 N-CA-C 108.8 -0.815 . . . . 0.0 108.8 -177.491 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 55.6 tttp -59.59 130.56 47.42 Favored 'General case' 0 C--N 1.326 -0.43 0 C-N-CA 120.896 -0.322 . . . . 0.0 110.411 178.589 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 4.8 t30 68.93 15.7 8.86 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.99 177.44 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.549 ' HB2' ' HB3' ' A' ' 26' ' ' LYS . 8.9 tp10 -94.26 152.31 18.78 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 122.019 -0.425 . . . . 0.0 110.243 -179.437 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.647 ' O ' HD13 ' A' ' 31' ' ' LEU . 6.3 ptp180 -91.15 140.9 29.38 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.421 -177.285 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.647 HD13 ' O ' ' A' ' 30' ' ' ARG . 2.2 mm? -127.45 168.64 14.61 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 109.223 -0.658 . . . . 0.0 109.223 175.018 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 20.3 m-90 -105.0 123.83 48.48 Favored 'General case' 0 C--N 1.315 -0.917 0 N-CA-C 109.566 -0.531 . . . . 0.0 109.566 174.779 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.555 ' HA ' HG12 ' A' ' 43' ' ' VAL . 37.5 tp -97.11 127.06 42.72 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 120.994 0.425 . . . . 0.0 111.282 -175.232 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -108.33 -39.31 5.49 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.362 179.455 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 18.9 t70 . . . . . 0 C--N 1.327 -0.385 0 CA-C-N 116.464 -0.335 . . . . 0.0 110.457 -176.163 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' TRP . . . . . 0.637 ' HB3' ' HB3' ' A' ' 52' ' ' PHE . 38.4 m0 . . . . . 0 C--O 1.231 0.083 0 CA-C-O 121.142 0.496 . . . . 0.0 110.352 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 46.1 m0 -98.97 146.86 25.58 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.373 -179.771 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 13.9 ttm-85 -93.43 107.77 19.55 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.291 178.081 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.567 HG23 ' HG ' ' A' ' 23' ' ' LEU . 5.0 m -131.95 170.89 18.97 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-N 115.74 -0.663 . . . . 0.0 111.619 -178.542 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.515 ' HG3' ' O ' ' A' ' 49' ' ' LYS . 16.3 ttm180 -136.62 131.44 33.71 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.171 -0.922 . . . . 0.0 109.964 176.942 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . 0.549 ' HB2' HD11 ' A' ' 23' ' ' LEU . 21.1 t-20 -93.68 177.43 6.01 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 108.624 -0.88 . . . . 0.0 108.624 175.782 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 18.2 p -70.23 -7.76 44.72 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.999 0.428 . . . . 0.0 111.208 179.591 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 15.3 tpt -73.65 -2.56 23.62 Favored 'General case' 0 CA--C 1.532 0.277 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.717 178.878 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 28.6 m-80 74.04 -6.36 1.85 Allowed 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 123.489 0.715 . . . . 0.0 111.767 174.809 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.515 ' O ' ' HG3' ' A' ' 44' ' ' ARG . 31.1 mmtp -82.85 165.96 19.36 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 109.526 -0.546 . . . . 0.0 109.526 175.164 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . 0.676 ' HA ' HD23 ' A' ' 23' ' ' LEU . 4.5 m -143.08 154.88 44.4 Favored 'General case' 0 C--N 1.32 -0.704 0 N-CA-C 109.336 -0.616 . . . . 0.0 109.336 -177.568 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 173.07 -147.54 9.75 Favored Glycine 0 N--CA 1.444 -0.831 0 C-N-CA 120.525 -0.845 . . . . 0.0 112.331 -178.578 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.637 ' HB3' ' HB3' ' A' ' 40' ' ' TRP . 76.9 m-85 -119.46 146.92 44.98 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 120.575 0.226 . . . . 0.0 110.888 -176.236 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.45 HG13 ' HB3' ' A' ' 23' ' ' LEU . 29.7 m -132.56 151.73 78.71 Favored Pre-proline 0 C--N 1.325 -0.468 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.112 177.426 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . 0.668 ' HG2' ' HB2' ' A' ' 57' ' ' TYR . 52.8 Cg_endo -69.25 123.08 9.9 Favored 'Trans proline' 0 C--N 1.345 0.394 0 C-N-CA 123.401 2.734 . . . . 0.0 112.444 177.443 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 6.2 p -64.78 -20.62 66.47 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 112.577 0.584 . . . . 0.0 112.577 -175.841 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 95.2 m-20 -84.46 -8.88 58.81 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.572 0.225 . . . . 0.0 111.248 -179.779 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . 0.668 ' HB2' ' HG2' ' A' ' 54' ' ' PRO . 69.5 m-85 -114.43 -4.78 12.89 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.772 0.32 . . . . 0.0 110.871 -178.349 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.689 HG12 HD13 ' A' ' 25' ' ' ILE . 27.8 m -128.51 163.03 34.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.387 -0.369 . . . . 0.0 110.414 -179.359 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.708 ' O ' ' HB ' ' A' ' 9' ' ' VAL . 56.0 mt-10 . . . . . 0 C--N 1.325 -0.495 0 CA-C-O 121.213 0.53 . . . . 0.0 110.765 177.671 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 41.0 t . . . . . 0 N--CA 1.454 -0.255 0 CA-C-O 121.632 0.729 . . . . 0.0 111.585 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.4 HG11 ' HB2' ' A' ' 33' ' ' LEU . 30.8 m -118.88 -178.58 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 CA-C-N 114.541 -1.208 . . . . 0.0 108.92 178.116 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 12.2 p -140.87 141.07 32.28 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.76 0 C-N-CA 120.423 -0.511 . . . . 0.0 111.009 -178.228 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -82.26 145.79 29.82 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.532 -178.529 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.659 ' HB2' ' HG2' ' A' ' 59' ' ' GLU . 68.3 tttt -86.85 -52.19 5.63 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.48 -0.782 . . . . 0.0 109.628 -178.873 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.417 ' HB2' ' HD2' ' A' ' 57' ' ' TYR . 72.6 m-85 -132.87 165.9 23.57 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.597 -0.729 . . . . 0.0 109.597 177.772 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . 0.463 ' HB3' ' HD2' ' A' ' 26' ' ' LYS . 0.7 OUTLIER -75.73 139.07 41.67 Favored 'General case' 0 N--CA 1.447 -0.577 0 CA-C-O 121.377 0.608 . . . . 0.0 112.12 -178.139 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . 0.55 ' HB3' HG13 ' A' ' 25' ' ' ILE . 11.1 t80 -137.16 112.97 9.56 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 114.99 -1.005 . . . . 0.0 110.756 -178.893 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 54.0 t -85.88 135.58 24.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-N 116.168 -0.469 . . . . 0.0 109.966 176.483 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.543 ' HB1' ' HB2' ' A' ' 22' ' ' GLU . . . -105.81 160.29 15.35 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.175 -176.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 27.0 mt-30 -67.57 -65.58 0.67 Allowed 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.871 0.367 . . . . 0.0 110.73 -179.726 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . 0.587 ' HB2' ' HG2' ' A' ' 21' ' ' GLN . 44.6 mt-30 -122.39 166.9 13.99 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 109.101 -0.703 . . . . 0.0 109.101 176.775 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.984 ' HB2' ' HD3' ' A' ' 49' ' ' LYS . 1.2 pm0 -72.98 -1.51 17.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.719 0.295 . . . . 0.0 111.793 178.638 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.587 ' HG2' ' HB2' ' A' ' 19' ' ' GLN . 10.1 pt20 -64.1 -26.59 68.61 Favored 'General case' 0 C--N 1.333 -0.132 0 CA-C-O 121.908 0.861 . . . . 0.0 108.717 167.286 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.543 ' HB2' ' HB1' ' A' ' 17' ' ' ALA . 20.0 mm-40 -92.03 -179.21 5.22 Favored 'General case' 0 N--CA 1.446 -0.658 0 N-CA-C 107.363 -1.347 . . . . 0.0 107.363 174.145 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.839 ' HG ' HG23 ' A' ' 43' ' ' VAL . 0.6 OUTLIER -110.93 127.88 55.62 Favored 'General case' 0 C--N 1.316 -0.862 0 C-N-CA 119.584 -0.846 . . . . 0.0 109.225 175.868 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 6.5 p-10 -99.25 133.62 43.28 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 109.753 -0.462 . . . . 0.0 109.753 177.645 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.778 HD13 HG12 ' A' ' 58' ' ' VAL . 1.1 pt -135.73 159.8 39.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-O 121.237 0.542 . . . . 0.0 111.199 -176.276 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.463 ' HD2' ' HB3' ' A' ' 14' ' ' ASP . 53.7 tptt -124.43 158.28 33.15 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 109.501 -0.555 . . . . 0.0 109.501 -178.25 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -57.45 124.77 20.12 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.522 0.201 . . . . 0.0 110.802 177.167 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 66.3 t30 68.34 25.55 7.01 Favored 'General case' 0 N--CA 1.467 0.375 0 O-C-N 123.902 0.751 . . . . 0.0 110.742 178.725 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.414 ' HB2' ' HB3' ' A' ' 26' ' ' LYS . 8.2 tp10 -91.34 144.77 25.24 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.08 177.883 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.448 ' O ' HD13 ' A' ' 31' ' ' LEU . 16.7 ptt-85 -93.86 126.11 38.87 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-O 120.871 0.367 . . . . 0.0 110.412 -179.177 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.448 HD13 ' O ' ' A' ' 30' ' ' ARG . 1.4 mm? -118.52 168.61 10.51 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 109.973 -0.38 . . . . 0.0 109.973 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 12.1 m-90 -104.4 122.0 44.57 Favored 'General case' 0 C--N 1.319 -0.747 0 N-CA-C 109.682 -0.488 . . . . 0.0 109.682 175.392 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.523 ' HA ' HG12 ' A' ' 43' ' ' VAL . 45.5 tp -95.9 129.98 43.0 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 120.926 0.393 . . . . 0.0 111.31 -175.358 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -108.06 -46.7 3.7 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.831 -0.622 . . . . 0.0 109.954 177.77 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . 0.491 ' HB2' ' HB3' ' A' ' 42' ' ' ARG . 7.7 m-20 . . . . . 0 N--CA 1.467 0.376 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.715 -177.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' TRP . . . . . 0.546 ' HB3' ' HB3' ' A' ' 52' ' ' PHE . 13.2 m0 . . . . . 0 N--CA 1.448 -0.554 0 N-CA-C 109.665 -0.494 . . . . 0.0 109.665 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 50.2 m0 -96.31 137.33 35.55 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-O 121.003 0.43 . . . . 0.0 110.736 179.122 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.491 ' HB3' ' HB2' ' A' ' 35' ' ' ASP . 16.1 tpp85 -86.41 108.43 18.48 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.578 -0.737 . . . . 0.0 109.59 178.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.839 HG23 ' HG ' ' A' ' 23' ' ' LEU . 6.4 m -132.45 162.12 40.31 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.681 0 CA-C-O 121.446 0.641 . . . . 0.0 111.647 -177.624 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.448 ' HG2' ' O ' ' A' ' 49' ' ' LYS . 0.4 OUTLIER -126.19 125.82 43.07 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 114.653 -1.158 . . . . 0.0 108.743 178.206 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . 0.608 ' HB3' HD11 ' A' ' 23' ' ' LEU . 39.9 p30 -91.94 -178.55 5.04 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.196 0.522 . . . . 0.0 112.339 -175.147 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 15.0 m -69.66 -8.25 46.05 Favored 'General case' 0 CA--C 1.534 0.328 0 CA-C-N 115.386 -0.824 . . . . 0.0 111.902 -177.345 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 40.7 ttm -90.48 5.38 47.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.276 0.56 . . . . 0.0 109.521 177.645 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 27.4 m-80 69.81 14.7 8.02 Favored 'General case' 0 N--CA 1.467 0.412 0 CA-C-N 115.112 -0.949 . . . . 0.0 110.483 176.808 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.984 ' HD3' ' HB2' ' A' ' 20' ' ' GLU . 98.8 mttt -98.24 164.89 12.13 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.647 -0.706 . . . . 0.0 109.404 179.155 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . 0.476 ' HA ' HD23 ' A' ' 23' ' ' LEU . 3.0 m -142.47 153.88 44.05 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 120.74 0.305 . . . . 0.0 110.681 -172.195 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 174.22 -147.77 9.49 Favored Glycine 0 N--CA 1.446 -0.645 0 N-CA-C 111.474 -0.65 . . . . 0.0 111.474 -179.22 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.546 ' HB3' ' HB3' ' A' ' 40' ' ' TRP . 87.7 m-85 -123.06 149.87 43.85 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 120.818 0.342 . . . . 0.0 110.622 -179.436 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.541 HG13 ' HB3' ' A' ' 23' ' ' LEU . 16.9 m -132.31 152.53 80.26 Favored Pre-proline 0 C--N 1.324 -0.528 0 CA-C-N 115.844 -0.616 . . . . 0.0 111.473 179.192 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . 0.53 ' O ' HG22 ' A' ' 58' ' ' VAL . 59.8 Cg_endo -72.06 125.05 10.55 Favored 'Trans proline' 0 C--N 1.343 0.24 0 C-N-CA 123.478 2.786 . . . . 0.0 111.798 175.924 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 1.7 p -67.66 -11.7 58.83 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 112.37 0.508 . . . . 0.0 112.37 -176.175 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 5.4 t-20 -78.06 -25.82 47.95 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.088 0.47 . . . . 0.0 110.54 177.227 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . 0.436 ' HB2' ' HG2' ' A' ' 54' ' ' PRO . 86.1 m-85 -105.43 -9.61 17.43 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.618 -176.608 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.778 HG12 HD13 ' A' ' 25' ' ' ILE . 34.3 m -121.8 152.6 25.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-O 120.831 0.348 . . . . 0.0 111.165 -178.405 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.659 ' HG2' ' HB2' ' A' ' 12' ' ' LYS . 5.7 mm-40 . . . . . 0 C--N 1.328 -0.366 0 CA-C-N 116.004 -0.544 . . . . 0.0 109.631 -178.672 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 54.1 t . . . . . 0 N--CA 1.447 -0.591 0 CA-C-O 121.615 0.722 . . . . 0.0 111.025 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.662 ' HB ' ' O ' ' A' ' 59' ' ' GLU . 25.2 m -117.4 -175.87 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.314 -0.939 0 CA-C-N 114.493 -1.23 . . . . 0.0 109.186 179.684 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 8.8 p -140.57 137.51 36.04 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.791 0 CA-C-O 120.925 0.393 . . . . 0.0 110.291 -179.307 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.458 ' HB2' HD21 ' A' ' 31' ' ' LEU . . . -77.21 145.83 37.35 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-O 120.993 0.425 . . . . 0.0 111.679 -176.467 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.573 ' HD3' ' HG3' ' A' ' 59' ' ' GLU . 23.9 tptp -83.62 -52.85 6.1 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.16 -178.717 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 73.3 m-85 -129.23 166.73 18.82 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.364 -179.18 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 26.4 m-20 -68.18 131.66 45.79 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.501 176.481 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . 0.57 ' HB3' ' CG1' ' A' ' 25' ' ' ILE . 18.8 t80 -135.63 111.02 9.08 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.102 173.617 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 45.0 t -90.47 133.45 32.28 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.737 0 CA-C-N 115.684 -0.689 . . . . 0.0 109.39 177.718 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.635 ' HB1' ' HG3' ' A' ' 22' ' ' GLU . . . -98.58 159.17 15.13 Favored 'General case' 0 C--N 1.32 -0.715 0 N-CA-C 109.383 -0.599 . . . . 0.0 109.383 -179.436 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 26.4 mt-30 -78.89 -43.23 25.35 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 120.832 0.349 . . . . 0.0 111.224 -176.898 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . 0.559 ' HB3' ' HG2' ' A' ' 21' ' ' GLN . 13.2 tt0 -136.93 166.26 24.05 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 109.54 -0.541 . . . . 0.0 109.54 -179.623 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 -71.21 -2.49 16.16 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.721 -0.218 . . . . 0.0 111.397 -178.612 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.559 ' HG2' ' HB3' ' A' ' 19' ' ' GLN . 3.9 pt20 -69.16 -28.33 66.34 Favored 'General case' 0 C--O 1.232 0.165 0 CA-C-O 121.243 0.544 . . . . 0.0 110.053 176.94 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.635 ' HG3' ' HB1' ' A' ' 17' ' ' ALA . 3.8 pt-20 -104.6 -178.87 3.78 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.502 -0.772 . . . . 0.0 109.037 173.836 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.533 ' HB3' HG13 ' A' ' 53' ' ' VAL . 1.0 OUTLIER -104.41 127.66 52.13 Favored 'General case' 0 C--N 1.319 -0.728 0 C-N-CA 120.064 -0.654 . . . . 0.0 109.799 -176.642 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -97.81 121.29 39.55 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.628 -0.715 . . . . 0.0 109.204 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.777 HD13 HG12 ' A' ' 58' ' ' VAL . 1.2 pt -120.56 175.1 4.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 121.278 0.561 . . . . 0.0 111.258 -175.787 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.55 ' HB3' ' HB2' ' A' ' 29' ' ' GLU . 14.6 tptp -139.0 155.04 48.29 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 109.402 -0.592 . . . . 0.0 109.402 -177.827 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 53.3 tttm -59.98 127.41 31.77 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.753 0.311 . . . . 0.0 111.059 179.104 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 7.1 t30 64.65 21.91 12.5 Favored 'General case' 0 CA--C 1.537 0.462 0 CA-C-N 115.326 -0.852 . . . . 0.0 110.828 178.214 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.55 ' HB2' ' HB3' ' A' ' 26' ' ' LYS . 10.3 tp10 -90.36 144.63 25.63 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 109.157 -0.683 . . . . 0.0 109.157 177.352 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.539 ' O ' HD13 ' A' ' 31' ' ' LEU . 6.9 ptp85 -87.74 131.01 34.64 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-O 120.765 0.317 . . . . 0.0 110.147 -178.039 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.539 HD13 ' O ' ' A' ' 30' ' ' ARG . 1.5 mm? -121.1 162.85 19.32 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 109.687 -0.486 . . . . 0.0 109.687 177.002 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . 0.482 ' HB2' ' HB3' ' A' ' 44' ' ' ARG . 17.8 m-90 -96.05 121.64 38.03 Favored 'General case' 0 C--N 1.316 -0.88 0 N-CA-C 109.091 -0.707 . . . . 0.0 109.091 174.513 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.553 HD22 HG11 ' A' ' 9' ' ' VAL . 30.9 tp -96.94 115.37 27.31 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 121.13 0.491 . . . . 0.0 111.297 -174.735 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -102.34 -30.74 10.87 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.21 179.144 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 14.5 t70 . . . . . 0 C--N 1.328 -0.326 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.217 -177.394 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' TRP . . . . . 0.582 ' HA ' ' O ' ' A' ' 53' ' ' VAL . 26.9 m95 . . . . . 0 N--CA 1.462 0.17 0 CA-C-O 121.445 0.64 . . . . 0.0 110.952 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 53.0 m0 -84.79 142.75 29.57 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.559 -0.746 . . . . 0.0 110.187 -177.815 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 62.3 ttt180 -90.74 111.39 22.74 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 109.516 -0.55 . . . . 0.0 109.516 178.913 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.54 HG12 ' HA ' ' A' ' 33' ' ' LEU . 6.2 m -132.11 164.57 34.43 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.721 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.975 -174.788 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.482 ' HB3' ' HB2' ' A' ' 32' ' ' TRP . 34.5 ttm180 -123.82 130.66 52.97 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 114.883 -1.053 . . . . 0.0 109.371 175.928 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . 0.412 ' HA ' HD12 ' A' ' 31' ' ' LEU . 21.9 t-20 -91.46 170.91 9.57 Favored 'General case' 0 C--N 1.32 -0.678 0 N-CA-C 109.119 -0.697 . . . . 0.0 109.119 176.49 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 11.9 p -68.4 -9.04 45.64 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.829 0.347 . . . . 0.0 111.297 -179.573 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' MET . . . . . 0.412 ' O ' ' HG3' ' A' ' 47' ' ' MET . 48.4 tpp -81.64 5.45 18.19 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 121.436 0.636 . . . . 0.0 109.892 175.539 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 35.9 m-80 68.5 11.21 8.27 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-N 115.494 -0.776 . . . . 0.0 111.313 174.397 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.768 ' HA ' ' HE3' ' A' ' 49' ' ' LYS . 0.0 OUTLIER -86.0 155.0 21.05 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 108.822 -0.807 . . . . 0.0 108.822 174.791 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 2.1 m -138.13 150.61 46.99 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 120.861 0.362 . . . . 0.0 110.593 177.266 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 173.7 -158.47 27.59 Favored Glycine 0 N--CA 1.445 -0.752 0 N-CA-C 111.633 -0.587 . . . . 0.0 111.633 -178.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.419 ' HB3' ' HB3' ' A' ' 40' ' ' TRP . 97.6 m-85 -114.01 144.63 42.79 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 109.75 -0.463 . . . . 0.0 109.75 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.582 ' O ' ' HA ' ' A' ' 40' ' ' TRP . 17.7 m -128.86 153.61 80.01 Favored Pre-proline 0 C--N 1.32 -0.68 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.442 -179.131 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 17.8 Cg_endo -58.45 118.15 4.98 Favored 'Trans proline' 0 N--CA 1.463 -0.303 0 C-N-CA 123.019 2.479 . . . . 0.0 111.333 173.521 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -65.91 -10.72 41.28 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.801 -0.636 . . . . 0.0 112.123 -174.648 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 17.7 m120 -89.4 -16.3 31.25 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.708 0.29 . . . . 0.0 111.327 179.905 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 39.8 m-85 -107.89 -7.1 16.35 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.994 0.426 . . . . 0.0 111.165 -176.734 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.777 HG12 HD13 ' A' ' 25' ' ' ILE . 34.7 m -122.5 152.99 27.03 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 CA-C-N 115.969 -0.56 . . . . 0.0 109.853 178.53 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.662 ' O ' ' HB ' ' A' ' 9' ' ' VAL . 6.0 mm-40 . . . . . 0 C--N 1.324 -0.537 0 CA-C-O 121.205 0.526 . . . . 0.0 110.881 -176.291 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 52.9 t . . . . . 0 N--CA 1.444 -0.756 0 CA-C-O 121.762 0.791 . . . . 0.0 110.865 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.575 ' HB ' ' O ' ' A' ' 59' ' ' GLU . 11.8 m -106.84 175.87 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.31 -1.126 0 CA-C-N 114.49 -1.232 . . . . 0.0 109.123 178.637 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 14.6 p -133.55 147.9 30.87 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.033 0 CA-C-O 121.08 0.466 . . . . 0.0 109.899 -178.577 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.482 ' HB1' HD12 ' A' ' 25' ' ' ILE . . . -86.67 145.34 26.74 Favored 'General case' 0 C--N 1.314 -0.954 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.005 -179.506 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.419 ' HB2' ' HG2' ' A' ' 59' ' ' GLU . 56.1 tttt -97.19 -41.41 8.32 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.67 -0.696 . . . . 0.0 110.218 -176.595 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 91.2 m-85 -140.66 149.38 42.18 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.543 -179.063 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 13.5 m-20 -47.52 125.97 9.14 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.258 -0.883 . . . . 0.0 112.939 176.315 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . 0.505 ' HB3' ' CG1' ' A' ' 25' ' ' ILE . 8.4 t80 -136.62 110.35 8.1 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.837 -0.62 . . . . 0.0 109.6 168.223 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 47.9 t -95.04 131.27 42.3 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.747 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.134 179.294 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -97.26 149.23 22.29 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.879 -0.601 . . . . 0.0 109.631 178.624 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 7.6 mm100 -79.69 -59.68 2.64 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-O 121.194 0.521 . . . . 0.0 111.888 -178.759 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . 0.569 ' HB2' ' HG2' ' A' ' 21' ' ' GLN . 38.2 mt-30 -108.3 164.56 12.21 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.112 -179.287 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 23.1 mt-10 -71.84 -3.66 23.55 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.365 -176.191 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.569 ' HG2' ' HB2' ' A' ' 19' ' ' GLN . 8.9 pt20 -69.26 -21.53 63.89 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.508 177.018 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.506 ' HA ' ' HA3' ' A' ' 51' ' ' GLY . 5.9 mm-40 -112.07 176.92 4.82 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.744 -0.662 . . . . 0.0 109.902 179.102 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.8 ' HG ' HG23 ' A' ' 43' ' ' VAL . 0.7 OUTLIER -104.78 129.01 53.11 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 109.481 -0.562 . . . . 0.0 109.481 -179.562 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 2.9 p-10 -99.65 135.17 41.47 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 109.681 -0.488 . . . . 0.0 109.681 178.018 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.719 HD13 HG12 ' A' ' 58' ' ' VAL . 1.1 pt -133.55 175.38 11.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-O 120.981 0.419 . . . . 0.0 111.056 -176.89 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.502 ' HB3' ' HB2' ' A' ' 29' ' ' GLU . 26.7 tptp -143.41 151.74 40.75 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 108.543 -0.91 . . . . 0.0 108.543 -177.919 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 58.6 tttp -55.15 126.17 23.67 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 118.018 0.372 . . . . 0.0 110.191 176.035 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 72.57 22.31 3.34 Favored 'General case' 0 N--CA 1.469 0.495 0 O-C-N 124.003 0.814 . . . . 0.0 110.613 177.531 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.502 ' HB2' ' HB3' ' A' ' 26' ' ' LYS . 8.6 tp10 -97.24 149.76 21.67 Favored 'General case' 0 C--N 1.331 -0.216 0 N-CA-C 109.643 -0.503 . . . . 0.0 109.643 177.482 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.704 ' O ' HD13 ' A' ' 31' ' ' LEU . 0.0 OUTLIER -96.43 136.64 36.65 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 120.506 0.193 . . . . 0.0 110.774 -177.877 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.704 HD13 ' O ' ' A' ' 30' ' ' ARG . 1.8 mm? -128.53 166.42 18.85 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 110.045 -0.354 . . . . 0.0 110.045 177.842 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 8.0 m-90 -104.66 121.62 43.94 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 109.567 -0.531 . . . . 0.0 109.567 176.745 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.557 ' HA ' HG12 ' A' ' 43' ' ' VAL . 36.8 tp -95.85 118.88 33.33 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 121.136 0.493 . . . . 0.0 111.192 -176.11 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -98.31 -45.88 6.01 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.272 -179.105 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . 0.524 ' HB3' ' HD3' ' A' ' 42' ' ' ARG . 25.1 t70 . . . . . 0 C--N 1.328 -0.351 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.999 -177.402 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' TRP . . . . . 0.476 ' CD1' ' HA ' ' A' ' 54' ' ' PRO . 42.0 m0 . . . . . 0 C--O 1.235 0.299 0 N-CA-C 110.22 -0.289 . . . . 0.0 110.22 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' TRP . . . . . 0.515 ' CE3' HG23 ' A' ' 58' ' ' VAL . 39.7 m0 -117.49 144.24 45.25 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 121.432 0.634 . . . . 0.0 111.371 178.71 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.524 ' HD3' ' HB3' ' A' ' 35' ' ' ASP . 66.5 ttt180 -99.78 105.94 17.78 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 114.926 -1.034 . . . . 0.0 110.63 -174.94 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.8 HG23 ' HG ' ' A' ' 23' ' ' LEU . 6.1 m -129.07 168.87 21.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 121.365 0.602 . . . . 0.0 112.474 -173.547 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.615 ' HG2' ' O ' ' A' ' 49' ' ' LYS . 1.1 tmm_? -138.34 123.46 19.15 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 114.871 -1.058 . . . . 0.0 108.321 179.575 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . 0.604 ' O ' ' HD2' ' A' ' 44' ' ' ARG . 40.4 p30 -93.21 -177.47 4.47 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.823 0.344 . . . . 0.0 111.35 -176.84 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 28.1 t -66.82 -14.55 62.79 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.66 -176.579 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' MET . . . . . 0.8 ' HG2' ' HE2' ' A' ' 49' ' ' LYS . 35.9 ttm -87.35 9.81 19.33 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.184 0.516 . . . . 0.0 109.98 -179.314 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . 0.405 ' HA ' ' HD3' ' A' ' 44' ' ' ARG . 29.9 m-80 67.47 14.19 9.54 Favored 'General case' 0 N--CA 1.466 0.37 0 CA-C-N 115.489 -0.778 . . . . 0.0 111.45 174.077 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.8 ' HE2' ' HG2' ' A' ' 47' ' ' MET . 71.6 mmtt -87.87 158.17 18.79 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 109.695 -0.483 . . . . 0.0 109.695 178.28 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 3.6 m -136.86 153.08 50.86 Favored 'General case' 0 C--N 1.32 -0.689 0 N-CA-C 110.328 -0.249 . . . . 0.0 110.328 176.407 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . 0.506 ' HA3' ' HA ' ' A' ' 22' ' ' GLU . . . 171.96 -172.04 44.5 Favored Glycine 0 N--CA 1.445 -0.74 0 N-CA-C 111.599 -0.6 . . . . 0.0 111.599 -178.934 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 80.8 m-85 -105.06 133.16 50.3 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.996 0.427 . . . . 0.0 110.357 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.494 HG13 ' HB3' ' A' ' 23' ' ' LEU . 21.6 m -117.02 144.4 33.49 Favored Pre-proline 0 C--N 1.321 -0.644 0 CA-C-N 115.582 -0.736 . . . . 0.0 111.156 179.198 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . 0.518 ' HG2' ' HB2' ' A' ' 57' ' ' TYR . 19.2 Cg_endo -57.09 125.48 19.09 Favored 'Trans proline' 0 C--O 1.234 0.314 0 C-N-CA 123.572 2.848 . . . . 0.0 112.004 177.861 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 7.0 m -67.26 -11.52 57.7 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.73 -0.668 . . . . 0.0 111.936 -174.265 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 21.8 m120 -93.22 -14.77 26.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.629 0.252 . . . . 0.0 111.548 179.347 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . 0.518 ' HB2' ' HG2' ' A' ' 54' ' ' PRO . 55.0 m-85 -103.6 -8.81 19.71 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.828 0.347 . . . . 0.0 110.986 -178.577 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.719 HG12 HD13 ' A' ' 25' ' ' ILE . 21.6 m -127.57 158.75 38.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 N-CA-C 110.008 -0.368 . . . . 0.0 110.008 179.497 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.575 ' O ' ' HB ' ' A' ' 9' ' ' VAL . 5.8 mm-40 . . . . . 0 C--N 1.329 -0.3 0 CA-C-O 120.924 0.392 . . . . 0.0 111.261 -177.923 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 46.4 t . . . . . 0 N--CA 1.454 -0.258 0 CA-C-O 121.475 0.655 . . . . 0.0 111.434 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 5.6 m -116.62 174.62 3.42 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.72 0 CA-C-N 114.871 -1.059 . . . . 0.0 109.163 174.355 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 14.4 p -137.04 155.38 32.6 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.793 0 N-CA-C 109.679 -0.489 . . . . 0.0 109.679 -178.04 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.476 ' HA ' ' HA ' ' A' ' 58' ' ' VAL . . . -108.62 146.85 32.73 Favored 'General case' 0 C--N 1.32 -0.686 0 N-CA-C 111.418 0.155 . . . . 0.0 111.418 -178.743 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.534 ' O ' ' HG3' ' A' ' 27' ' ' LYS . 3.8 ttmp? -89.42 -44.91 9.84 Favored 'General case' 0 C--N 1.329 -0.315 0 C-N-CA 121.023 -0.271 . . . . 0.0 110.625 176.222 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 65.5 m-85 -122.54 148.16 45.52 Favored 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 120.821 -0.352 . . . . 0.0 111.039 -179.931 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . 0.608 ' HB3' ' HD3' ' A' ' 26' ' ' LYS . 1.0 OUTLIER -68.21 143.16 55.44 Favored 'General case' 0 N--CA 1.446 -0.656 0 CA-C-O 121.475 0.655 . . . . 0.0 112.15 179.962 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . 0.53 ' HB3' ' CG1' ' A' ' 25' ' ' ILE . 10.5 t80 -137.99 119.1 14.44 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 114.884 -1.053 . . . . 0.0 110.091 177.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 47.9 t -93.3 133.35 34.72 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 N-CA-C 109.887 -0.412 . . . . 0.0 109.887 178.333 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.544 ' HB1' ' HB2' ' A' ' 22' ' ' GLU . . . -98.58 164.16 12.37 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.043 -0.526 . . . . 0.0 109.999 -178.75 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 20.3 mt-30 -80.67 -51.9 8.17 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 120.869 -0.332 . . . . 0.0 111.272 -174.535 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . 0.453 ' HB3' ' HG2' ' A' ' 21' ' ' GLN . 24.7 tp60 -131.31 170.69 14.28 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 179.579 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.598 ' HB3' ' HD2' ' A' ' 49' ' ' LYS . 1.8 mp0 -70.75 -3.47 18.89 Favored 'General case' 0 N--CA 1.469 0.482 0 CA-C-O 120.783 0.325 . . . . 0.0 111.304 -178.631 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.453 ' HG2' ' HB3' ' A' ' 19' ' ' GLN . 24.1 pt20 -70.44 -20.13 62.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.61 0.719 . . . . 0.0 109.366 173.026 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.544 ' HB2' ' HB1' ' A' ' 17' ' ' ALA . 3.6 mt-10 -105.51 -178.63 3.71 Favored 'General case' 0 N--CA 1.449 -0.497 0 CA-C-N 114.643 -1.162 . . . . 0.0 109.134 178.073 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.704 ' HG ' HG23 ' A' ' 43' ' ' VAL . 0.8 OUTLIER -115.15 128.73 56.38 Favored 'General case' 0 C--N 1.323 -0.587 0 N-CA-C 110.04 -0.356 . . . . 0.0 110.04 -178.719 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 4.0 p-10 -95.36 135.26 37.2 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 109.415 -0.587 . . . . 0.0 109.415 177.441 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.765 HD13 HG12 ' A' ' 58' ' ' VAL . 1.0 OUTLIER -135.08 158.38 41.1 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 C-N-CA 120.608 -0.437 . . . . 0.0 110.968 -179.229 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.611 ' HB3' ' HB2' ' A' ' 29' ' ' GLU . 4.0 tppp? -126.99 158.61 36.45 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 116.468 -0.333 . . . . 0.0 110.156 -177.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.534 ' HG3' ' O ' ' A' ' 12' ' ' LYS . 82.2 tttt -55.61 124.65 18.06 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.294 172.499 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 12.3 t-20 69.03 20.77 7.64 Favored 'General case' 0 N--CA 1.47 0.545 0 O-C-N 123.89 0.744 . . . . 0.0 110.705 179.868 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.611 ' HB2' ' HB3' ' A' ' 26' ' ' LYS . 9.5 tp10 -92.1 145.62 24.37 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 121.942 -0.473 . . . . 0.0 109.916 178.707 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.51 ' O ' HD13 ' A' ' 31' ' ' LEU . 9.3 ptt180 -96.3 129.74 43.56 Favored 'General case' 0 C--N 1.316 -0.863 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.209 -178.52 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.51 HD13 ' O ' ' A' ' 30' ' ' ARG . 1.5 mm? -120.51 165.38 15.05 Favored 'General case' 0 C--N 1.314 -0.971 0 N-CA-C 109.372 -0.603 . . . . 0.0 109.372 178.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . 0.571 ' HB2' ' HB3' ' A' ' 44' ' ' ARG . 24.5 m-90 -105.54 122.13 45.39 Favored 'General case' 0 C--N 1.314 -0.967 0 N-CA-C 109.551 -0.537 . . . . 0.0 109.551 176.106 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.531 ' HA ' HG12 ' A' ' 43' ' ' VAL . 37.6 tp -97.8 114.69 26.78 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 120.885 0.374 . . . . 0.0 111.053 -175.044 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -101.27 -36.79 8.78 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.919 -176.86 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 22.7 t0 . . . . . 0 C--N 1.328 -0.353 0 CA-C-N 116.503 -0.317 . . . . 0.0 110.721 -175.904 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 33.0 m95 . . . . . 0 N--CA 1.452 -0.361 0 N-CA-C 109.623 -0.51 . . . . 0.0 109.623 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' TRP . . . . . 0.549 ' O ' ' HA ' ' A' ' 52' ' ' PHE . 41.8 m0 -95.23 140.83 29.58 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.246 -179.429 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.441 ' HA ' ' O ' ' A' ' 51' ' ' GLY . 56.0 ttt180 -88.21 110.15 20.48 Favored 'General case' 0 C--O 1.237 0.438 0 N-CA-C 109.567 -0.531 . . . . 0.0 109.567 179.466 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.704 HG23 ' HG ' ' A' ' 23' ' ' LEU . 4.1 m -129.19 166.9 25.63 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 CA-C-N 115.559 -0.746 . . . . 0.0 111.92 -175.361 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.571 ' HB3' ' HB2' ' A' ' 32' ' ' TRP . 57.2 ttt-85 -123.06 130.85 53.33 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 114.858 -1.065 . . . . 0.0 109.12 176.699 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . 0.558 ' H ' HD21 ' A' ' 23' ' ' LEU . 52.8 t30 -94.09 172.89 7.94 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 120.845 0.355 . . . . 0.0 110.65 -179.913 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 45.1 t -66.28 -17.34 64.69 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.482 177.928 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' MET . . . . . 0.427 ' O ' ' HG2' ' A' ' 49' ' ' LYS . 27.9 ttt -80.1 16.15 1.31 Allowed 'General case' 0 CA--C 1.533 0.308 0 CA-C-N 116.121 -0.49 . . . . 0.0 109.967 176.343 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 4.6 p30 48.09 32.12 2.81 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 123.987 0.915 . . . . 0.0 112.431 178.876 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.598 ' HD2' ' HB3' ' A' ' 20' ' ' GLU . 69.5 mmtt -104.22 165.25 11.17 Favored 'General case' 0 N--CA 1.45 -0.471 0 N-CA-C 108.728 -0.841 . . . . 0.0 108.728 172.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 2.4 m -136.33 150.36 48.83 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 120.729 0.3 . . . . 0.0 110.416 178.375 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . 0.441 ' O ' ' HA ' ' A' ' 42' ' ' ARG . . . 174.95 -155.14 20.1 Favored Glycine 0 N--CA 1.448 -0.502 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.933 -178.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.549 ' HA ' ' O ' ' A' ' 41' ' ' TRP . 91.9 m-85 -120.78 144.12 48.47 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 110.121 -0.326 . . . . 0.0 110.121 -178.277 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.503 HG13 ' HB3' ' A' ' 23' ' ' LEU . 28.7 m -129.74 158.03 74.86 Favored Pre-proline 0 C--N 1.323 -0.544 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.68 -179.113 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . 0.513 ' HG2' ' HB2' ' A' ' 57' ' ' TYR . 59.6 Cg_endo -74.3 133.12 17.27 Favored 'Trans proline' 0 C--N 1.346 0.446 0 C-N-CA 123.049 2.499 . . . . 0.0 112.582 176.788 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 8.5 p -71.83 -10.82 60.33 Favored 'General case' 0 C--N 1.327 -0.413 0 N-CA-C 112.811 0.671 . . . . 0.0 112.811 -175.412 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . 0.44 ' OD1' ' HB2' ' A' ' 54' ' ' PRO . 21.6 p-10 -94.37 -1.47 53.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.717 0.294 . . . . 0.0 111.622 179.919 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . 0.513 ' HB2' ' HG2' ' A' ' 54' ' ' PRO . 52.1 m-85 -114.37 -28.44 7.23 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.808 0.337 . . . . 0.0 110.618 177.445 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.765 HG12 HD13 ' A' ' 25' ' ' ILE . 35.0 m -107.95 160.33 7.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 N-CA-C 109.473 -0.566 . . . . 0.0 109.473 178.4 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.414 ' OE2' ' HB2' ' A' ' 12' ' ' LYS . 45.3 mt-10 . . . . . 0 C--N 1.322 -0.61 0 CA-C-O 121.48 0.657 . . . . 0.0 112.05 -176.12 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.445 ' CG1' ' HB2' ' A' ' 30' ' ' ARG . 47.1 t . . . . . 0 N--CA 1.445 -0.676 0 CA-C-O 121.433 0.635 . . . . 0.0 111.39 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.49 ' HB ' ' O ' ' A' ' 59' ' ' GLU . 12.4 m -105.59 176.32 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.316 -0.868 0 CA-C-N 114.78 -1.1 . . . . 0.0 108.575 175.303 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 14.1 p -131.95 155.37 41.53 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.821 0 C-N-CA 120.75 -0.38 . . . . 0.0 110.259 -178.599 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -97.86 146.36 25.51 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 120.974 0.416 . . . . 0.0 111.287 179.616 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.462 ' HB2' ' HE3' ' A' ' 12' ' ' LYS . 38.0 ttmt -90.23 -45.47 9.06 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.943 -0.572 . . . . 0.0 110.185 -178.49 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.437 ' HB2' ' CD2' ' A' ' 57' ' ' TYR . 65.1 m-85 -136.94 168.92 18.66 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.51 179.757 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 34.0 m-20 -69.05 133.69 48.43 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.549 178.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . 0.564 ' HB3' ' CG1' ' A' ' 25' ' ' ILE . 7.6 t80 -135.61 111.4 9.38 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.714 -0.675 . . . . 0.0 109.53 171.83 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.438 ' HA ' ' OD1' ' A' ' 24' ' ' ASP . 40.7 t -94.36 126.4 46.79 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.311 -179.784 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -87.36 131.53 34.25 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.934 -0.575 . . . . 0.0 109.47 179.713 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 8.5 tt0 -61.96 -38.9 90.24 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 121.013 0.435 . . . . 0.0 111.339 -175.756 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 81.3 mm-40 -129.6 156.42 44.24 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.066 -0.516 . . . . 0.0 109.924 178.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -71.19 -3.05 18.09 Favored 'General case' 0 N--CA 1.464 0.249 0 N-CA-C 111.954 0.353 . . . . 0.0 111.954 -176.822 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 3.8 pt20 -72.52 -17.62 61.72 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.143 0.497 . . . . 0.0 110.459 175.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 71.3 mm-40 -108.19 -177.88 3.45 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.497 -0.774 . . . . 0.0 109.615 176.686 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.809 ' HG ' HG23 ' A' ' 43' ' ' VAL . 0.8 OUTLIER -103.4 128.26 50.57 Favored 'General case' 0 C--N 1.32 -0.69 0 C-N-CA 120.642 -0.423 . . . . 0.0 110.206 -175.923 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . 0.438 ' OD1' ' HA ' ' A' ' 16' ' ' VAL . 24.9 t70 -97.21 121.72 39.42 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.225 -0.443 . . . . 0.0 109.852 176.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.751 HD13 HG12 ' A' ' 58' ' ' VAL . 0.9 OUTLIER -121.11 162.59 19.8 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 CA-C-O 120.922 0.392 . . . . 0.0 110.469 -179.321 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.453 ' HD3' ' HA ' ' A' ' 26' ' ' LYS . 0.4 OUTLIER -129.54 154.77 46.71 Favored 'General case' 0 C--N 1.319 -0.753 0 C-N-CA 120.786 -0.366 . . . . 0.0 110.031 -177.861 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 82.8 tttt -55.29 124.41 16.96 Favored 'General case' 0 C--N 1.319 -0.736 0 O-C-N 123.656 0.597 . . . . 0.0 111.205 179.545 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 64.5 t30 64.7 23.88 12.83 Favored 'General case' 0 CA--C 1.535 0.391 0 CA-C-N 115.646 -0.706 . . . . 0.0 111.007 176.593 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -100.07 155.1 17.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.227 -0.442 . . . . 0.0 109.911 178.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.628 ' O ' HD13 ' A' ' 31' ' ' LEU . 6.7 ptp180 -93.01 141.36 28.48 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 120.759 0.314 . . . . 0.0 111.044 -176.479 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.628 HD13 ' O ' ' A' ' 30' ' ' ARG . 2.3 mm? -129.16 167.77 17.11 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 109.616 -0.512 . . . . 0.0 109.616 175.305 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 18.5 m-90 -105.47 120.57 41.96 Favored 'General case' 0 C--N 1.317 -0.812 0 N-CA-C 109.486 -0.561 . . . . 0.0 109.486 173.855 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.619 ' HA ' HG12 ' A' ' 43' ' ' VAL . 41.9 tp -95.25 124.02 39.07 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 120.981 0.42 . . . . 0.0 111.195 -176.164 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -102.42 -51.05 3.43 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.626 -0.716 . . . . 0.0 110.078 178.227 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 . . . . . 0 C--N 1.328 -0.344 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.596 -176.528 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' TRP . . . . . 0.569 ' HB3' ' HB3' ' A' ' 52' ' ' PHE . 61.2 m95 . . . . . 0 N--CA 1.465 0.294 0 CA-C-O 121.071 0.462 . . . . 0.0 110.507 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' TRP . . . . . 0.436 ' O ' ' HA ' ' A' ' 52' ' ' PHE . 42.4 m0 -90.59 146.7 23.85 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.686 -177.173 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 21.5 ttp180 -95.62 113.74 25.41 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.991 0.424 . . . . 0.0 110.035 178.189 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.809 HG23 ' HG ' ' A' ' 23' ' ' LEU . 5.6 m -126.96 166.93 22.6 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 CA-C-N 115.562 -0.745 . . . . 0.0 111.389 -177.502 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.484 ' HG3' ' O ' ' A' ' 49' ' ' LYS . 39.2 ttt180 -133.95 127.29 32.1 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.464 -0.789 . . . . 0.0 109.822 176.837 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . 0.41 ' H ' HD21 ' A' ' 23' ' ' LEU . 28.3 t-20 -87.45 174.84 8.26 Favored 'General case' 0 C--N 1.32 -0.69 0 N-CA-C 109.193 -0.669 . . . . 0.0 109.193 178.537 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 6.2 p -68.27 -15.21 63.48 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.947 0.404 . . . . 0.0 111.096 -178.523 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 53.0 tpp -75.32 -3.23 32.27 Favored 'General case' 0 CA--C 1.533 0.312 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.191 174.687 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 22.9 m-80 71.12 9.74 6.72 Favored 'General case' 0 N--CA 1.468 0.442 0 C-N-CA 123.858 0.863 . . . . 0.0 111.756 174.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.484 ' O ' ' HG3' ' A' ' 44' ' ' ARG . 71.7 mmtt -74.3 155.09 38.58 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 108.22 -1.03 . . . . 0.0 108.22 172.44 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . 0.427 ' HA ' HD23 ' A' ' 23' ' ' LEU . 3.0 m -133.82 153.12 51.96 Favored 'General case' 0 C--N 1.319 -0.736 0 N-CA-C 110.226 -0.287 . . . . 0.0 110.226 177.554 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 171.25 -169.36 42.42 Favored Glycine 0 N--CA 1.447 -0.595 0 C-N-CA 120.842 -0.695 . . . . 0.0 111.886 -179.401 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.569 ' HB3' ' HB3' ' A' ' 40' ' ' TRP . 91.3 m-85 -108.54 140.33 42.05 Favored 'General case' 0 N--CA 1.448 -0.56 0 CA-C-O 121.085 0.469 . . . . 0.0 110.362 -179.126 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 27.7 m -123.05 148.34 54.09 Favored Pre-proline 0 C--N 1.317 -0.815 0 CA-C-N 115.737 -0.665 . . . . 0.0 111.24 -179.106 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . 0.511 ' HG2' ' HB2' ' A' ' 57' ' ' TYR . 33.7 Cg_endo -64.88 128.67 21.36 Favored 'Trans proline' 0 N--CA 1.462 -0.352 0 C-N-CA 122.96 2.44 . . . . 0.0 111.837 178.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 32.2 t -67.82 -11.33 58.34 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.055 -0.521 . . . . 0.0 111.511 -175.569 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 2.8 m-20 -90.19 -14.97 32.38 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.696 0.284 . . . . 0.0 111.238 -178.009 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . 0.511 ' HB2' ' HG2' ' A' ' 54' ' ' PRO . 39.5 m-85 -109.77 -9.11 14.84 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.593 -0.276 . . . . 0.0 111.372 -177.751 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.751 HG12 HD13 ' A' ' 25' ' ' ILE . 27.8 m -124.48 164.23 23.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-O 120.523 0.201 . . . . 0.0 110.908 -178.607 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.49 ' O ' ' HB ' ' A' ' 9' ' ' VAL . 41.1 mm-40 . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.074 -178.047 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 79.0 t . . . . . 0 C--O 1.234 0.244 0 CA-C-O 121.778 0.799 . . . . 0.0 111.46 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 20.2 m -118.58 -177.67 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.317 -0.84 0 CA-C-N 114.093 -1.412 . . . . 0.0 108.852 178.033 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 12.5 p -140.65 143.27 29.19 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.692 0 C-N-CA 120.804 -0.358 . . . . 0.0 110.129 -179.867 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.472 ' HB2' HD21 ' A' ' 31' ' ' LEU . . . -89.75 146.21 24.65 Favored 'General case' 0 C--N 1.316 -0.865 0 CA-C-O 121.028 0.442 . . . . 0.0 111.944 -176.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.616 ' HB2' ' HG2' ' A' ' 59' ' ' GLU . 51.9 tptt -85.09 -49.1 8.55 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.2 -178.731 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 58.7 m-85 -132.81 167.97 19.22 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.228 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 25.0 m-20 -67.75 128.28 35.89 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.606 -0.724 . . . . 0.0 111.017 178.324 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . 0.537 ' HB3' ' CG1' ' A' ' 25' ' ' ILE . 33.2 t80 -131.85 111.11 11.31 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.15 -0.477 . . . . 0.0 109.759 172.184 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 27.0 t -81.65 142.33 13.89 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-N 115.857 -0.61 . . . . 0.0 109.709 178.891 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.537 ' HB1' ' HB2' ' A' ' 22' ' ' GLU . . . -86.1 153.63 21.95 Favored 'General case' 0 N--CA 1.441 -0.911 0 N-CA-C 109.569 -0.53 . . . . 0.0 109.569 -177.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 8.0 tt0 -67.98 -55.28 13.28 Favored 'General case' 0 C--N 1.315 -0.927 0 N-CA-C 109.569 -0.53 . . . . 0.0 109.569 178.409 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 23.4 mm-40 -147.44 -167.91 2.91 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 114.944 -1.026 . . . . 0.0 108.742 173.048 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 4.5 mp0 -70.9 -3.58 19.93 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-O 120.964 0.411 . . . . 0.0 110.792 179.597 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.426 ' HG3' ' OE2' ' A' ' 22' ' ' GLU . 12.7 pt20 -78.34 -17.98 55.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.384 0.612 . . . . 0.0 110.109 175.339 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.537 ' HB2' ' HB1' ' A' ' 17' ' ' ALA . 49.0 mm-40 -110.39 177.34 4.72 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 108.326 -0.99 . . . . 0.0 108.326 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.509 HD23 ' HA ' ' A' ' 50' ' ' THR . 1.1 tm? -105.85 128.03 53.49 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 109.379 -0.6 . . . . 0.0 109.379 177.003 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -96.23 117.71 31.33 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 109.99 -0.374 . . . . 0.0 109.99 179.635 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.752 HD13 HG12 ' A' ' 58' ' ' VAL . 1.0 OUTLIER -118.72 176.5 3.12 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.652 0 CA-C-O 120.882 0.372 . . . . 0.0 110.146 179.423 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.418 ' O ' ' HB3' ' A' ' 11' ' ' ALA . 0.0 OUTLIER -142.58 164.23 30.67 Favored 'General case' 0 C--N 1.316 -0.865 0 N-CA-C 109.396 -0.594 . . . . 0.0 109.396 -178.184 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 37.9 ttpt -63.42 139.34 58.76 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 110.089 -0.337 . . . . 0.0 110.089 177.909 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 3.1 p-10 48.95 28.83 2.12 Favored 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 124.115 0.966 . . . . 0.0 112.047 -177.046 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -89.65 146.29 24.64 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.903 -0.589 . . . . 0.0 109.837 176.478 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.424 ' O ' HD13 ' A' ' 31' ' ' LEU . 2.4 ptm180 -96.49 126.62 41.81 Favored 'General case' 0 C--N 1.319 -0.758 0 N-CA-C 109.687 -0.486 . . . . 0.0 109.687 179.56 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.472 HD21 ' HB2' ' A' ' 11' ' ' ALA . 1.3 mm? -117.78 165.55 13.51 Favored 'General case' 0 C--N 1.318 -0.771 0 N-CA-C 109.853 -0.425 . . . . 0.0 109.853 -178.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . 0.416 ' HE3' ' O ' ' A' ' 44' ' ' ARG . 12.1 m-90 -102.88 124.06 47.68 Favored 'General case' 0 C--N 1.315 -0.921 0 N-CA-C 109.577 -0.527 . . . . 0.0 109.577 175.668 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.585 ' HA ' HG12 ' A' ' 43' ' ' VAL . 43.9 tp -99.01 117.7 34.12 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 121.161 0.505 . . . . 0.0 111.388 -174.604 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.406 HD22 ' N ' ' A' ' 34' ' ' LEU . 1.9 mm? -106.87 -26.89 11.03 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.671 -0.695 . . . . 0.0 111.098 -178.145 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . 0.624 ' HB3' ' HB3' ' A' ' 42' ' ' ARG . 11.0 t70 . . . . . 0 C--N 1.328 -0.345 0 CA-C-O 120.957 0.408 . . . . 0.0 111.633 -175.687 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 8.1 m0 . . . . . 0 C--O 1.234 0.248 0 N-CA-C 109.386 -0.598 . . . . 0.0 109.386 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 51.1 m0 -83.31 139.77 32.86 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-O 121.161 0.505 . . . . 0.0 110.847 -177.444 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.624 ' HB3' ' HB3' ' A' ' 35' ' ' ASP . 42.2 ttp180 -98.04 110.6 23.15 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.992 -0.549 . . . . 0.0 109.955 -179.621 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.585 HG12 ' HA ' ' A' ' 33' ' ' LEU . 11.7 m -127.78 173.4 13.13 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 CA-C-N 115.492 -0.777 . . . . 0.0 112.062 -173.801 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.416 ' O ' ' HE3' ' A' ' 32' ' ' TRP . 15.1 ttm180 -129.29 129.07 44.42 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 114.905 -1.043 . . . . 0.0 109.323 175.519 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . 0.42 ' HB2' HD11 ' A' ' 23' ' ' LEU . 55.2 t30 -104.02 179.2 4.34 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 109.046 -0.724 . . . . 0.0 109.046 177.339 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 27.2 p -65.26 -8.13 16.34 Favored 'General case' 0 CA--C 1.533 0.304 0 CA-C-O 121.313 0.578 . . . . 0.0 110.972 179.476 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' MET . . . . . 0.53 ' O ' ' HG2' ' A' ' 49' ' ' LYS . 2.4 tpt -76.86 12.22 1.43 Allowed 'General case' 0 CA--C 1.533 0.314 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.65 178.24 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 9.6 p30 50.66 21.72 0.96 Allowed 'General case' 0 N--CA 1.483 1.198 0 C-N-CA 124.317 1.047 . . . . 0.0 113.285 176.029 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.53 ' HG2' ' O ' ' A' ' 47' ' ' MET . 68.2 mmtt -113.81 169.59 8.88 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.011 178.509 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . 0.509 ' HA ' HD23 ' A' ' 23' ' ' LEU . 5.0 m -136.57 152.17 50.19 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 109.814 -0.439 . . . . 0.0 109.814 176.001 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 178.7 -171.49 43.69 Favored Glycine 0 N--CA 1.445 -0.733 0 N-CA-C 111.469 -0.653 . . . . 0.0 111.469 -178.25 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 93.5 m-85 -105.39 125.09 50.59 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-O 120.926 0.393 . . . . 0.0 110.705 -179.162 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.469 ' CG1' ' HB3' ' A' ' 23' ' ' LEU . 27.6 m -109.16 147.87 36.83 Favored Pre-proline 0 C--N 1.321 -0.64 0 CA-C-O 121.111 0.481 . . . . 0.0 111.368 -179.468 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . 0.486 ' HG2' ' HB2' ' A' ' 57' ' ' TYR . 42.3 Cg_endo -66.08 122.57 10.13 Favored 'Trans proline' 0 C--O 1.237 0.453 0 C-N-CA 123.366 2.711 . . . . 0.0 112.264 179.218 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 10.9 m -64.63 -11.72 38.25 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.73 -0.668 . . . . 0.0 111.809 -177.47 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 69.8 m-20 -87.85 -11.62 47.28 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.524 -0.307 . . . . 0.0 110.85 -179.536 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . 0.486 ' HB2' ' HG2' ' A' ' 54' ' ' PRO . 45.5 m-85 -111.55 -16.53 13.26 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.82 0.343 . . . . 0.0 110.999 -179.511 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.752 HG12 HD13 ' A' ' 25' ' ' ILE . 33.3 m -118.31 155.38 20.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.267 -177.152 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.616 ' HG2' ' HB2' ' A' ' 12' ' ' LYS . 15.1 mm-40 . . . . . 0 C--N 1.326 -0.431 0 N-CA-C 109.114 -0.699 . . . . 0.0 109.114 179.221 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 71.7 t . . . . . 0 N--CA 1.446 -0.658 0 CA-C-O 121.396 0.617 . . . . 0.0 110.566 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.485 ' HB ' ' O ' ' A' ' 59' ' ' GLU . 8.2 m -107.84 176.46 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.31 -1.119 0 CA-C-N 114.591 -1.186 . . . . 0.0 109.169 179.146 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 10.7 p -139.4 144.35 29.12 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.059 0 N-CA-C 109.897 -0.408 . . . . 0.0 109.897 -178.887 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.575 ' HB1' HD12 ' A' ' 25' ' ' ILE . . . -83.52 131.96 34.97 Favored 'General case' 0 C--N 1.314 -0.957 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.988 -179.669 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.575 ' HB2' ' HG3' ' A' ' 59' ' ' GLU . 39.0 ttpt -83.88 -38.76 20.72 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 109.759 -0.46 . . . . 0.0 109.759 178.733 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.512 ' CE2' ' HE3' ' A' ' 12' ' ' LYS . 70.6 m-85 -134.96 163.48 29.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.953 176.686 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -65.74 135.89 55.52 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.557 -0.747 . . . . 0.0 111.179 178.169 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . 0.631 ' HB3' ' CG1' ' A' ' 25' ' ' ILE . 12.3 t80 -136.78 111.45 8.7 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 121.116 0.484 . . . . 0.0 110.063 171.517 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 47.6 t -86.8 132.23 32.89 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 CA-C-N 115.761 -0.654 . . . . 0.0 109.834 177.412 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.463 ' HB1' ' HB2' ' A' ' 22' ' ' GLU . . . -93.47 159.81 15.08 Favored 'General case' 0 C--N 1.318 -0.763 0 N-CA-C 108.894 -0.78 . . . . 0.0 108.894 -178.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 6.9 tt0 -65.62 -45.86 81.47 Favored 'General case' 0 C--N 1.32 -0.68 0 C-N-CA 120.225 -0.59 . . . . 0.0 110.513 -179.377 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 45.1 mt-30 -150.37 -178.69 6.67 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.7 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -66.35 -9.47 33.65 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-N 115.798 -0.637 . . . . 0.0 111.321 179.684 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.518 ' HG3' ' HG2' ' A' ' 22' ' ' GLU . 2.6 pt20 -68.53 -23.47 64.53 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.85 -0.613 . . . . 0.0 110.656 177.705 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.518 ' HG2' ' HG3' ' A' ' 21' ' ' GLN . 73.5 mm-40 -113.48 -177.39 3.12 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.703 -0.68 . . . . 0.0 109.251 179.684 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.78 ' HG ' HG23 ' A' ' 43' ' ' VAL . 0.7 OUTLIER -103.46 127.18 50.89 Favored 'General case' 0 N--CA 1.445 -0.718 0 N-CA-C 109.12 -0.696 . . . . 0.0 109.12 -178.497 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.7 p-10 -100.26 134.37 43.3 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 108.646 -0.872 . . . . 0.0 108.646 176.692 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.801 HD13 HG12 ' A' ' 58' ' ' VAL . 1.3 pt -131.22 150.18 34.14 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.788 0 CA-C-O 121.198 0.523 . . . . 0.0 110.741 -177.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.468 ' HB3' ' HB2' ' A' ' 29' ' ' GLU . 24.1 tptp -114.03 154.14 28.19 Favored 'General case' 0 C--N 1.316 -0.86 0 N-CA-C 108.681 -0.859 . . . . 0.0 108.681 -178.306 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 87.1 tttt -59.01 123.37 16.36 Favored 'General case' 0 N--CA 1.449 -0.523 0 C-N-CA 120.327 -0.549 . . . . 0.0 109.604 176.657 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 65.2 t30 72.8 26.57 2.32 Favored 'General case' 0 N--CA 1.471 0.584 0 O-C-N 124.196 0.935 . . . . 0.0 111.222 -177.919 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.468 ' HB2' ' HB3' ' A' ' 26' ' ' LYS . 6.2 tp10 -93.96 139.59 30.74 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 173.745 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.599 ' O ' HD13 ' A' ' 31' ' ' LEU . 3.7 ptm180 -91.22 135.7 33.6 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 179.759 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.599 HD13 ' O ' ' A' ' 30' ' ' ARG . 1.7 mm? -124.11 163.79 20.76 Favored 'General case' 0 C--N 1.316 -0.874 0 N-CA-C 109.018 -0.734 . . . . 0.0 109.018 178.571 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . 0.542 ' HB2' ' HB3' ' A' ' 44' ' ' ARG . 23.4 m-90 -102.43 122.81 45.04 Favored 'General case' 0 C--N 1.311 -1.1 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 175.265 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.578 ' HA ' HG12 ' A' ' 43' ' ' VAL . 33.4 tp -93.41 111.47 23.14 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-O 121.025 0.441 . . . . 0.0 110.81 -176.598 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -98.35 -44.9 6.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.883 -0.599 . . . . 0.0 109.989 -179.866 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . 0.576 ' HB3' ' HB3' ' A' ' 42' ' ' ARG . 14.8 t70 . . . . . 0 C--N 1.326 -0.426 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.33 -177.121 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' TRP . . . . . 0.59 ' HA ' ' O ' ' A' ' 53' ' ' VAL . 40.8 m95 . . . . . 0 N--CA 1.463 0.205 0 CA-C-O 121.65 0.738 . . . . 0.0 110.383 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 32.9 m0 -91.82 149.32 21.65 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.357 -0.838 . . . . 0.0 111.117 -171.894 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.576 ' HB3' ' HB3' ' A' ' 35' ' ' ASP . 32.1 ttt180 -92.56 108.7 20.17 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.533 -0.758 . . . . 0.0 109.854 178.697 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.78 HG23 ' HG ' ' A' ' 23' ' ' LEU . 8.3 m -125.45 162.18 28.72 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.885 -174.699 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.542 ' HB3' ' HB2' ' A' ' 32' ' ' TRP . 46.9 ttp180 -111.87 125.25 53.83 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.049 -0.978 . . . . 0.0 109.376 175.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . 0.592 ' HB2' HD11 ' A' ' 23' ' ' LEU . 28.0 t-20 -85.39 172.95 10.65 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.238 -179.901 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 6.5 m -60.89 -27.51 68.21 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.845 179.449 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 14.5 tpt -81.17 8.15 9.5 Favored 'General case' 0 CA--C 1.534 0.356 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.649 179.004 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 30.6 m-80 69.42 16.3 8.27 Favored 'General case' 0 N--CA 1.471 0.609 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.414 175.409 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.427 ' O ' ' HA ' ' A' ' 44' ' ' ARG . 74.4 mmtt -80.85 167.25 20.13 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.084 -0.507 . . . . 0.0 109.957 176.366 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . 0.419 ' HA ' HD23 ' A' ' 23' ' ' LEU . 4.0 m -142.9 153.4 43.08 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.624 0.25 . . . . 0.0 110.37 175.547 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . 0.428 ' O ' ' HA ' ' A' ' 42' ' ' ARG . . . 169.24 -170.22 42.42 Favored Glycine 0 N--CA 1.448 -0.524 0 N-CA-C 111.097 -0.801 . . . . 0.0 111.097 -178.883 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 56.8 m-85 -104.68 134.1 48.41 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.013 0.435 . . . . 0.0 111.082 -179.363 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.59 ' O ' ' HA ' ' A' ' 40' ' ' TRP . 22.0 m -121.25 146.85 45.6 Favored Pre-proline 0 C--N 1.323 -0.586 0 CA-C-N 115.494 -0.775 . . . . 0.0 111.278 -179.879 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . 0.602 ' HG2' ' HB2' ' A' ' 57' ' ' TYR . 37.0 Cg_endo -64.71 126.13 16.15 Favored 'Trans proline' 0 C--N 1.345 0.39 0 C-N-CA 123.138 2.559 . . . . 0.0 112.26 -179.609 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 12.2 m -65.53 -11.19 41.46 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.878 -0.601 . . . . 0.0 112.539 -174.57 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 14.0 m120 -93.22 -16.81 24.4 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.856 0.36 . . . . 0.0 111.284 -179.422 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . 0.602 ' HB2' ' HG2' ' A' ' 54' ' ' PRO . 71.9 m-85 -103.9 -20.67 13.82 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.965 0.412 . . . . 0.0 110.344 -179.214 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.801 HG12 HD13 ' A' ' 25' ' ' ILE . 31.5 m -109.51 156.18 10.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-N 116.002 -0.544 . . . . 0.0 109.836 176.312 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.575 ' HG3' ' HB2' ' A' ' 12' ' ' LYS . 17.3 mm-40 . . . . . 0 C--N 1.322 -0.604 0 CA-C-O 121.113 0.482 . . . . 0.0 111.988 -173.481 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.695 0 N-CA-C 112.09 -0.404 . . . . 0.0 112.09 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 35.2 t -165.75 144.86 6.22 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.753 0.311 . . . . 0.0 110.376 -177.518 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 62.4 mtm -126.49 87.62 2.7 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.175 0.512 . . . . 0.0 110.071 175.772 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -103.42 160.16 14.95 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.763 -0.653 . . . . 0.0 109.588 176.015 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 35.5 mm-40 -87.13 143.81 27.14 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.223 0.535 . . . . 0.0 111.219 -174.346 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.769 ' HG3' ' HE1' ' A' ' 32' ' ' TRP . 4.1 mm-40 -118.61 -170.33 1.88 Allowed 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.258 -0.883 . . . . 0.0 109.747 -176.728 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 4.2 p -76.96 84.02 0.79 Allowed 'Isoleucine or valine' 0 C--O 1.236 0.389 0 CA-C-O 122.369 1.08 . . . . 0.0 109.003 170.811 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.427 HG23 ' HB2' ' A' ' 6' ' ' GLU . 42.5 t -112.32 146.4 17.17 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 114.77 -1.104 . . . . 0.0 112.341 -169.072 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.49 HG11 HD22 ' A' ' 33' ' ' LEU . 15.8 m -119.52 -173.4 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.784 0 CA-C-N 114.778 -1.101 . . . . 0.0 109.304 175.225 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 11.0 p -140.45 144.89 26.7 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.75 0 C-N-CA 120.431 -0.508 . . . . 0.0 110.85 -178.497 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.426 ' HB3' ' O ' ' A' ' 26' ' ' LYS . . . -87.54 146.08 25.94 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-O 121.229 0.538 . . . . 0.0 111.124 179.185 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 12.4 mmmm -94.0 -44.98 7.8 Favored 'General case' 0 C--N 1.316 -0.869 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.232 179.694 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 87.2 m-85 -136.99 157.08 47.55 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.637 -179.028 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -60.81 131.06 49.49 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.133 178.733 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . 0.603 ' HB3' HG13 ' A' ' 25' ' ' ILE . 43.8 t80 -134.55 111.39 10.03 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 116.139 -0.482 . . . . 0.0 109.815 173.886 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 41.3 t -80.86 140.0 17.27 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 CA-C-N 115.762 -0.654 . . . . 0.0 109.594 178.551 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.513 ' HB1' ' HB2' ' A' ' 22' ' ' GLU . . . -92.37 153.5 19.14 Favored 'General case' 0 N--CA 1.444 -0.73 0 N-CA-C 109.149 -0.686 . . . . 0.0 109.149 -179.27 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 7.5 tt0 -66.72 -62.83 1.25 Allowed 'General case' 0 C--N 1.315 -0.897 0 N-CA-C 109.773 -0.454 . . . . 0.0 109.773 178.628 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . 0.794 ' HB2' ' HG2' ' A' ' 21' ' ' GLN . 78.5 mm-40 -131.24 176.88 7.91 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.543 -0.753 . . . . 0.0 109.135 171.935 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 -66.07 -3.43 5.45 Favored 'General case' 0 N--CA 1.468 0.448 0 CA-C-O 121.143 0.497 . . . . 0.0 111.4 175.852 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.794 ' HG2' ' HB2' ' A' ' 19' ' ' GLN . 14.0 pt20 -70.28 -21.88 62.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.448 0.642 . . . . 0.0 109.474 171.564 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.513 ' HB2' ' HB1' ' A' ' 17' ' ' ALA . 12.3 mm-40 -108.46 -179.24 3.82 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.005 -0.998 . . . . 0.0 108.796 179.457 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.693 ' HG ' HG23 ' A' ' 43' ' ' VAL . 0.8 OUTLIER -108.69 127.88 54.37 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 109.643 -0.503 . . . . 0.0 109.643 178.532 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -99.56 134.16 42.85 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 109.514 -0.551 . . . . 0.0 109.514 176.55 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.674 HD13 HG12 ' A' ' 58' ' ' VAL . 1.1 pp -130.98 152.94 38.41 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-O 121.068 0.461 . . . . 0.0 110.612 -177.293 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.426 ' O ' ' HB3' ' A' ' 11' ' ' ALA . 19.2 tptp -116.56 150.85 37.32 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 109.145 -0.687 . . . . 0.0 109.145 -176.017 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 62.4 tttm -56.24 129.67 41.23 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.758 0.313 . . . . 0.0 111.331 -179.239 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 6.3 m120 65.18 15.7 10.15 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 115.448 -0.797 . . . . 0.0 112.382 177.358 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -93.78 148.43 22.13 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 109.886 -0.413 . . . . 0.0 109.886 -179.073 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.517 ' O ' HD13 ' A' ' 31' ' ' LEU . 17.0 ptt-85 -88.22 132.66 34.27 Favored 'General case' 0 C--N 1.316 -0.87 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.863 -176.698 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.517 HD13 ' O ' ' A' ' 30' ' ' ARG . 1.5 mm? -120.11 165.45 14.72 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 109.904 -0.406 . . . . 0.0 109.904 177.505 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . 0.769 ' HE1' ' HG3' ' A' ' 6' ' ' GLU . 16.2 m-90 -102.63 124.47 48.24 Favored 'General case' 0 C--N 1.316 -0.887 0 N-CA-C 109.835 -0.432 . . . . 0.0 109.835 178.451 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.608 ' HA ' HG12 ' A' ' 43' ' ' VAL . 50.1 tp -100.56 127.2 47.01 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.092 0.472 . . . . 0.0 111.797 -172.355 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -108.3 -61.46 1.59 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.67 -0.695 . . . . 0.0 110.369 178.781 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . 0.629 ' HB2' ' HB3' ' A' ' 42' ' ' ARG . 2.7 m-20 -115.99 122.44 45.24 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.82 -179.127 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . 0.532 ' HB3' HD21 ' A' ' 33' ' ' LEU . 10.6 p-10 -124.08 28.63 6.71 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.878 -0.601 . . . . 0.0 109.756 178.887 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 20.5 t -98.32 3.94 48.67 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.927 -0.579 . . . . 0.0 112.469 -171.556 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 16.6 ptmt -141.11 -176.07 4.56 Favored 'General case' 0 C--N 1.326 -0.415 0 C-N-CA 120.349 -0.541 . . . . 0.0 111.277 -179.156 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 21.1 m -56.92 -53.91 52.58 Favored 'General case' 0 C--N 1.331 -0.224 0 O-C-N 123.746 0.654 . . . . 0.0 111.807 -176.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' TRP . . . . . 0.612 ' HB3' ' HB3' ' A' ' 52' ' ' PHE . 20.2 m95 -96.62 125.46 41.1 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.15 178.113 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 47.2 m0 -80.31 143.49 33.58 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.314 0.578 . . . . 0.0 111.647 -175.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.629 ' HB3' ' HB2' ' A' ' 35' ' ' ASP . 45.6 ttt180 -95.59 107.86 20.08 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 115.157 -0.928 . . . . 0.0 109.538 179.459 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.693 HG23 ' HG ' ' A' ' 23' ' ' LEU . 6.4 m -131.43 165.42 31.68 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 CA-C-O 121.435 0.636 . . . . 0.0 112.182 -174.912 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.571 ' HG3' ' O ' ' A' ' 49' ' ' LYS . 28.3 ttm180 -124.71 137.12 54.36 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 114.596 -1.183 . . . . 0.0 108.812 172.898 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 30.3 p30 -100.89 -174.11 2.54 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-O 120.971 0.415 . . . . 0.0 111.61 -178.809 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 6.8 m -67.23 -17.11 64.67 Favored 'General case' 0 CA--C 1.531 0.216 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.896 177.712 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 14.5 tpt -82.95 11.62 5.93 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.939 -0.573 . . . . 0.0 109.82 179.706 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 6.5 p30 48.71 28.77 1.95 Allowed 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 124.469 1.108 . . . . 0.0 112.594 178.105 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.571 ' O ' ' HG3' ' A' ' 44' ' ' ARG . 69.0 mmtt -107.28 166.5 10.59 Favored 'General case' 0 N--CA 1.448 -0.552 0 N-CA-C 109.264 -0.643 . . . . 0.0 109.264 173.755 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . 0.483 ' HA ' HD23 ' A' ' 23' ' ' LEU . 3.7 m -137.68 152.6 49.46 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 120.92 0.39 . . . . 0.0 110.731 -176.572 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 174.34 -163.75 34.57 Favored Glycine 0 N--CA 1.444 -0.792 0 CA-C-N 115.75 -0.659 . . . . 0.0 111.527 -178.488 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.612 ' HB3' ' HB3' ' A' ' 40' ' ' TRP . 11.9 m-30 -105.9 143.44 34.03 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 120.806 0.336 . . . . 0.0 110.321 -179.727 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.51 HG13 ' HB3' ' A' ' 23' ' ' LEU . 16.1 m -128.13 150.52 74.1 Favored Pre-proline 0 C--N 1.322 -0.602 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.671 178.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.468 ' O ' HG22 ' A' ' 58' ' ' VAL . 64.4 Cg_endo -73.51 130.3 14.76 Favored 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 123.46 2.773 . . . . 0.0 112.529 179.024 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 11.9 p -67.35 -11.84 58.67 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.905 -0.589 . . . . 0.0 112.186 -176.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 85.7 m-20 -80.36 -20.03 45.07 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.761 0.315 . . . . 0.0 111.024 178.283 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 92.0 m-85 -109.4 -17.04 13.88 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.147 -178.388 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.674 HG12 HD13 ' A' ' 25' ' ' ILE . 20.5 m -128.41 148.11 32.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-O 120.513 0.197 . . . . 0.0 111.028 -178.794 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 57.8 mt-10 -148.16 166.97 26.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.043 178.755 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . 0.446 ' HA ' HG12 ' A' ' 9' ' ' VAL . 68.9 mtt180 -73.62 153.37 40.2 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 175.313 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 22.6 pttp -68.54 143.61 54.86 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.359 177.186 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 11.3 t30 -90.06 -16.2 30.2 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 121.423 0.63 . . . . 0.0 109.561 178.709 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 28.8 p . . . . . 0 C--O 1.25 1.091 0 CA-C-N 115.366 -0.834 . . . . 0.0 110.213 177.475 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.697 0 N-CA-C 112.085 -0.406 . . . . 0.0 112.085 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 53.4 m -67.86 108.74 3.12 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.969 0.414 . . . . 0.0 110.437 177.134 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 26.5 mmt -113.49 124.67 52.94 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.223 -179.272 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -89.3 162.12 16.01 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.093 177.127 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 7.2 mp0 -81.63 91.22 6.38 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 121.231 0.539 . . . . 0.0 110.113 -179.589 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -70.01 146.37 51.1 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.512 -0.767 . . . . 0.0 110.435 179.003 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 12.0 m -73.35 118.9 19.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-O 121.376 0.608 . . . . 0.0 110.992 179.82 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 37.8 t -95.81 137.84 22.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-N 115.604 -0.725 . . . . 0.0 111.289 -178.099 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.58 HG11 HD22 ' A' ' 33' ' ' LEU . 19.0 m -105.02 175.88 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 CA-C-N 115.091 -0.959 . . . . 0.0 109.317 176.829 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 12.3 p -135.47 154.71 35.63 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.928 0 N-CA-C 109.641 -0.503 . . . . 0.0 109.641 -178.915 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.409 ' HA ' ' HA ' ' A' ' 58' ' ' VAL . . . -100.36 146.79 26.55 Favored 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 112.184 0.438 . . . . 0.0 112.184 -177.107 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.654 ' HG2' ' HG2' ' A' ' 59' ' ' GLU . 62.8 mmtt -79.67 -55.71 4.82 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.911 176.192 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 83.8 m-85 -136.85 161.76 35.09 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.411 -0.359 . . . . 0.0 111.473 -175.091 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -50.75 129.53 23.11 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-N 115.398 -0.819 . . . . 0.0 112.569 176.739 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . 0.58 ' HB3' HG13 ' A' ' 25' ' ' ILE . 7.0 t80 -136.49 109.54 7.71 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 109.295 -0.631 . . . . 0.0 109.295 167.457 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.402 ' HA ' ' OD1' ' A' ' 24' ' ' ASP . 65.9 t -93.38 129.96 43.08 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.652 0 CA-C-N 115.777 -0.647 . . . . 0.0 109.923 -179.347 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -89.13 125.97 35.26 Favored 'General case' 0 C--N 1.316 -0.869 0 N-CA-C 109.407 -0.59 . . . . 0.0 109.407 179.786 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -64.7 -26.85 68.55 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.226 0.536 . . . . 0.0 110.519 -178.327 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 25.7 mm-40 -134.42 143.93 47.87 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.796 -0.638 . . . . 0.0 109.482 175.784 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.434 ' OE2' ' HE3' ' A' ' 49' ' ' LYS . 47.7 mt-10 -70.53 -1.84 12.21 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 111.893 0.331 . . . . 0.0 111.893 -179.524 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 7.4 pt20 -62.92 -27.48 69.4 Favored 'General case' 0 CA--C 1.532 0.275 0 N-CA-C 109.15 -0.685 . . . . 0.0 109.15 172.639 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.403 ' HA ' ' HA3' ' A' ' 51' ' ' GLY . 73.3 mm-40 -101.47 -176.89 3.27 Favored 'General case' 0 N--CA 1.453 -0.279 0 CA-C-N 115.161 -0.927 . . . . 0.0 109.513 178.192 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.888 ' HG ' HG23 ' A' ' 43' ' ' VAL . 0.7 OUTLIER -103.15 128.34 50.12 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-O 121.286 0.565 . . . . 0.0 110.096 -176.959 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.402 ' OD1' ' HA ' ' A' ' 16' ' ' VAL . 16.0 t70 -96.89 127.1 42.53 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.57 -0.741 . . . . 0.0 110.266 179.545 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.706 HD13 HG12 ' A' ' 58' ' ' VAL . 1.0 OUTLIER -132.3 160.32 42.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 121.174 0.512 . . . . 0.0 111.315 -175.805 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.527 ' HB3' ' HB2' ' A' ' 29' ' ' GLU . 2.8 tppp? -128.54 160.29 32.81 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 109.444 -0.576 . . . . 0.0 109.444 -176.271 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.431 ' HG3' ' O ' ' A' ' 12' ' ' LYS . 83.8 tttt -55.8 124.81 18.76 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-N 117.819 0.281 . . . . 0.0 110.548 176.052 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 6.4 t30 66.43 22.51 10.71 Favored 'General case' 0 N--CA 1.466 0.367 0 CA-C-N 115.543 -0.753 . . . . 0.0 110.977 177.533 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.527 ' HB2' ' HB3' ' A' ' 26' ' ' LYS . 10.1 tp10 -88.96 144.9 25.85 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 109.821 -0.437 . . . . 0.0 109.821 177.43 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.611 ' O ' HD13 ' A' ' 31' ' ' LEU . 5.2 ptp85 -92.97 132.35 37.15 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 116.451 -0.34 . . . . 0.0 110.27 -177.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.611 HD13 ' O ' ' A' ' 30' ' ' ARG . 1.8 mm? -124.83 165.51 17.89 Favored 'General case' 0 C--N 1.322 -0.629 0 C-N-CA 120.755 -0.378 . . . . 0.0 110.205 178.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 19.6 m-90 -102.61 122.88 45.28 Favored 'General case' 0 C--N 1.319 -0.76 0 N-CA-C 109.758 -0.46 . . . . 0.0 109.758 176.766 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.601 HD21 ' HB3' ' A' ' 36' ' ' ASP . 35.7 tp -102.1 128.12 48.71 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.042 0.449 . . . . 0.0 111.644 -172.617 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.411 HD22 ' N ' ' A' ' 34' ' ' LEU . 1.9 mm? -109.9 -48.57 3.19 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.198 179.609 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . 0.595 ' HB2' ' HB3' ' A' ' 42' ' ' ARG . 7.3 m-20 -129.23 120.43 25.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.664 -177.888 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . 0.601 ' HB3' HD21 ' A' ' 33' ' ' LEU . 4.8 p-10 -134.34 31.76 3.44 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.012 0.434 . . . . 0.0 111.144 178.41 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 53.4 p -73.99 -24.14 59.56 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 112.183 0.438 . . . . 0.0 112.183 -176.163 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 87.2 tttt -159.96 126.8 4.43 Favored 'General case' 0 CA--C 1.53 0.179 0 N-CA-C 112.393 0.516 . . . . 0.0 112.393 -175.208 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 30.8 p 42.18 -93.17 0.02 OUTLIER 'General case' 0 N--CA 1.476 0.858 0 N-CA-C 114.425 1.269 . . . . 0.0 114.425 169.175 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 71.5 m95 -76.79 104.04 7.07 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.112 0.482 . . . . 0.0 110.39 -176.148 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . 0.528 ' CD1' ' HA ' ' A' ' 36' ' ' ASP . 50.6 m0 -80.72 142.37 33.92 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.457 -0.792 . . . . 0.0 111.499 -175.047 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.595 ' HB3' ' HB2' ' A' ' 35' ' ' ASP . 42.2 ttt180 -95.26 111.38 23.25 Favored 'General case' 0 C--N 1.317 -0.832 0 CA-C-N 114.952 -1.022 . . . . 0.0 109.675 -176.454 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.888 HG23 ' HG ' ' A' ' 23' ' ' LEU . 3.9 m -132.73 168.17 24.85 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-O 121.4 0.619 . . . . 0.0 112.502 -173.351 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 39.5 ttm180 -130.29 135.31 47.96 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 114.545 -1.207 . . . . 0.0 108.666 174.458 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . 0.543 ' HB3' HD11 ' A' ' 23' ' ' LEU . 33.1 p30 -98.3 179.26 4.79 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 121.037 0.446 . . . . 0.0 111.54 -178.785 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 18.4 m -69.76 -8.61 49.55 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.671 -0.695 . . . . 0.0 111.428 -178.204 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' MET . . . . . 0.544 ' HA ' ' CE ' ' A' ' 47' ' ' MET . 2.7 tpt -91.23 4.69 51.64 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.069 0.461 . . . . 0.0 109.88 177.292 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 32.9 m-80 72.02 8.39 5.95 Favored 'General case' 0 N--CA 1.468 0.426 0 CA-C-N 115.325 -0.852 . . . . 0.0 111.476 173.094 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.434 ' HE3' ' OE2' ' A' ' 20' ' ' GLU . 74.6 mmtt -83.98 160.08 21.11 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 108.593 -0.892 . . . . 0.0 108.593 174.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . 0.511 ' HA ' HD23 ' A' ' 23' ' ' LEU . 3.4 m -135.65 152.46 51.23 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 110.041 -0.355 . . . . 0.0 110.041 -179.295 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . 0.403 ' HA3' ' HA ' ' A' ' 22' ' ' GLU . . . 171.38 -165.48 38.49 Favored Glycine 0 N--CA 1.451 -0.309 0 N-CA-C 111.528 -0.629 . . . . 0.0 111.528 -178.501 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 99.8 m-85 -107.82 152.3 24.57 Favored 'General case' 0 N--CA 1.452 -0.356 0 CA-C-O 121.122 0.487 . . . . 0.0 110.578 -179.8 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.461 HG13 ' HB3' ' A' ' 23' ' ' LEU . 23.6 m -133.65 150.72 75.6 Favored Pre-proline 0 C--N 1.322 -0.609 0 CA-C-N 115.719 -0.673 . . . . 0.0 111.399 179.301 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 58.6 Cg_endo -71.32 123.86 9.92 Favored 'Trans proline' 0 N--CA 1.464 -0.26 0 C-N-CA 123.165 2.576 . . . . 0.0 111.856 176.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 9.3 p -60.94 -22.5 64.46 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.141 0.496 . . . . 0.0 111.464 -178.816 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 14.3 m120 -69.28 -22.14 63.84 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.511 -179.216 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 83.7 m-85 -113.26 -2.1 14.14 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 111.804 0.298 . . . . 0.0 111.804 -175.535 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.706 HG12 HD13 ' A' ' 25' ' ' ILE . 27.4 m -128.8 171.18 17.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-O 120.622 0.249 . . . . 0.0 111.21 -177.507 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.654 ' HG2' ' HG2' ' A' ' 12' ' ' LYS . 13.4 mm-40 -133.64 167.49 20.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.616 -179.892 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . 0.527 ' HG3' ' CZ3' ' A' ' 41' ' ' TRP . 45.5 mtm180 -110.03 -167.07 1.15 Allowed 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 112.961 0.726 . . . . 0.0 112.961 -176.704 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.508 ' HE2' HD23 ' A' ' 33' ' ' LEU . 0.8 OUTLIER -75.2 103.44 5.37 Favored 'General case' 0 N--CA 1.45 -0.43 0 CA-C-N 114.351 -1.295 . . . . 0.0 111.069 -177.02 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 3.9 p-10 -168.17 156.74 8.92 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.912 -0.585 . . . . 0.0 109.976 177.261 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 66.2 m . . . . . 0 C--O 1.251 1.146 0 CA-C-O 118.286 -0.864 . . . . 0.0 110.336 178.727 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.733 0 N-CA-C 111.687 -0.565 . . . . 0.0 111.687 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 33.5 t -91.13 123.34 34.51 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 120.839 0.352 . . . . 0.0 110.19 -179.86 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 26.5 ttt -143.55 116.95 9.07 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.341 177.17 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -78.62 178.2 8.01 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 116.085 -0.507 . . . . 0.0 109.969 175.39 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -79.82 74.88 6.53 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 121.535 0.683 . . . . 0.0 109.83 178.695 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 36.3 mt-10 -75.84 126.01 30.17 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 114.99 -1.005 . . . . 0.0 110.346 -178.013 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 18.8 m -77.54 154.69 5.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-O 121.331 0.586 . . . . 0.0 111.376 -177.201 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.523 ' CG1' ' HB2' ' A' ' 30' ' ' ARG . 48.7 t -107.59 136.5 42.65 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 CA-C-N 115.741 -0.663 . . . . 0.0 112.092 -172.927 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 12.7 m -107.94 -177.17 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.676 0 CA-C-N 114.707 -1.133 . . . . 0.0 108.866 174.435 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 13.7 p -140.9 147.84 22.29 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.662 0 O-C-N 121.954 -0.466 . . . . 0.0 110.608 -177.798 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.413 ' HB3' ' O ' ' A' ' 26' ' ' LYS . . . -89.36 145.92 25.03 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 120.887 0.375 . . . . 0.0 111.641 -178.025 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.693 ' HB2' ' HG3' ' A' ' 59' ' ' GLU . 16.7 tptm -90.03 -45.58 9.07 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.367 -178.757 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 79.3 m-85 -134.71 160.88 36.76 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.66 178.083 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 31.8 m-20 -63.09 131.3 48.09 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.733 -0.667 . . . . 0.0 111.699 179.66 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . 0.529 ' HB3' ' CG1' ' A' ' 25' ' ' ILE . 35.6 t80 -136.23 110.34 8.32 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.02 0.438 . . . . 0.0 110.107 170.835 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 39.9 t -96.17 127.96 47.8 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.772 0 N-CA-C 109.529 -0.545 . . . . 0.0 109.529 177.913 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.589 ' HB1' ' HG3' ' A' ' 22' ' ' GLU . . . -81.61 169.5 16.97 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 109.306 -0.627 . . . . 0.0 109.306 -177.639 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 10.1 mt-30 -90.24 -33.59 16.1 Favored 'General case' 0 C--N 1.316 -0.866 0 CA-C-O 121.161 0.505 . . . . 0.0 110.544 -177.389 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . 0.648 ' HB3' ' HG2' ' A' ' 21' ' ' GLN . 6.0 tp60 -140.13 158.92 43.28 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.434 -0.803 . . . . 0.0 109.274 -178.711 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -72.48 -3.61 25.43 Favored 'General case' 0 CA--C 1.535 0.394 0 C-N-CA 120.599 -0.44 . . . . 0.0 111.383 -179.061 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.648 ' HG2' ' HB3' ' A' ' 19' ' ' GLN . 13.3 pt20 -66.75 -25.69 66.62 Favored 'General case' 0 N--CA 1.463 0.187 0 CA-C-O 121.285 0.564 . . . . 0.0 109.835 174.751 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.589 ' HG3' ' HB1' ' A' ' 17' ' ' ALA . 1.2 pt-20 -108.64 179.61 4.14 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.041 -0.981 . . . . 0.0 108.956 176.419 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.543 HD11 ' HB2' ' A' ' 45' ' ' ASN . 0.6 OUTLIER -104.92 128.75 53.29 Favored 'General case' 0 C--N 1.322 -0.623 0 C-N-CA 120.339 -0.544 . . . . 0.0 109.924 -173.944 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.3 p-10 -100.37 134.09 43.83 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 109.522 -0.547 . . . . 0.0 109.522 175.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.721 HD13 HG12 ' A' ' 58' ' ' VAL . 1.0 OUTLIER -129.16 163.11 35.13 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.742 0 CA-C-O 120.954 0.406 . . . . 0.0 110.561 -175.978 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.595 ' HB3' ' HB2' ' A' ' 29' ' ' GLU . 33.8 tptt -125.84 153.68 43.76 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 108.883 -0.784 . . . . 0.0 108.883 -178.179 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.403 ' HG3' ' O ' ' A' ' 12' ' ' LYS . 79.0 tttt -59.27 129.49 42.32 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.592 0.234 . . . . 0.0 110.554 178.796 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 7.4 t30 67.71 14.45 9.5 Favored 'General case' 0 N--CA 1.467 0.408 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.984 177.548 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.595 ' HB2' ' HB3' ' A' ' 26' ' ' LYS . 9.2 tp10 -91.55 151.61 20.66 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 109.562 -0.532 . . . . 0.0 109.562 -179.789 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.62 ' O ' HD13 ' A' ' 31' ' ' LEU . 4.4 ptp180 -87.94 141.24 28.74 Favored 'General case' 0 C--N 1.314 -0.939 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.355 -177.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.62 HD13 ' O ' ' A' ' 30' ' ' ARG . 2.5 mm? -128.82 166.12 19.66 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 109.037 -0.727 . . . . 0.0 109.037 173.613 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . 0.416 ' HE3' ' O ' ' A' ' 44' ' ' ARG . 19.2 m-90 -104.52 115.92 31.19 Favored 'General case' 0 C--N 1.315 -0.932 0 N-CA-C 109.394 -0.595 . . . . 0.0 109.394 174.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.547 ' HA ' HG12 ' A' ' 43' ' ' VAL . 36.0 tp -92.55 115.81 28.44 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 120.963 0.411 . . . . 0.0 110.788 -175.219 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.418 ' HB2' ' HD2' ' A' ' 42' ' ' ARG . 1.6 mm? -93.0 -55.1 3.47 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.628 -0.715 . . . . 0.0 110.044 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -147.61 120.05 8.47 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.149 -179.177 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 12.2 p-10 -99.98 59.61 1.05 Allowed 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 122.069 0.938 . . . . 0.0 109.08 174.884 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 35.9 t -56.79 -38.91 73.19 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 114.473 -1.239 . . . . 0.0 112.221 -175.291 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.655 ' HG2' ' H ' ' A' ' 39' ' ' SER . 31.0 ttpt -147.99 -154.87 0.58 Allowed 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 108.961 -0.755 . . . . 0.0 108.961 -176.528 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.655 ' H ' ' HG2' ' A' ' 38' ' ' LYS . 25.4 m -66.09 -15.76 63.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.369 0.604 . . . . 0.0 110.24 174.737 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' TRP . . . . . 0.467 ' HB3' ' HB3' ' A' ' 52' ' ' PHE . 26.7 m0 -92.24 110.85 22.25 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.36 -0.836 . . . . 0.0 109.028 172.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . 0.497 ' CH2' ' HG3' ' A' ' 60' ' ' ARG . 35.0 m0 -95.63 124.96 39.9 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 120.636 0.255 . . . . 0.0 110.521 -179.334 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.418 ' HD2' ' HB2' ' A' ' 34' ' ' LEU . 16.6 ttm180 -83.08 106.91 15.27 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 109.563 -0.532 . . . . 0.0 109.563 176.794 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.547 HG12 ' HA ' ' A' ' 33' ' ' LEU . 4.4 m -128.28 160.95 37.72 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.82 0 CA-C-N 115.821 -0.627 . . . . 0.0 111.438 -177.773 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.442 ' HG3' ' O ' ' A' ' 49' ' ' LYS . 44.4 ttm180 -125.12 131.2 53.31 Favored 'General case' 0 C--N 1.316 -0.891 0 CA-C-N 115.069 -0.969 . . . . 0.0 109.349 176.756 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . 0.543 ' HB2' HD11 ' A' ' 23' ' ' LEU . 19.1 t-20 -95.62 179.92 4.96 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 108.406 -0.961 . . . . 0.0 108.406 176.709 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 9.8 p -70.49 -7.62 44.93 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.069 0.461 . . . . 0.0 111.373 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' MET . . . . . 0.44 ' C ' ' H ' ' A' ' 49' ' ' LYS . 45.8 tpp -78.51 6.58 8.29 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.759 178.653 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 25.6 m-80 74.99 -20.72 0.32 Allowed 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 123.686 0.795 . . . . 0.0 111.279 177.382 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.442 ' O ' ' HG3' ' A' ' 44' ' ' ARG . 27.7 mmmt -72.99 162.34 29.62 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.991 -177.474 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . 0.522 ' HA ' HD23 ' A' ' 23' ' ' LEU . 4.3 m -142.47 155.02 45.03 Favored 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 109.208 -0.664 . . . . 0.0 109.208 -178.329 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . 0.414 ' O ' ' HA ' ' A' ' 42' ' ' ARG . . . 179.32 -165.87 34.93 Favored Glycine 0 N--CA 1.443 -0.853 0 C-N-CA 120.77 -0.729 . . . . 0.0 111.729 179.872 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.467 ' HB3' ' HB3' ' A' ' 40' ' ' TRP . 97.3 m-85 -109.3 127.66 54.47 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 120.81 0.338 . . . . 0.0 110.201 179.894 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.443 HG13 ' HB3' ' A' ' 23' ' ' LEU . 30.1 m -113.48 155.43 44.77 Favored Pre-proline 0 C--N 1.319 -0.726 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.96 178.92 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.501 ' O ' HG22 ' A' ' 58' ' ' VAL . 49.3 Cg_endo -69.16 127.82 15.64 Favored 'Trans proline' 0 C--O 1.233 0.245 0 C-N-CA 123.21 2.606 . . . . 0.0 112.76 178.715 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 45.2 t -67.33 -11.62 58.09 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.316 -179.852 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 11.2 t30 -80.08 -23.93 40.95 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.807 0.337 . . . . 0.0 111.1 178.574 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . 0.435 ' HB2' ' HG2' ' A' ' 54' ' ' PRO . 87.6 m-85 -107.33 -22.18 12.68 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 111.689 0.255 . . . . 0.0 111.689 -175.799 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.721 HG12 HD13 ' A' ' 25' ' ' ILE . 34.3 m -111.53 153.09 13.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 N-CA-C 110.309 -0.256 . . . . 0.0 110.309 177.565 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.693 ' HG3' ' HB2' ' A' ' 12' ' ' LYS . 27.7 mt-10 -136.24 166.21 23.94 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.308 0.575 . . . . 0.0 111.169 -179.048 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . 0.497 ' HG3' ' CH2' ' A' ' 41' ' ' TRP . 65.2 mtt85 -79.48 165.92 22.52 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.799 -0.637 . . . . 0.0 109.553 172.727 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 22.2 pttm -69.78 125.68 27.46 Favored 'General case' 0 C--N 1.324 -0.537 0 C-N-CA 120.734 -0.387 . . . . 0.0 110.501 -177.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 83.2 m-20 74.17 143.39 0.07 Allowed 'General case' 0 N--CA 1.465 0.315 0 CA-C-N 115.213 -0.903 . . . . 0.0 110.791 -176.848 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 19.6 m . . . . . 0 C--O 1.248 1.017 0 CA-C-O 118.539 -0.743 . . . . 0.0 109.99 178.278 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.769 0 N-CA-C 111.904 -0.478 . . . . 0.0 111.904 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 49.6 m -143.53 141.63 30.8 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 109.888 -0.412 . . . . 0.0 109.888 175.381 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 64.7 mtt -89.14 97.75 11.38 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 120.885 0.374 . . . . 0.0 110.478 -177.478 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -149.21 176.43 10.52 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.256 -179.826 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 30.7 tt0 -73.52 121.31 20.39 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.874 0.369 . . . . 0.0 110.541 -179.052 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -115.15 163.07 16.17 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.14 -0.482 . . . . 0.0 109.877 178.65 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 59.2 t -66.83 110.27 1.49 Allowed 'Isoleucine or valine' 0 C--O 1.237 0.403 0 CA-C-O 121.038 0.447 . . . . 0.0 111.199 -176.088 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.418 ' O ' ' HE3' ' A' ' 61' ' ' LYS . 64.2 t -110.91 139.29 35.4 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.436 0 CA-C-O 121.459 0.647 . . . . 0.0 111.639 -178.476 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.557 HG11 HD22 ' A' ' 33' ' ' LEU . 12.7 m -118.0 -171.22 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.803 0 CA-C-N 114.709 -1.132 . . . . 0.0 109.227 178.211 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 13.2 p -141.26 148.54 21.21 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.687 0 O-C-N 121.928 -0.482 . . . . 0.0 110.513 179.412 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.503 ' HB1' HD12 ' A' ' 25' ' ' ILE . . . -88.03 145.36 26.02 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.88 0.371 . . . . 0.0 111.586 -179.285 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.66 ' HB2' ' HG2' ' A' ' 59' ' ' GLU . 16.9 tptm -90.19 -47.38 7.83 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.085 -178.694 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 82.7 m-85 -138.85 157.87 45.25 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.625 178.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.521 ' OD2' ' HD2' ' A' ' 26' ' ' LYS . 1.9 m-20 -51.31 129.96 25.89 Favored 'General case' 0 N--CA 1.465 0.314 0 N-CA-C 112.655 0.613 . . . . 0.0 112.655 176.541 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . 0.641 ' HB3' ' CG1' ' A' ' 25' ' ' ILE . 55.3 t80 -135.73 115.11 12.58 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.905 -0.588 . . . . 0.0 109.486 169.218 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 47.1 t -93.92 126.19 46.39 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.749 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.844 -176.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.644 ' HB1' ' HB2' ' A' ' 22' ' ' GLU . . . -84.23 150.93 25.13 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 108.512 -0.922 . . . . 0.0 108.512 174.137 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -90.04 -31.11 17.32 Favored 'General case' 0 C--N 1.319 -0.718 0 C-N-CA 120.525 -0.47 . . . . 0.0 110.433 -178.563 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . 0.478 ' HB2' ' HG2' ' A' ' 21' ' ' GLN . 0.0 OUTLIER -135.37 165.12 26.19 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.437 177.376 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.425 ' HB3' ' HD2' ' A' ' 49' ' ' LYS . 59.3 mt-10 -71.89 -3.25 21.35 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.514 178.735 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.478 ' HG2' ' HB2' ' A' ' 19' ' ' GLN . 11.2 pt20 -77.79 -11.7 59.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.788 0.804 . . . . 0.0 109.316 174.68 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.644 ' HB2' ' HB1' ' A' ' 17' ' ' ALA . 26.9 mt-10 -115.47 175.93 5.3 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 114.671 -1.15 . . . . 0.0 108.502 -179.436 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.966 ' HG ' HG23 ' A' ' 43' ' ' VAL . 0.6 OUTLIER -105.48 128.15 53.39 Favored 'General case' 0 C--N 1.319 -0.726 0 C-N-CA 120.25 -0.58 . . . . 0.0 109.897 -178.151 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -98.92 128.71 45.16 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 109.572 -0.529 . . . . 0.0 109.572 178.551 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.807 HD13 HG12 ' A' ' 58' ' ' VAL . 1.0 OUTLIER -131.57 151.09 34.88 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-O 121.523 0.678 . . . . 0.0 111.266 -178.411 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.58 ' HB3' ' HB2' ' A' ' 29' ' ' GLU . 49.4 tptt -117.02 149.84 39.61 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 115.311 -0.859 . . . . 0.0 108.718 -179.275 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 86.8 tttt -55.48 125.43 20.93 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 110.011 -0.366 . . . . 0.0 110.011 175.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 10.0 t30 75.19 12.9 3.27 Favored 'General case' 0 N--CA 1.473 0.691 0 O-C-N 124.03 0.831 . . . . 0.0 111.482 178.438 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.58 ' HB2' ' HB3' ' A' ' 26' ' ' LYS . 12.4 tp10 -89.68 144.12 26.25 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 109.568 -0.53 . . . . 0.0 109.568 -179.36 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.86 HH11 ' HG2' ' A' ' 30' ' ' ARG . 0.0 OUTLIER -87.59 138.87 31.09 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 109.509 -0.552 . . . . 0.0 109.509 179.72 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.478 HD13 ' O ' ' A' ' 30' ' ' ARG . 2.3 mm? -122.5 166.95 13.96 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 109.079 -0.711 . . . . 0.0 109.079 175.326 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . 0.455 ' HB2' ' HB3' ' A' ' 44' ' ' ARG . 11.7 m-90 -102.65 126.06 49.61 Favored 'General case' 0 C--N 1.316 -0.881 0 N-CA-C 109.127 -0.694 . . . . 0.0 109.127 175.352 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.583 HD21 ' HB3' ' A' ' 36' ' ' ASP . 46.7 tp -100.51 125.67 46.87 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-O 120.933 0.397 . . . . 0.0 112.037 -171.826 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -106.7 -36.01 6.84 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.728 178.8 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -152.36 135.91 16.07 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.622 0.249 . . . . 0.0 110.843 176.606 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . 0.583 ' HB3' HD21 ' A' ' 33' ' ' LEU . 8.9 p-10 -133.87 16.23 3.9 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.781 -179.492 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 79.3 p -82.73 -8.4 59.59 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.956 0.408 . . . . 0.0 111.111 -177.702 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.514 ' HG3' ' H ' ' A' ' 39' ' ' SER . 46.4 tptt -103.64 179.2 4.34 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 109.804 -0.443 . . . . 0.0 109.804 -178.915 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.514 ' H ' ' HG3' ' A' ' 38' ' ' LYS . 22.9 t -82.38 -24.97 34.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.653 0.739 . . . . 0.0 109.418 173.856 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -111.22 106.92 16.07 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 108.455 -0.943 . . . . 0.0 108.455 176.102 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . 0.51 ' O ' ' HA ' ' A' ' 52' ' ' PHE . 52.4 m0 -82.97 141.74 31.9 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 112.077 0.399 . . . . 0.0 112.077 -170.863 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 37.0 ttm-85 -91.16 115.69 28.22 Favored 'General case' 0 C--O 1.238 0.477 0 CA-C-N 116.226 -0.443 . . . . 0.0 109.9 174.622 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.966 HG23 ' HG ' ' A' ' 23' ' ' LEU . 5.7 m -133.26 166.76 28.31 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.745 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.392 -179.301 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.455 ' HB3' ' HB2' ' A' ' 32' ' ' TRP . 59.4 ttp180 -124.78 125.76 44.54 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.132 -0.94 . . . . 0.0 109.246 176.806 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . 0.482 ' H ' HD21 ' A' ' 23' ' ' LEU . 53.6 t30 -84.6 170.87 12.94 Favored 'General case' 0 C--N 1.318 -0.779 0 N-CA-C 110.102 -0.333 . . . . 0.0 110.102 -179.181 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 20.2 t -67.18 -20.39 65.72 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.106 0.479 . . . . 0.0 110.29 -178.537 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' MET . . . . . 0.481 ' HA ' ' CE ' ' A' ' 47' ' ' MET . 3.0 tpt -80.29 6.7 11.27 Favored 'General case' 0 CA--C 1.532 0.255 0 CA-C-O 121.113 0.482 . . . . 0.0 110.084 177.394 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 29.9 m-80 69.59 12.47 8.15 Favored 'General case' 0 N--CA 1.468 0.469 0 CA-C-N 115.645 -0.707 . . . . 0.0 111.628 174.277 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.425 ' HD2' ' HB3' ' A' ' 20' ' ' GLU . 71.7 mmtt -82.38 156.03 24.4 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 108.774 -0.825 . . . . 0.0 108.774 175.087 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . 0.42 ' HA ' HD23 ' A' ' 23' ' ' LEU . 1.9 m -131.44 152.19 50.89 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 120.866 0.365 . . . . 0.0 110.745 179.124 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 172.39 -161.01 32.54 Favored Glycine 0 N--CA 1.446 -0.674 0 N-CA-C 111.33 -0.708 . . . . 0.0 111.33 -179.715 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.51 ' HA ' ' O ' ' A' ' 41' ' ' TRP . 93.8 m-85 -118.63 147.84 43.33 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 109.733 -0.469 . . . . 0.0 109.733 179.757 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.582 HG23 HG21 ' A' ' 58' ' ' VAL . 13.9 m -130.55 150.72 77.11 Favored Pre-proline 0 C--N 1.321 -0.666 0 CA-C-N 116.129 -0.487 . . . . 0.0 112.221 -176.772 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.585 ' HG2' ' HB2' ' A' ' 57' ' ' TYR . 30.3 Cg_endo -63.97 122.23 10.19 Favored 'Trans proline' 0 C--N 1.345 0.371 0 C-N-CA 123.515 2.81 . . . . 0.0 112.468 177.788 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 46.7 t -63.77 -12.86 39.01 Favored 'General case' 0 CA--C 1.534 0.36 0 CA-C-N 116.113 -0.494 . . . . 0.0 112.262 -175.69 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -88.72 -21.97 23.59 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 122.22 -0.3 . . . . 0.0 111.522 179.022 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . 0.585 ' HB2' ' HG2' ' A' ' 54' ' ' PRO . 83.9 m-85 -102.38 -16.65 16.16 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.812 0.339 . . . . 0.0 111.046 -177.496 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.807 HG12 HD13 ' A' ' 25' ' ' ILE . 35.4 m -116.27 151.11 18.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-O 120.936 0.398 . . . . 0.0 110.548 177.785 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.66 ' HG2' ' HB2' ' A' ' 12' ' ' LYS . 5.8 mm-40 -125.47 167.13 15.43 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.716 -0.675 . . . . 0.0 109.619 -177.606 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . 0.468 ' HA ' ' CG1' ' A' ' 9' ' ' VAL . 16.0 mtm180 -92.25 -120.1 0.08 Allowed 'General case' 0 C--N 1.319 -0.735 0 N-CA-C 109.682 -0.488 . . . . 0.0 109.682 173.635 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.871 ' HA ' ' HE2' ' A' ' 61' ' ' LYS . 8.1 mmpt? -90.96 136.98 32.71 Favored 'General case' 0 C--N 1.315 -0.916 0 CA-C-O 120.723 0.296 . . . . 0.0 110.296 173.605 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 9.3 t30 -76.52 137.73 39.79 Favored 'General case' 0 C--N 1.327 -0.413 0 N-CA-C 109.768 -0.456 . . . . 0.0 109.768 178.022 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 8.5 t . . . . . 0 C--O 1.249 1.075 0 CA-C-O 118.621 -0.704 . . . . 0.0 109.469 179.344 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.605 0 N-CA-C 111.893 -0.483 . . . . 0.0 111.893 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 33.1 t -103.24 104.7 14.85 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 120.88 0.371 . . . . 0.0 110.02 -179.093 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 66.8 mtm -128.07 93.95 3.8 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.192 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -87.92 -70.87 0.6 Allowed 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.643 179.122 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 -160.05 98.72 1.33 Allowed 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 108.847 -0.798 . . . . 0.0 108.847 178.417 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.418 ' HB2' ' HD1' ' A' ' 32' ' ' TRP . 29.1 mm-40 -82.68 173.86 11.53 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.057 -0.519 . . . . 0.0 111.672 -171.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 60.9 t -74.94 104.33 3.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.15 179.583 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 54.6 t -99.82 134.66 38.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-O 121.705 0.764 . . . . 0.0 111.409 -178.659 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.568 ' HB ' ' O ' ' A' ' 59' ' ' GLU . 17.3 m -111.54 177.95 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.316 -0.869 0 CA-C-N 114.565 -1.198 . . . . 0.0 109.418 178.796 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.441 ' HA ' ' HA ' ' A' ' 30' ' ' ARG . 9.6 p -140.95 138.96 34.38 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.791 0 CA-C-O 121.1 0.476 . . . . 0.0 110.382 179.846 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.467 ' HA ' ' HA ' ' A' ' 58' ' ' VAL . . . -87.67 142.81 27.55 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.787 -178.551 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.491 ' O ' ' HG3' ' A' ' 27' ' ' LYS . 0.1 OUTLIER -89.08 -40.47 12.92 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.647 -179.481 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 66.4 m-85 -129.73 152.97 48.65 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.053 0.454 . . . . 0.0 111.655 -179.507 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.424 ' OD1' ' HG3' ' A' ' 26' ' ' LYS . 12.6 m-20 -59.65 133.33 56.0 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.26 -0.882 . . . . 0.0 111.781 179.237 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . 0.605 ' HB3' ' CG1' ' A' ' 25' ' ' ILE . 42.7 t80 -135.76 111.77 9.58 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 109.655 -0.498 . . . . 0.0 109.655 172.106 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 57.3 t -82.02 133.01 30.11 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.378 -179.202 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.55 ' HB1' ' HB2' ' A' ' 22' ' ' GLU . . . -84.18 130.6 34.83 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 109.172 -0.677 . . . . 0.0 109.172 178.227 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.49 ' HB2' HE21 ' A' ' 18' ' ' GLN . 9.7 mt-30 -65.93 -44.98 83.51 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-O 120.883 0.373 . . . . 0.0 110.881 -177.896 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . 0.672 ' HB2' ' HG2' ' A' ' 21' ' ' GLN . 27.3 mm-40 -140.57 173.54 11.4 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 177.809 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -71.52 -3.17 19.77 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.784 0.326 . . . . 0.0 111.064 -179.808 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.672 ' HG2' ' HB2' ' A' ' 19' ' ' GLN . 13.0 pt20 -71.94 -24.84 61.68 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 121.484 0.659 . . . . 0.0 109.639 171.237 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.55 ' HB2' ' HB1' ' A' ' 17' ' ' ALA . 3.4 mm-40 -98.4 177.28 5.4 Favored 'General case' 0 N--CA 1.448 -0.565 0 CA-C-N 114.947 -1.024 . . . . 0.0 108.839 -178.051 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.811 ' HG ' HG23 ' A' ' 43' ' ' VAL . 1.3 tm? -108.55 128.54 54.91 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 108.501 -0.926 . . . . 0.0 108.501 175.671 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 3.5 p-10 -94.55 128.99 41.52 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.197 0.522 . . . . 0.0 110.13 -179.532 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.766 HD13 HG12 ' A' ' 58' ' ' VAL . 1.0 OUTLIER -132.66 171.99 17.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.482 -179.484 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.539 ' HB3' ' HB2' ' A' ' 29' ' ' GLU . 0.0 OUTLIER -140.39 165.56 27.1 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 109.559 -0.534 . . . . 0.0 109.559 -175.606 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.491 ' HG3' ' O ' ' A' ' 12' ' ' LYS . 84.4 tttt -65.49 126.43 28.26 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 109.489 -0.56 . . . . 0.0 109.489 173.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 68.05 27.07 7.1 Favored 'General case' 0 N--CA 1.468 0.442 0 CA-C-O 121.358 0.599 . . . . 0.0 109.921 -179.582 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.539 ' HB2' ' HB3' ' A' ' 26' ' ' LYS . 4.8 tp10 -96.82 131.23 43.76 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 109.08 -0.711 . . . . 0.0 109.08 177.367 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.556 ' O ' HD13 ' A' ' 31' ' ' LEU . 15.4 ptt180 -92.14 130.66 37.81 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 120.976 0.417 . . . . 0.0 110.269 179.594 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.556 HD13 ' O ' ' A' ' 30' ' ' ARG . 1.3 mm? -122.14 165.75 15.63 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 116.011 -0.541 . . . . 0.0 109.705 -177.558 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . 0.418 ' HD1' ' HB2' ' A' ' 6' ' ' GLU . 19.9 m-90 -99.66 121.2 40.88 Favored 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 109.871 -0.418 . . . . 0.0 109.871 178.483 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.628 ' HA ' HG12 ' A' ' 43' ' ' VAL . 44.8 tp -98.47 125.5 43.69 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.175 0.512 . . . . 0.0 111.502 -174.275 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -103.32 -52.69 2.96 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.219 179.498 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . 0.492 ' OD2' ' HD3' ' A' ' 42' ' ' ARG . 26.5 m-20 -131.8 130.35 41.69 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.804 -178.575 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . 0.569 ' HB3' HD21 ' A' ' 33' ' ' LEU . 13.2 p-10 -135.75 22.21 3.34 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.386 0.612 . . . . 0.0 109.829 177.762 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 43.7 t -72.87 -38.19 67.1 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.368 -0.833 . . . . 0.0 111.749 -174.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 37.4 ttpt -159.16 144.61 16.11 Favored 'General case' 0 C--N 1.326 -0.454 0 C-N-CA 121.079 -0.248 . . . . 0.0 111.188 -172.218 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 25.1 m 67.92 -162.07 0.21 Allowed 'General case' 0 C--O 1.234 0.287 0 O-C-N 123.764 0.665 . . . . 0.0 111.382 175.845 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' TRP . . . . . 0.428 ' CB ' ' HB3' ' A' ' 52' ' ' PHE . 11.0 m0 -54.6 141.29 32.17 Favored 'General case' 0 C--O 1.232 0.165 0 CA-C-N 115.901 -0.591 . . . . 0.0 109.89 175.074 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 45.4 m0 -74.69 139.55 43.57 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 121.295 0.569 . . . . 0.0 111.085 -175.003 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.492 ' HD3' ' OD2' ' A' ' 35' ' ' ASP . 33.3 ttt180 -97.86 108.31 20.99 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.308 -0.86 . . . . 0.0 109.93 -175.637 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.811 HG23 ' HG ' ' A' ' 23' ' ' LEU . 5.0 m -132.91 164.43 35.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-O 121.449 0.642 . . . . 0.0 112.441 -174.078 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.556 ' HG2' ' O ' ' A' ' 49' ' ' LYS . 0.3 OUTLIER -131.8 127.53 36.85 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 107.821 -1.177 . . . . 0.0 107.821 175.206 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . 0.664 ' HB3' HD11 ' A' ' 23' ' ' LEU . 39.7 p-10 -103.39 -175.62 2.85 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 121.082 0.468 . . . . 0.0 111.88 -170.326 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 5.4 p -71.41 -15.08 62.34 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-N 115.831 -0.622 . . . . 0.0 111.882 -178.167 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' MET . . . . . 0.442 ' HG3' ' HG2' ' A' ' 49' ' ' LYS . 16.9 tpt -78.56 -1.85 35.98 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.196 0.522 . . . . 0.0 109.803 176.525 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 25.6 m-80 70.08 21.17 6.17 Favored 'General case' 0 N--CA 1.463 0.18 0 CA-C-N 115.272 -0.876 . . . . 0.0 110.726 176.218 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.556 ' O ' ' HG2' ' A' ' 44' ' ' ARG . 75.3 mmtt -102.1 167.36 10.07 Favored 'General case' 0 N--CA 1.449 -0.504 0 N-CA-C 109.569 -0.53 . . . . 0.0 109.569 177.631 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . 0.446 ' HA ' HD23 ' A' ' 23' ' ' LEU . 2.7 m -139.73 149.41 43.59 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 120.869 0.366 . . . . 0.0 110.74 178.051 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 175.68 -160.47 28.79 Favored Glycine 0 N--CA 1.446 -0.643 0 CA-C-N 115.636 -0.711 . . . . 0.0 111.342 -178.192 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.428 ' HB3' ' CB ' ' A' ' 40' ' ' TRP . 95.9 m-85 -114.75 142.26 46.76 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.797 0.332 . . . . 0.0 110.146 -179.413 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.537 HG13 ' HB3' ' A' ' 23' ' ' LEU . 15.7 m -125.71 150.24 67.85 Favored Pre-proline 0 C--N 1.321 -0.666 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.726 -178.739 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.554 ' O ' HG22 ' A' ' 58' ' ' VAL . 54.5 Cg_endo -70.11 128.28 15.49 Favored 'Trans proline' 0 CA--C 1.53 0.288 0 C-N-CA 123.098 2.532 . . . . 0.0 112.598 177.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 12.6 p -68.07 -10.98 58.11 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.919 -0.582 . . . . 0.0 112.034 -176.687 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 95.1 m-20 -84.97 -19.03 32.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.734 0.302 . . . . 0.0 111.308 179.396 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . 0.447 ' HB2' ' HG2' ' A' ' 54' ' ' PRO . 50.8 m-85 -108.37 -27.67 9.84 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.527 -0.306 . . . . 0.0 110.61 -177.916 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.766 HG12 HD13 ' A' ' 25' ' ' ILE . 28.9 m -109.45 149.27 12.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 N-CA-C 109.794 -0.447 . . . . 0.0 109.794 176.753 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.568 ' O ' ' HB ' ' A' ' 9' ' ' VAL . 38.2 mt-10 -137.89 166.45 24.0 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 121.015 0.436 . . . . 0.0 111.025 -178.769 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . 0.435 HH11 ' HD2' ' A' ' 60' ' ' ARG . 14.1 mtp180 -75.03 -151.59 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.46 -0.791 . . . . 0.0 110.242 178.889 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.41 ' HE2' ' HB3' ' A' ' 61' ' ' LYS . 44.5 mtpt -72.86 83.88 1.22 Allowed 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.014 0.435 . . . . 0.0 110.756 -178.618 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 45.7 t30 -171.13 116.5 0.44 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.273 -0.876 . . . . 0.0 109.44 176.174 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 15.0 m . . . . . 0 C--O 1.248 1.022 0 CA-C-O 118.764 -0.636 . . . . 0.0 111.037 -176.223 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.726 0 N-CA-C 112.309 -0.316 . . . . 0.0 112.309 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.7 p -129.84 99.5 5.14 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.069 0.461 . . . . 0.0 109.967 176.002 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 1.5 mpt? -79.05 81.98 5.27 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.872 -176.725 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -158.28 140.99 14.6 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.626 -0.715 . . . . 0.0 110.003 178.287 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -120.93 144.68 48.32 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.775 0.321 . . . . 0.0 110.442 177.347 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.44 ' HB2' ' HD1' ' A' ' 32' ' ' TRP . 21.5 mt-10 -83.9 -171.59 3.68 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.624 -0.717 . . . . 0.0 110.263 177.705 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 12.4 m -76.23 110.54 11.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-O 121.453 0.644 . . . . 0.0 110.718 179.845 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 81.1 t -106.57 136.88 39.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-O 121.778 0.799 . . . . 0.0 112.109 -174.389 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.521 ' HB ' ' O ' ' A' ' 59' ' ' GLU . 5.8 m -116.39 178.04 1.97 Allowed 'Isoleucine or valine' 0 C--N 1.313 -1.017 0 CA-C-N 114.199 -1.364 . . . . 0.0 109.312 177.199 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 14.8 p -136.48 147.74 27.51 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.735 0 C-N-CA 120.72 -0.392 . . . . 0.0 110.312 -179.645 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.493 ' HB1' HD12 ' A' ' 25' ' ' ILE . . . -83.92 144.35 29.25 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 121.081 0.467 . . . . 0.0 111.919 -178.13 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 2.7 ttmm -88.85 -46.84 8.63 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.513 -0.767 . . . . 0.0 110.537 178.493 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.459 ' HB2' ' HD2' ' A' ' 57' ' ' TYR . 39.3 m-85 -138.27 157.08 46.98 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 109.484 -0.561 . . . . 0.0 109.484 174.76 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.663 ' HB3' ' HD2' ' A' ' 26' ' ' LYS . 0.4 OUTLIER -69.02 138.53 54.56 Favored 'General case' 0 N--CA 1.446 -0.648 0 CA-C-O 121.85 0.834 . . . . 0.0 112.725 -177.368 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 9.7 t80 -137.11 111.31 8.42 Favored 'General case' 0 C--N 1.316 -0.863 0 CA-C-N 114.293 -1.321 . . . . 0.0 109.343 174.368 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 58.5 t -94.18 118.31 39.85 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.704 0 CA-C-O 121.096 0.474 . . . . 0.0 110.648 179.114 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -85.25 116.84 23.83 Favored 'General case' 0 N--CA 1.443 -0.781 0 N-CA-C 108.77 -0.826 . . . . 0.0 108.77 175.28 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 6.3 mt-30 -62.71 -30.93 71.78 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.444 0.64 . . . . 0.0 110.227 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . 0.473 ' HB3' ' HG2' ' A' ' 21' ' ' GLN . 7.3 mm100 -102.09 120.31 40.23 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.151 -0.931 . . . . 0.0 109.462 179.772 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 34.7 mt-10 -71.4 -7.58 48.21 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-O 120.742 0.306 . . . . 0.0 111.502 -177.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.473 ' HG2' ' HB3' ' A' ' 19' ' ' GLN . 4.1 pt20 -66.56 -20.27 65.98 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.188 0.518 . . . . 0.0 109.816 171.28 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 72.8 mm-40 -104.24 -177.13 3.28 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.183 -0.917 . . . . 0.0 109.172 175.249 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.733 HD21 ' H ' ' A' ' 45' ' ' ASN . 0.6 OUTLIER -104.17 127.39 51.78 Favored 'General case' 0 N--CA 1.444 -0.758 0 C-N-CA 120.027 -0.669 . . . . 0.0 110.407 -174.892 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -99.59 130.16 45.8 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.78 -0.646 . . . . 0.0 109.759 175.43 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.751 HD13 HG12 ' A' ' 58' ' ' VAL . 1.3 pt -127.37 159.71 37.4 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-O 121.048 0.452 . . . . 0.0 110.625 -177.747 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.663 ' HD2' ' HB3' ' A' ' 14' ' ' ASP . 25.3 tptp -126.22 152.64 45.79 Favored 'General case' 0 C--N 1.316 -0.858 0 N-CA-C 109.129 -0.693 . . . . 0.0 109.129 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.47 ' H ' ' HB3' ' A' ' 14' ' ' ASP . 78.7 tttt -56.16 127.43 30.66 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 110.274 -0.269 . . . . 0.0 110.274 177.918 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 69.57 23.29 5.97 Favored 'General case' 0 CA--C 1.535 0.375 0 O-C-N 123.954 0.784 . . . . 0.0 110.934 178.664 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 11.2 tp10 -99.23 147.1 25.49 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 109.252 -0.647 . . . . 0.0 109.252 176.853 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.59 ' O ' HD13 ' A' ' 31' ' ' LEU . 2.0 ptm180 -95.0 135.82 36.06 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-O 120.693 0.282 . . . . 0.0 110.281 -177.882 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.59 HD13 ' O ' ' A' ' 30' ' ' ARG . 1.6 mm? -123.97 167.97 13.44 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 109.337 -0.616 . . . . 0.0 109.337 179.229 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . 0.567 ' HB2' ' HB3' ' A' ' 44' ' ' ARG . 28.7 m-90 -105.4 125.01 50.5 Favored 'General case' 0 C--N 1.317 -0.841 0 N-CA-C 109.374 -0.602 . . . . 0.0 109.374 174.612 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.584 ' HA ' HG12 ' A' ' 43' ' ' VAL . 41.1 tp -97.18 116.39 29.29 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 121.02 0.438 . . . . 0.0 111.33 -173.554 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -102.34 -33.64 9.5 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.064 -178.287 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . 0.558 ' HB3' ' HB3' ' A' ' 42' ' ' ARG . 31.1 t70 -146.44 132.53 19.3 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.409 -0.36 . . . . 0.0 111.258 -174.282 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 8.2 p-10 -149.81 85.78 1.43 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 122.094 0.95 . . . . 0.0 109.617 177.479 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . 0.453 ' O ' ' HG3' ' A' ' 38' ' ' LYS . 29.2 p -77.84 -49.48 14.19 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.832 -179.653 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.453 ' HG3' ' O ' ' A' ' 37' ' ' SER . 53.2 mtpt -160.43 -84.35 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.217 0.532 . . . . 0.0 110.134 179.682 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 19.6 m -107.38 142.26 37.48 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.382 -0.827 . . . . 0.0 109.565 179.481 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' TRP . . . . . 0.453 ' HA ' ' O ' ' A' ' 53' ' ' VAL . 76.5 m95 66.18 100.52 0.04 OUTLIER 'General case' 0 N--CA 1.468 0.436 0 CA-C-O 121.638 0.732 . . . . 0.0 110.876 -176.261 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 48.3 m0 -98.2 155.9 16.95 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.156 -176.375 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.558 ' HB3' ' HB3' ' A' ' 35' ' ' ASP . 33.5 ttt180 -103.16 112.92 26.01 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 109.701 -0.481 . . . . 0.0 109.701 179.579 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.628 HG23 ' HG ' ' A' ' 23' ' ' LEU . 10.9 m -128.27 164.93 28.79 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-O 121.61 0.719 . . . . 0.0 112.231 -173.627 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.567 ' HB3' ' HB2' ' A' ' 32' ' ' TRP . 23.5 ttm180 -114.79 128.78 56.5 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 114.692 -1.14 . . . . 0.0 108.807 174.799 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . 0.733 ' H ' HD21 ' A' ' 23' ' ' LEU . 50.6 t30 -90.89 169.66 10.73 Favored 'General case' 0 C--N 1.317 -0.845 0 N-CA-C 109.384 -0.598 . . . . 0.0 109.384 176.261 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 4.7 p -68.8 -7.71 36.69 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.61 -176.448 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 44.6 tpp -91.75 14.53 15.08 Favored 'General case' 0 CA--C 1.536 0.413 0 CA-C-O 121.197 0.522 . . . . 0.0 109.871 176.902 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 47.3 m-80 69.47 14.42 8.37 Favored 'General case' 0 N--CA 1.47 0.563 0 CA-C-N 115.42 -0.809 . . . . 0.0 112.674 169.676 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 47.4 mtmt -97.33 164.32 12.52 Favored 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 109.736 -0.468 . . . . 0.0 109.736 176.049 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . 0.401 ' HA ' HD23 ' A' ' 23' ' ' LEU . 4.1 m -137.14 153.58 50.46 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 110.182 -0.303 . . . . 0.0 110.182 178.277 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 173.7 -172.44 45.25 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 121.224 -0.512 . . . . 0.0 112.044 -179.121 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 65.7 m-85 -100.02 139.73 35.26 Favored 'General case' 0 CA--C 1.516 -0.349 0 CA-C-O 121.191 0.52 . . . . 0.0 110.305 179.421 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.477 HG13 ' HB3' ' A' ' 23' ' ' LEU . 22.6 m -125.41 148.72 62.2 Favored Pre-proline 0 C--N 1.318 -0.801 0 CA-C-N 115.392 -0.822 . . . . 0.0 111.192 179.579 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.417 ' O ' HG22 ' A' ' 58' ' ' VAL . 30.1 Cg_endo -62.65 118.76 5.65 Favored 'Trans proline' 0 N--CA 1.464 -0.257 0 C-N-CA 123.066 2.511 . . . . 0.0 111.968 178.509 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . 0.416 ' HA ' HG22 ' A' ' 58' ' ' VAL . 1.9 p -65.65 -11.13 42.1 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.641 -178.614 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 14.6 m120 -76.12 -23.2 54.88 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.87 176.661 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . 0.459 ' HD2' ' HB2' ' A' ' 13' ' ' PHE . 90.1 m-85 -115.08 -10.23 12.23 Favored 'General case' 0 N--CA 1.452 -0.358 0 CA-C-N 116.356 -0.383 . . . . 0.0 111.776 -172.917 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.751 HG12 HD13 ' A' ' 25' ' ' ILE . 32.8 m -115.14 154.98 16.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-O 120.703 0.287 . . . . 0.0 110.801 -179.744 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.521 ' O ' ' HB ' ' A' ' 9' ' ' VAL . 8.6 mm-40 -132.64 165.42 24.48 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.929 -175.137 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . 0.512 ' HA ' HG12 ' A' ' 9' ' ' VAL . 87.6 mtt180 -83.43 -139.04 0.05 Allowed 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.912 -0.586 . . . . 0.0 109.423 172.189 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 57.1 mttm -74.1 79.14 1.74 Allowed 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 109.568 -0.53 . . . . 0.0 109.568 172.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 22.8 t-20 -86.4 129.17 34.95 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.76 -0.655 . . . . 0.0 110.656 -176.267 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 40.4 m . . . . . 0 C--O 1.246 0.906 0 CA-C-O 118.577 -0.725 . . . . 0.0 109.896 178.346 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.721 0 N-CA-C 112.298 -0.321 . . . . 0.0 112.298 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.4 m -67.8 153.18 44.28 Favored 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 122.383 0.273 . . . . 0.0 110.701 179.822 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 69.3 mtm 56.41 68.38 0.87 Allowed 'General case' 0 N--CA 1.467 0.386 0 CA-C-O 121.421 0.629 . . . . 0.0 110.486 -176.723 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -126.12 166.97 16.04 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.603 -0.726 . . . . 0.0 111.0 -176.566 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 -112.65 39.28 2.53 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 121.903 0.859 . . . . 0.0 109.692 -177.732 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 12.9 mm-40 -81.33 109.08 15.5 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.297 -0.865 . . . . 0.0 110.919 -176.715 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 46.0 t -80.01 92.58 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-O 121.454 0.645 . . . . 0.0 109.771 175.82 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.593 ' O ' ' HD2' ' A' ' 61' ' ' LYS . 40.8 t -102.1 134.59 42.31 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-N 115.439 -0.801 . . . . 0.0 112.152 -173.911 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.653 ' HB ' ' O ' ' A' ' 59' ' ' GLU . 17.0 m -105.02 -174.93 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.706 0 CA-C-N 114.856 -1.066 . . . . 0.0 109.043 176.553 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 14.4 p -139.97 148.77 22.49 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 O-C-N 121.874 -0.516 . . . . 0.0 110.423 -178.918 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.572 ' HA ' ' HA ' ' A' ' 58' ' ' VAL . . . -94.56 145.69 24.64 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 121.257 0.551 . . . . 0.0 111.618 -178.199 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 4.6 tppp? -89.9 -48.99 6.87 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.527 -0.76 . . . . 0.0 110.461 -179.627 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 49.7 m-85 -129.48 155.64 45.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.112 0.482 . . . . 0.0 111.393 -176.746 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.461 ' OD1' ' HG3' ' A' ' 26' ' ' LYS . 11.5 m-20 -61.64 133.57 55.77 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 114.924 -1.035 . . . . 0.0 111.268 178.531 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . 0.542 ' HB3' HG13 ' A' ' 25' ' ' ILE . 24.9 t80 -135.93 112.7 10.18 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.396 0.617 . . . . 0.0 110.482 175.074 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 48.0 t -84.86 129.14 38.21 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.155 178.888 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.56 ' HB1' ' HB2' ' A' ' 22' ' ' GLU . . . -91.3 177.91 6.11 Favored 'General case' 0 N--CA 1.449 -0.5 0 CA-C-N 116.196 -0.456 . . . . 0.0 109.839 -178.545 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 30.9 mt-30 -90.35 -58.52 2.47 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.08 0.467 . . . . 0.0 110.85 179.204 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 3.5 mm-40 -143.52 -174.75 4.32 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.192 -179.335 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 31.7 tt0 -65.12 -13.54 58.34 Favored 'General case' 0 CA--C 1.535 0.379 0 CA-C-O 121.425 0.631 . . . . 0.0 110.626 178.328 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.485 ' HG3' ' HG2' ' A' ' 22' ' ' GLU . 13.8 pt20 -68.19 -21.3 64.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.467 0.651 . . . . 0.0 110.072 174.173 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.56 ' HB2' ' HB1' ' A' ' 17' ' ' ALA . 6.4 mm-40 -108.94 -179.2 3.79 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.269 -0.878 . . . . 0.0 108.963 -179.23 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.788 HD11 ' HB3' ' A' ' 45' ' ' ASN . 0.9 OUTLIER -113.6 129.3 56.59 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 109.272 -0.64 . . . . 0.0 109.272 175.134 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 8.1 p-10 -101.21 130.92 47.41 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 120.974 0.416 . . . . 0.0 110.407 177.881 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.692 HD13 HG12 ' A' ' 58' ' ' VAL . 1.0 OUTLIER -131.71 165.69 31.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.217 -178.673 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.461 ' HG3' ' OD1' ' A' ' 14' ' ' ASP . 7.2 tptm -135.69 164.85 26.94 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 110.101 -0.333 . . . . 0.0 110.101 -177.703 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 79.7 tttt -60.67 125.99 25.77 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.636 0.255 . . . . 0.0 110.462 177.723 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 66.73 25.91 9.65 Favored 'General case' 0 N--CA 1.469 0.487 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.721 178.408 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 10.6 tp10 -94.31 145.96 24.37 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 109.076 -0.713 . . . . 0.0 109.076 176.18 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.657 ' O ' HD13 ' A' ' 31' ' ' LEU . 9.8 ptp180 -94.69 139.33 31.38 Favored 'General case' 0 C--N 1.32 -0.71 0 N-CA-C 109.376 -0.601 . . . . 0.0 109.376 -179.867 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.657 HD13 ' O ' ' A' ' 30' ' ' ARG . 2.0 mm? -127.85 163.82 23.57 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.884 0.374 . . . . 0.0 110.277 178.485 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . 0.598 ' HB2' ' HB3' ' A' ' 44' ' ' ARG . 6.8 m-90 -98.09 117.71 33.07 Favored 'General case' 0 C--N 1.317 -0.838 0 N-CA-C 109.341 -0.614 . . . . 0.0 109.341 176.297 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.518 ' HA ' HG12 ' A' ' 43' ' ' VAL . 25.5 tp -96.83 113.47 25.02 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.07 0.462 . . . . 0.0 111.049 -177.119 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -98.75 -58.58 1.92 Allowed 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.271 -179.397 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . 0.629 ' HB2' ' HB3' ' A' ' 42' ' ' ARG . 3.0 m-20 -108.09 137.98 45.14 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.611 -177.483 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 67.8 t0 -149.99 64.19 0.98 Allowed 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 108.485 -0.931 . . . . 0.0 108.485 177.321 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 17.4 p -114.54 -48.31 2.87 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.628 -0.715 . . . . 0.0 111.501 -179.035 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 59.9 tttp -174.24 151.94 1.73 Allowed 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 116.455 -0.339 . . . . 0.0 110.309 179.862 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 63.5 m 66.68 88.69 0.11 Allowed 'General case' 0 C--O 1.234 0.259 0 O-C-N 123.849 0.718 . . . . 0.0 111.624 176.648 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 4.6 m-90 60.79 -172.47 0.13 Allowed 'General case' 0 C--O 1.234 0.274 0 CA-C-N 115.022 -0.99 . . . . 0.0 110.921 179.273 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . 0.563 ' CE3' HG23 ' A' ' 58' ' ' VAL . 9.5 m0 -121.43 130.08 53.37 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.609 174.539 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.629 ' HB3' ' HB2' ' A' ' 35' ' ' ASP . 39.5 ttt180 -87.75 104.64 16.75 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.569 -0.742 . . . . 0.0 109.144 179.467 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.582 HG23 ' HG ' ' A' ' 23' ' ' LEU . 7.7 m -129.23 157.36 42.05 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 CA-C-N 115.788 -0.642 . . . . 0.0 112.288 -173.138 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.598 ' HB3' ' HB2' ' A' ' 32' ' ' TRP . 44.0 ttt180 -111.58 132.08 54.8 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 114.786 -1.097 . . . . 0.0 108.862 172.78 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . 0.788 ' HB3' HD11 ' A' ' 23' ' ' LEU . 40.0 p-10 -98.78 -174.57 2.82 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 120.969 0.414 . . . . 0.0 111.69 -175.83 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 21.7 m -65.84 -19.73 65.99 Favored 'General case' 0 CA--C 1.531 0.217 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.526 -179.261 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' MET . . . . . 0.436 ' HA ' ' CE ' ' A' ' 47' ' ' MET . 3.5 tpt -84.12 4.97 27.97 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-O 121.23 0.538 . . . . 0.0 109.801 176.363 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . 0.578 ' HA ' ' HE ' ' A' ' 44' ' ' ARG . 23.2 m-80 65.57 16.95 10.75 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-N 115.331 -0.849 . . . . 0.0 111.118 175.29 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.55 ' O ' ' HA ' ' A' ' 44' ' ' ARG . 46.2 mmtm -93.51 168.92 10.73 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 109.093 -0.706 . . . . 0.0 109.093 177.546 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . 0.418 ' CA ' HD23 ' A' ' 23' ' ' LEU . 7.2 m -139.39 150.8 45.72 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 121.101 0.477 . . . . 0.0 111.014 -178.642 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 179.61 -166.52 35.85 Favored Glycine 0 N--CA 1.444 -0.767 0 CA-C-N 115.103 -0.953 . . . . 0.0 111.101 -178.302 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 91.9 m-85 -110.3 127.51 55.06 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 120.982 0.42 . . . . 0.0 111.09 -179.387 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.523 HG13 ' HB3' ' A' ' 23' ' ' LEU . 28.6 m -118.25 160.19 40.4 Favored Pre-proline 0 C--N 1.324 -0.502 0 CA-C-N 115.546 -0.752 . . . . 0.0 111.231 179.646 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.664 ' HG2' ' HB2' ' A' ' 57' ' ' TYR . 41.4 Cg_endo -68.26 126.01 13.73 Favored 'Trans proline' 0 C--N 1.344 0.305 0 C-N-CA 122.85 2.367 . . . . 0.0 112.129 176.499 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 20.2 m -66.74 -9.29 35.05 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.882 -0.599 . . . . 0.0 112.047 -177.051 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 94.1 m-20 -90.0 -25.63 20.76 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.832 0.349 . . . . 0.0 111.34 178.726 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . 0.664 ' HB2' ' HG2' ' A' ' 54' ' ' PRO . 37.1 m-85 -94.59 -22.4 18.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.563 -0.289 . . . . 0.0 110.742 -177.539 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.692 HG12 HD13 ' A' ' 25' ' ' ILE . 33.4 m -116.73 148.23 19.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 N-CA-C 109.241 -0.652 . . . . 0.0 109.241 173.569 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.653 ' O ' ' HB ' ' A' ' 9' ' ' VAL . 49.2 mt-10 -137.13 166.57 23.4 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.119 0.485 . . . . 0.0 111.76 -175.673 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -78.4 -179.73 6.5 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.591 -0.731 . . . . 0.0 111.559 -179.697 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.593 ' HD2' ' O ' ' A' ' 8' ' ' VAL . 0.2 OUTLIER -100.63 112.97 25.44 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.458 -0.792 . . . . 0.0 108.932 172.532 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . 0.47 ' HB2' ' O ' ' A' ' 61' ' ' LYS . 12.0 m120 72.77 158.76 0.21 Allowed 'General case' 0 N--CA 1.471 0.582 0 O-C-N 123.61 0.569 . . . . 0.0 111.383 -175.397 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 5.3 p . . . . . 0 C--O 1.248 1.002 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.714 179.609 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.677 0 N-CA-C 112.154 -0.378 . . . . 0.0 112.154 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 30.1 p -84.96 134.11 34.25 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 110.143 -0.317 . . . . 0.0 110.143 177.332 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 2.1 mpt? -82.81 -66.3 0.91 Allowed 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.638 -0.256 . . . . 0.0 110.5 -178.914 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . 58.41 86.3 0.08 Allowed 'General case' 0 N--CA 1.465 0.314 0 O-C-N 123.753 0.658 . . . . 0.0 111.569 -179.689 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -100.28 101.19 12.13 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.175 178.596 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 63.8 mt-10 -73.64 143.3 46.35 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.919 -178.163 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 27.6 m -70.73 136.62 25.57 Favored 'Isoleucine or valine' 0 C--O 1.235 0.339 0 CA-C-N 115.892 -0.595 . . . . 0.0 111.676 -176.81 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 55.7 t -110.72 140.97 27.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-N 115.697 -0.683 . . . . 0.0 111.218 -178.286 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.449 HG23 ' HB2' ' A' ' 31' ' ' LEU . 7.4 m -116.31 -177.52 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.317 -0.835 0 CA-C-N 115.166 -0.924 . . . . 0.0 109.709 177.904 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 14.5 p -140.56 151.12 20.77 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 CA-C-O 120.843 0.354 . . . . 0.0 110.409 -177.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -92.81 141.62 28.24 Favored 'General case' 0 C--N 1.319 -0.731 0 N-CA-C 112.18 0.437 . . . . 0.0 112.18 -178.58 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.487 ' HB2' ' CG ' ' A' ' 59' ' ' GLU . 33.0 ttmt -79.19 -52.72 7.78 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.015 177.262 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 58.5 m-85 -133.31 163.95 28.18 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.432 -0.804 . . . . 0.0 109.67 177.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.62 ' HB3' ' HD2' ' A' ' 26' ' ' LYS . 0.6 OUTLIER -68.79 141.93 55.05 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.564 0.697 . . . . 0.0 112.265 179.461 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . 0.59 ' HB3' ' CG1' ' A' ' 25' ' ' ILE . 11.9 t80 -137.43 111.36 8.29 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 114.634 -1.166 . . . . 0.0 109.82 176.258 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 43.8 t -86.49 133.79 28.96 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.814 0 CA-C-N 116.052 -0.522 . . . . 0.0 109.803 177.668 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.415 ' HB1' ' HB2' ' A' ' 22' ' ' GLU . . . -92.36 157.97 16.34 Favored 'General case' 0 N--CA 1.443 -0.782 0 N-CA-C 109.405 -0.591 . . . . 0.0 109.405 -175.794 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -63.18 -53.78 47.89 Favored 'General case' 0 C--N 1.316 -0.887 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.501 -178.393 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 48.6 mm-40 -147.44 -176.25 5.16 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.225 177.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.722 ' HG2' ' HD3' ' A' ' 49' ' ' LYS . 2.6 tm-20 -63.74 -16.62 61.6 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 123.163 0.585 . . . . 0.0 111.413 -177.2 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.548 ' HG3' ' HG2' ' A' ' 22' ' ' GLU . 14.4 pt20 -59.19 -30.08 67.94 Favored 'General case' 0 CA--C 1.536 0.416 0 CA-C-N 115.917 -0.583 . . . . 0.0 112.13 175.581 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.548 ' HG2' ' HG3' ' A' ' 21' ' ' GLN . 62.1 mm-40 -110.63 -177.1 3.14 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.535 -0.302 . . . . 0.0 110.432 -176.428 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.841 ' HG ' HG23 ' A' ' 43' ' ' VAL . 0.6 OUTLIER -103.7 128.29 51.07 Favored 'General case' 0 N--CA 1.451 -0.41 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 -177.187 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 7.8 p-10 -101.4 133.61 45.76 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 109.398 -0.593 . . . . 0.0 109.398 176.68 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.749 HD13 HG12 ' A' ' 58' ' ' VAL . 1.1 pt -130.9 158.24 43.22 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.679 0 C-N-CA 120.612 -0.435 . . . . 0.0 110.745 -177.48 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.62 ' HD2' ' HB3' ' A' ' 14' ' ' ASP . 59.5 tptt -125.18 152.75 44.09 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 109.106 -0.701 . . . . 0.0 109.106 -177.267 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.452 ' HG3' ' O ' ' A' ' 12' ' ' LYS . 60.3 tttm -57.29 130.46 46.31 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 110.329 -0.249 . . . . 0.0 110.329 178.422 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 17.3 t30 70.4 17.01 7.03 Favored 'General case' 0 CA--C 1.537 0.464 0 O-C-N 123.858 0.724 . . . . 0.0 110.761 177.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -96.96 149.36 21.98 Favored 'General case' 0 C--N 1.328 -0.365 0 O-C-N 121.609 -0.682 . . . . 0.0 110.228 179.561 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.654 ' O ' HD13 ' A' ' 31' ' ' LEU . 6.4 ptp180 -90.38 143.18 27.0 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.215 -177.038 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.654 HD13 ' O ' ' A' ' 30' ' ' ARG . 2.5 mm? -129.71 166.32 20.07 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 109.869 -0.419 . . . . 0.0 109.869 174.549 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 15.4 m-90 -104.77 121.44 43.63 Favored 'General case' 0 C--N 1.316 -0.864 0 N-CA-C 109.204 -0.665 . . . . 0.0 109.204 174.099 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.552 ' HA ' HG12 ' A' ' 43' ' ' VAL . 35.5 tp -96.62 118.11 32.4 Favored 'General case' 0 C--N 1.316 -0.853 0 CA-C-O 120.962 0.411 . . . . 0.0 110.998 -174.359 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -98.44 -46.91 5.59 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.925 -178.407 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 37.7 t70 -126.24 135.67 51.86 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.922 -177.559 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . 0.491 ' HA ' ' CD1' ' A' ' 41' ' ' TRP . 11.6 t0 -140.78 87.33 2.11 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 121.676 0.75 . . . . 0.0 109.657 -178.168 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 23.5 p -94.15 -47.18 6.77 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 114.842 -1.072 . . . . 0.0 110.303 173.698 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.479 ' HG2' ' H ' ' A' ' 39' ' ' SER . 79.3 tttt -176.46 -126.7 0.01 OUTLIER 'General case' 0 CA--C 1.532 0.27 0 CA-C-N 115.804 -0.634 . . . . 0.0 109.393 179.255 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.479 ' H ' ' HG2' ' A' ' 38' ' ' LYS . 0.5 OUTLIER -67.34 145.93 54.61 Favored 'General case' 0 C--N 1.325 -0.469 0 C-N-CA 122.014 0.126 . . . . 0.0 110.799 178.69 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' TRP . . . . . 0.436 ' HA ' ' O ' ' A' ' 53' ' ' VAL . 98.3 m95 66.31 93.08 0.07 Allowed 'General case' 0 N--CA 1.463 0.212 0 O-C-N 123.757 0.66 . . . . 0.0 111.264 -175.146 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . 0.5 ' CH2' ' HG3' ' A' ' 60' ' ' ARG . 12.7 m0 -94.97 151.51 19.12 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.35 -0.841 . . . . 0.0 110.884 179.737 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 52.8 ttt180 -101.68 108.43 19.96 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 109.082 -0.71 . . . . 0.0 109.082 173.839 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.841 HG23 ' HG ' ' A' ' 23' ' ' LEU . 6.1 m -122.83 163.47 21.49 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.676 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.996 -173.53 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 11.9 ttp180 -119.38 127.52 53.22 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 114.985 -1.007 . . . . 0.0 109.018 176.467 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . 0.752 ' HB3' HD11 ' A' ' 23' ' ' LEU . 37.6 p-10 -98.25 -177.73 3.81 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-O 120.696 0.284 . . . . 0.0 111.093 -177.648 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 2.4 p -71.02 -13.6 62.05 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.715 -178.002 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 16.1 tpt -80.35 0.93 30.91 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 109.577 -0.527 . . . . 0.0 109.577 175.038 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 23.7 m-80 69.87 15.93 7.82 Favored 'General case' 0 N--CA 1.469 0.517 0 CA-C-N 115.452 -0.795 . . . . 0.0 110.67 176.738 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.833 ' HE2' ' HA ' ' A' ' 49' ' ' LYS . 7.8 mmpt? -93.78 168.13 11.2 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.474 -0.784 . . . . 0.0 110.011 179.765 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . 0.497 ' HA ' HD23 ' A' ' 23' ' ' LEU . 3.0 m -141.08 150.72 43.29 Favored 'General case' 0 C--N 1.317 -0.845 0 CA-C-O 120.894 0.378 . . . . 0.0 110.758 179.444 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 177.26 -173.1 45.95 Favored Glycine 0 N--CA 1.446 -0.699 0 CA-C-N 115.824 -0.625 . . . . 0.0 111.678 -178.083 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.479 ' HA ' ' O ' ' A' ' 41' ' ' TRP . 77.1 m-85 -103.45 133.22 48.86 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.043 0.449 . . . . 0.0 110.892 -179.148 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.436 ' O ' ' HA ' ' A' ' 40' ' ' TRP . 27.1 m -121.27 148.35 49.33 Favored Pre-proline 0 C--N 1.324 -0.534 0 CA-C-N 115.491 -0.777 . . . . 0.0 111.391 -179.561 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.564 ' O ' HG22 ' A' ' 58' ' ' VAL . 59.5 Cg_endo -71.74 131.24 18.18 Favored 'Trans proline' 0 CA--C 1.529 0.227 0 C-N-CA 123.477 2.784 . . . . 0.0 113.077 -178.836 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 44.2 t -65.16 -20.37 66.42 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.305 0.574 . . . . 0.0 110.444 179.641 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -65.34 -35.34 80.69 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.43 178.612 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . 0.424 ' HB2' ' HG2' ' A' ' 54' ' ' PRO . 73.0 m-85 -104.07 -18.66 14.46 Favored 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 112.21 0.448 . . . . 0.0 112.21 -172.053 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.749 HG12 HD13 ' A' ' 25' ' ' ILE . 32.9 m -110.34 157.75 10.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 C-N-CA 121.03 -0.268 . . . . 0.0 110.98 -179.324 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.487 ' CG ' ' HB2' ' A' ' 12' ' ' LYS . 5.9 mm-40 -137.06 162.42 33.41 Favored 'General case' 0 C--O 1.233 0.188 0 CA-C-O 121.32 0.581 . . . . 0.0 111.978 -174.137 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . 0.5 ' HG3' ' CH2' ' A' ' 41' ' ' TRP . 35.1 mtp180 -100.09 133.33 44.64 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.491 -0.777 . . . . 0.0 109.107 169.635 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.494 ' O ' ' HD3' ' A' ' 61' ' ' LYS . 0.0 OUTLIER -73.55 96.48 2.44 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.215 0.531 . . . . 0.0 111.242 -179.559 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 6.1 t30 -59.39 -39.34 83.06 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.809 -0.632 . . . . 0.0 109.418 176.663 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 19.4 p . . . . . 0 C--O 1.249 1.031 0 CA-C-N 115.307 -0.861 . . . . 0.0 109.644 172.612 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.57 0 N-CA-C 111.856 -0.498 . . . . 0.0 111.856 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 69.0 m -119.75 79.82 1.49 Allowed 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.141 0.496 . . . . 0.0 110.096 178.567 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 68.6 mtm -146.56 35.79 0.96 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.571 -0.74 . . . . 0.0 109.461 -179.501 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -78.46 143.75 36.4 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.734 -0.667 . . . . 0.0 111.176 -175.331 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -94.27 155.41 17.04 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.755 178.472 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 3.5 mp0 -76.84 162.23 27.8 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.054 -177.141 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 10.0 m -73.69 101.97 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-O 121.736 0.779 . . . . 0.0 111.627 -178.089 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 38.1 t -95.54 134.56 32.56 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.704 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.67 176.425 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.532 ' HB ' ' O ' ' A' ' 59' ' ' GLU . 14.0 m -106.84 177.58 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.798 0 CA-C-N 115.066 -0.97 . . . . 0.0 109.584 177.176 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 11.7 p -136.66 143.9 34.03 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.891 0 N-CA-C 109.348 -0.612 . . . . 0.0 109.348 -178.786 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.496 ' HB3' ' O ' ' A' ' 26' ' ' LYS . . . -83.84 142.7 30.43 Favored 'General case' 0 C--N 1.316 -0.876 0 CA-C-O 120.979 0.418 . . . . 0.0 111.821 -175.694 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.798 ' HB2' ' HG2' ' A' ' 59' ' ' GLU . 38.6 tttp -80.26 -50.29 10.42 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.093 -178.434 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.412 ' HB2' ' HD2' ' A' ' 57' ' ' TYR . 65.9 m-85 -134.86 161.05 36.32 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.809 -0.632 . . . . 0.0 111.014 -178.384 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 -64.29 119.66 10.72 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.303 -0.862 . . . . 0.0 111.865 -179.716 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 26.2 t80 -132.38 109.95 10.21 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.99 -0.55 . . . . 0.0 109.827 171.059 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 52.2 t -96.07 124.13 48.61 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.739 0 N-CA-C 109.622 -0.51 . . . . 0.0 109.622 178.059 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.55 ' HB1' ' HG3' ' A' ' 22' ' ' GLU . . . -82.74 139.47 33.6 Favored 'General case' 0 C--N 1.318 -0.783 0 N-CA-C 109.063 -0.718 . . . . 0.0 109.063 179.884 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 27.9 mt-30 -72.45 -47.05 52.02 Favored 'General case' 0 C--N 1.319 -0.758 0 C-N-CA 120.772 -0.371 . . . . 0.0 110.938 -175.804 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 12.0 mm100 -109.25 163.03 13.74 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.675 -175.378 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.422 ' HB3' ' HE3' ' A' ' 49' ' ' LYS . 0.9 OUTLIER -73.44 -17.55 61.23 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.525 -179.512 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 4.1 pt20 -73.21 -15.38 61.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.04 0.448 . . . . 0.0 111.11 -178.633 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.55 ' HG3' ' HB1' ' A' ' 17' ' ' ALA . 1.6 pt-20 -110.52 173.36 6.37 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.43 -0.804 . . . . 0.0 108.832 176.091 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.621 ' HG ' HG23 ' A' ' 43' ' ' VAL . 0.9 OUTLIER -104.36 128.84 52.26 Favored 'General case' 0 C--N 1.323 -0.555 0 C-N-CA 120.079 -0.648 . . . . 0.0 110.077 -172.017 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 2.6 p-10 -94.32 132.05 39.31 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.065 0.46 . . . . 0.0 109.914 178.207 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.751 HD13 HG12 ' A' ' 58' ' ' VAL . 1.0 OUTLIER -131.9 176.73 8.31 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.776 0 N-CA-C 109.888 -0.412 . . . . 0.0 109.888 179.468 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.496 ' O ' ' HB3' ' A' ' 11' ' ' ALA . 17.8 tptm -145.17 158.9 43.7 Favored 'General case' 0 C--N 1.318 -0.803 0 N-CA-C 108.512 -0.921 . . . . 0.0 108.512 179.668 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 62.5 tttm -62.13 130.92 47.71 Favored 'General case' 0 N--CA 1.45 -0.46 0 C-N-CA 120.398 -0.521 . . . . 0.0 110.081 179.313 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 2.8 t30 68.06 16.64 9.5 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.34 -0.845 . . . . 0.0 110.895 177.885 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.471 ' HB2' ' HB3' ' A' ' 26' ' ' LYS . 10.0 tp10 -92.52 147.06 23.2 Favored 'General case' 0 C--N 1.331 -0.208 0 N-CA-C 110.125 -0.324 . . . . 0.0 110.125 179.192 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.596 ' O ' HD13 ' A' ' 31' ' ' LEU . 8.0 ptt180 -90.93 132.48 35.92 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.477 -177.199 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.596 HD13 ' O ' ' A' ' 30' ' ' ARG . 1.8 mm? -125.47 166.91 15.78 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 109.256 -0.646 . . . . 0.0 109.256 177.082 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 20.5 m-90 -101.5 121.01 41.19 Favored 'General case' 0 C--N 1.319 -0.741 0 N-CA-C 109.776 -0.453 . . . . 0.0 109.776 174.825 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.59 ' HA ' HG12 ' A' ' 43' ' ' VAL . 30.5 tp -97.24 119.93 36.66 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 121.102 0.477 . . . . 0.0 110.994 -176.931 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -102.57 -35.94 8.54 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.873 -178.745 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . 0.489 ' OD2' ' HD3' ' A' ' 42' ' ' ARG . 23.0 m-20 -131.7 128.67 39.44 Favored 'General case' 0 CA--C 1.516 -0.336 0 N-CA-C 112.357 0.503 . . . . 0.0 112.357 -174.505 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 8.7 t0 -135.05 77.91 1.71 Allowed 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 108.437 -0.949 . . . . 0.0 108.437 171.544 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 6.7 p -114.17 -46.8 2.97 Favored 'General case' 0 C--N 1.316 -0.885 0 CA-C-N 115.216 -0.902 . . . . 0.0 111.436 -178.632 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 20.4 ptmt -171.79 171.73 5.11 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.089 -177.729 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 62.1 p 51.21 -123.79 2.16 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 123.576 0.751 . . . . 0.0 112.38 176.413 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 7.0 m0 -88.15 160.66 17.66 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.095 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . 0.593 ' HE3' HG23 ' A' ' 58' ' ' VAL . 16.3 m0 -97.63 132.18 43.52 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 120.875 0.369 . . . . 0.0 111.484 -178.692 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.489 ' HD3' ' OD2' ' A' ' 35' ' ' ASP . 59.1 ttt-85 -85.42 109.7 18.63 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.822 -0.626 . . . . 0.0 109.723 176.406 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.621 HG23 ' HG ' ' A' ' 23' ' ' LEU . 4.7 m -126.54 161.49 32.67 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.792 0 CA-C-N 115.359 -0.837 . . . . 0.0 111.411 -177.287 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.402 ' HG3' ' O ' ' A' ' 49' ' ' LYS . 44.2 ttm180 -122.74 131.68 53.89 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-N 114.978 -1.01 . . . . 0.0 109.317 173.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . 0.59 ' HB2' HD11 ' A' ' 23' ' ' LEU . 54.2 t30 -96.23 174.55 6.84 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 115.998 -0.546 . . . . 0.0 109.554 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 36.2 m -66.65 -7.93 24.01 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.035 0.445 . . . . 0.0 111.207 -179.34 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 14.9 tpt -85.36 5.17 31.92 Favored 'General case' 0 CA--C 1.532 0.255 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.794 179.468 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 32.9 m-80 74.88 -17.06 0.51 Allowed 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 123.354 0.662 . . . . 0.0 111.881 175.718 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.422 ' HE3' ' HB3' ' A' ' 20' ' ' GLU . 75.5 mmtt -69.57 158.66 34.83 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 109.856 -0.424 . . . . 0.0 109.856 176.221 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . 0.493 ' HA ' HD23 ' A' ' 23' ' ' LEU . 4.6 m -142.45 151.97 42.28 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 109.747 -0.464 . . . . 0.0 109.747 -179.386 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . 0.401 ' O ' ' HA ' ' A' ' 42' ' ' ARG . . . 176.55 -163.43 32.55 Favored Glycine 0 N--CA 1.444 -0.802 0 C-N-CA 120.814 -0.708 . . . . 0.0 111.945 -178.633 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 81.0 m-85 -108.56 135.34 49.98 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 120.876 0.369 . . . . 0.0 110.306 -179.109 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.477 HG13 ' HB3' ' A' ' 23' ' ' LEU . 24.0 m -120.82 151.6 54.87 Favored Pre-proline 0 C--N 1.321 -0.646 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.99 179.115 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.513 ' HG2' ' HB2' ' A' ' 57' ' ' TYR . 19.4 Cg_endo -58.99 118.55 5.46 Favored 'Trans proline' 0 N--CA 1.463 -0.292 0 C-N-CA 122.92 2.413 . . . . 0.0 111.796 176.537 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 1.5 p -68.45 -10.91 58.51 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.842 -0.617 . . . . 0.0 112.29 -175.593 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 24.7 p-10 -93.95 -7.6 42.49 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.613 -0.267 . . . . 0.0 111.185 176.748 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . 0.513 ' HB2' ' HG2' ' A' ' 54' ' ' PRO . 51.2 m-85 -111.01 -11.44 14.31 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 120.857 0.36 . . . . 0.0 111.102 177.909 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.751 HG12 HD13 ' A' ' 25' ' ' ILE . 35.0 m -120.51 157.68 23.15 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.692 0 N-CA-C 109.325 -0.62 . . . . 0.0 109.325 175.602 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.798 ' HG2' ' HB2' ' A' ' 12' ' ' LYS . 6.5 mm-40 -131.56 154.56 48.7 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.434 0.635 . . . . 0.0 112.286 -174.318 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . 0.405 HH11 ' HD3' ' A' ' 60' ' ' ARG . 30.5 mtp-105 -96.51 117.76 31.59 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 108.331 -0.989 . . . . 0.0 108.331 169.642 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.453 ' C ' ' HD2' ' A' ' 61' ' ' LYS . 0.0 OUTLIER -71.34 141.42 50.43 Favored 'General case' 0 C--N 1.319 -0.76 0 N-CA-C 108.518 -0.919 . . . . 0.0 108.518 178.282 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 54.5 t30 -66.15 114.48 5.3 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 109.624 -0.51 . . . . 0.0 109.624 -178.079 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 12.2 p . . . . . 0 C--O 1.247 0.963 0 CA-C-O 118.603 -0.713 . . . . 0.0 111.679 -174.015 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.709 0 N-CA-C 111.862 -0.495 . . . . 0.0 111.862 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 35.9 p -84.07 150.31 25.66 Favored 'General case' 0 N--CA 1.448 -0.552 0 N-CA-C 110.14 -0.319 . . . . 0.0 110.14 177.897 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 15.4 tpt -83.03 -71.17 0.51 Allowed 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 109.889 -0.411 . . . . 0.0 109.889 179.026 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -166.12 -64.45 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.781 179.05 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 9.7 mm-40 53.31 37.36 25.14 Favored 'General case' 0 CA--C 1.52 -0.197 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.787 -174.846 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -75.48 150.21 38.27 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 114.815 -1.084 . . . . 0.0 108.985 178.85 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 47.1 t -67.66 99.7 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-O 120.931 0.396 . . . . 0.0 110.961 -177.292 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 83.2 t -89.67 134.27 29.32 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.423 0 CA-C-O 121.765 0.793 . . . . 0.0 110.823 178.337 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.487 ' HB ' ' O ' ' A' ' 59' ' ' GLU . 9.7 m -116.86 177.96 2.07 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.169 0 CA-C-N 114.4 -1.273 . . . . 0.0 109.087 179.524 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 10.4 p -140.44 140.75 33.9 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.886 0 CA-C-O 121.308 0.575 . . . . 0.0 110.658 -178.446 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.494 ' HA ' ' HA ' ' A' ' 58' ' ' VAL . . . -92.07 145.92 24.14 Favored 'General case' 0 C--N 1.314 -0.956 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.075 178.595 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.46 ' O ' ' HG3' ' A' ' 27' ' ' LYS . 52.4 mttp -111.41 -12.87 13.97 Favored 'General case' 0 C--N 1.321 -0.647 0 C-N-CA 120.229 -0.589 . . . . 0.0 111.213 178.765 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 81.0 m-85 -134.28 145.51 49.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.307 0.575 . . . . 0.0 111.606 174.832 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 24.8 m-20 -61.25 130.75 47.75 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.027 -0.988 . . . . 0.0 112.575 -179.026 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . 0.581 ' HB3' ' CG1' ' A' ' 25' ' ' ILE . 54.3 t80 -136.04 111.95 9.54 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.993 -0.548 . . . . 0.0 109.769 168.725 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 46.0 t -94.99 131.11 42.7 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.712 0 N-CA-C 109.856 -0.424 . . . . 0.0 109.856 179.494 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.517 ' HB1' ' HB2' ' A' ' 22' ' ' GLU . . . -87.07 175.64 8.0 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.16 -0.473 . . . . 0.0 109.817 179.239 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 11.5 mt-30 -108.99 -56.94 2.21 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 120.986 0.422 . . . . 0.0 110.284 178.848 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . 0.72 ' HB2' ' HG2' ' A' ' 21' ' ' GLN . 12.1 mm100 -104.16 160.56 14.76 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.736 -0.665 . . . . 0.0 110.215 -179.345 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 50.5 mt-10 -71.59 -4.75 28.76 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-O 120.799 0.333 . . . . 0.0 111.653 179.033 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.72 ' HG2' ' HB2' ' A' ' 19' ' ' GLN . 11.2 pt20 -75.9 -20.9 57.67 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.377 0.608 . . . . 0.0 109.83 174.127 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.517 ' HB2' ' HB1' ' A' ' 17' ' ' ALA . 39.9 mt-10 -92.12 -179.52 5.29 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 114.956 -1.02 . . . . 0.0 109.524 179.21 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.844 ' HG ' HG23 ' A' ' 43' ' ' VAL . 0.8 OUTLIER -114.79 128.12 56.12 Favored 'General case' 0 N--CA 1.446 -0.651 0 N-CA-C 108.515 -0.92 . . . . 0.0 108.515 174.767 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -100.67 132.41 46.08 Favored 'General case' 0 C--N 1.322 -0.602 0 C-N-CA 120.099 -0.64 . . . . 0.0 109.526 178.264 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.713 HD13 HG12 ' A' ' 58' ' ' VAL . 1.1 pt -130.24 176.59 8.27 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.735 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.103 -177.483 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.528 ' HB3' ' HB2' ' A' ' 29' ' ' GLU . 20.9 tptp -145.0 158.69 43.73 Favored 'General case' 0 C--N 1.318 -0.788 0 N-CA-C 109.221 -0.659 . . . . 0.0 109.221 -176.504 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.46 ' HG3' ' O ' ' A' ' 12' ' ' LYS . 84.6 tttt -60.93 121.48 12.48 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 109.692 -0.485 . . . . 0.0 109.692 175.118 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 7.9 t30 70.26 35.07 2.17 Favored 'General case' 0 N--CA 1.471 0.614 0 CA-C-O 121.64 0.733 . . . . 0.0 110.598 -179.534 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.528 ' HB2' ' HB3' ' A' ' 26' ' ' LYS . 9.7 tp10 -109.8 147.89 32.45 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.155 175.563 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.664 ' O ' HD13 ' A' ' 31' ' ' LEU . 2.6 ptp180 -94.61 140.42 29.89 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.51 -176.288 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.664 HD13 ' O ' ' A' ' 30' ' ' ARG . 2.2 mm? -128.5 165.46 20.67 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 176.579 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . 0.454 ' HB2' ' HB3' ' A' ' 44' ' ' ARG . 11.9 m-90 -105.17 116.35 31.81 Favored 'General case' 0 C--N 1.316 -0.869 0 N-CA-C 109.356 -0.609 . . . . 0.0 109.356 177.122 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.576 ' HA ' HG12 ' A' ' 43' ' ' VAL . 33.3 tp -91.58 121.75 33.54 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-O 121.304 0.573 . . . . 0.0 111.718 -172.278 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.569 HD23 ' HD2' ' A' ' 42' ' ' ARG . 1.6 mm? -99.55 -54.97 2.79 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.421 -0.809 . . . . 0.0 110.173 178.023 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 12.9 m-20 -133.23 129.63 37.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.425 -178.216 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . 0.54 ' HB3' HD21 ' A' ' 33' ' ' LEU . 12.4 p-10 -131.7 27.7 4.63 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.072 179.61 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 11.8 m -55.89 -47.32 77.63 Favored 'General case' 0 CA--C 1.535 0.401 0 CA-C-N 115.367 -0.833 . . . . 0.0 112.225 -175.466 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 21.6 mtmm -136.03 -163.68 1.44 Allowed 'General case' 0 CA--C 1.518 -0.259 0 O-C-N 122.323 -0.235 . . . . 0.0 110.7 -178.783 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.404 ' O ' ' HB2' ' A' ' 40' ' ' TRP . 2.6 p -60.28 141.98 55.32 Favored 'General case' 0 N--CA 1.45 -0.461 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.791 177.573 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' TRP . . . . . 0.55 ' HA ' ' O ' ' A' ' 53' ' ' VAL . 77.6 m95 70.45 90.99 0.09 Allowed 'General case' 0 N--CA 1.462 0.16 0 O-C-N 124.047 0.842 . . . . 0.0 110.499 -176.317 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . 0.442 ' O ' ' HA ' ' A' ' 52' ' ' PHE . 51.3 m0 -82.94 151.47 25.9 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.213 -0.903 . . . . 0.0 110.501 -176.067 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.569 ' HD2' HD23 ' A' ' 34' ' ' LEU . 0.6 OUTLIER -96.02 110.81 22.98 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 109.344 -0.613 . . . . 0.0 109.344 177.47 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.844 HG23 ' HG ' ' A' ' 23' ' ' LEU . 4.3 m -127.69 157.32 39.65 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.567 -177.277 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.454 ' HB3' ' HB2' ' A' ' 32' ' ' TRP . 17.1 ttm-85 -110.45 137.23 48.43 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.098 -0.955 . . . . 0.0 109.008 173.085 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . 0.537 ' HB2' HD11 ' A' ' 23' ' ' LEU . 26.7 t-20 -98.1 170.9 8.59 Favored 'General case' 0 C--N 1.317 -0.841 0 N-CA-C 109.399 -0.593 . . . . 0.0 109.399 175.88 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 32.4 t -67.59 -14.56 63.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.159 0.504 . . . . 0.0 110.445 -179.786 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' MET . . . . . 0.469 ' O ' ' HD2' ' A' ' 49' ' ' LYS . 14.1 tpt -75.66 -0.14 19.64 Favored 'General case' 0 CA--C 1.532 0.26 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.641 177.854 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 31.7 m-80 77.09 4.69 3.29 Favored 'General case' 0 N--CA 1.469 0.498 0 C-N-CA 123.53 0.732 . . . . 0.0 112.074 174.832 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.469 ' HD2' ' O ' ' A' ' 47' ' ' MET . 1.4 mptp? -94.3 165.3 12.65 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.205 175.183 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . 0.556 ' HA ' HD23 ' A' ' 23' ' ' LEU . 6.5 m -141.76 153.58 44.67 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.964 -0.562 . . . . 0.0 109.568 -177.023 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 178.77 -166.0 35.45 Favored Glycine 0 N--CA 1.446 -0.672 0 C-N-CA 120.816 -0.707 . . . . 0.0 111.919 -178.521 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.442 ' HA ' ' O ' ' A' ' 41' ' ' TRP . 99.1 m-85 -107.46 139.79 41.42 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 109.78 -0.452 . . . . 0.0 109.78 -179.921 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.55 ' O ' ' HA ' ' A' ' 40' ' ' TRP . 8.9 m -131.65 152.57 80.63 Favored Pre-proline 0 C--N 1.32 -0.713 0 CA-C-N 115.782 -0.644 . . . . 0.0 111.446 -178.148 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.5 ' HG2' ' HB2' ' A' ' 57' ' ' TYR . 28.2 Cg_endo -63.19 127.49 20.29 Favored 'Trans proline' 0 C--O 1.234 0.318 0 C-N-CA 123.001 2.467 . . . . 0.0 112.338 176.867 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 5.7 m -69.41 -10.24 57.11 Favored 'General case' 0 CA--C 1.534 0.364 0 CA-C-N 115.793 -0.64 . . . . 0.0 112.347 -174.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . 0.439 HD22 ' HA ' ' A' ' 56' ' ' ASN . 8.5 m120 -93.87 -5.79 47.21 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.84 0.352 . . . . 0.0 111.515 178.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . 0.5 ' HB2' ' HG2' ' A' ' 54' ' ' PRO . 42.1 m-85 -113.47 -33.36 5.92 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.968 0.413 . . . . 0.0 110.017 -178.327 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.713 HG12 HD13 ' A' ' 25' ' ' ILE . 25.0 m -108.4 143.19 19.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 N-CA-C 108.522 -0.918 . . . . 0.0 108.522 172.001 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.487 ' O ' ' HB ' ' A' ' 9' ' ' VAL . 47.8 mt-10 -142.56 162.21 36.07 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.56 0.695 . . . . 0.0 112.333 -175.32 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 13.9 mtp85 -85.2 175.18 9.11 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 114.768 -1.106 . . . . 0.0 110.592 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 2.9 mptm? -84.33 83.64 7.91 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 109.601 -0.518 . . . . 0.0 109.601 172.294 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 4.4 p-10 -75.87 167.83 21.15 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.725 -0.671 . . . . 0.0 110.456 -178.288 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 14.4 p . . . . . 0 C--O 1.25 1.101 0 CA-C-O 118.585 -0.722 . . . . 0.0 110.01 176.763 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.66 0 N-CA-C 112.106 -0.397 . . . . 0.0 112.106 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 43.0 t -152.25 -59.92 0.15 Allowed 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 110.048 -0.353 . . . . 0.0 110.048 177.172 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 1.9 mpt? 62.84 93.18 0.05 Allowed 'General case' 0 N--CA 1.464 0.258 0 O-C-N 123.726 0.641 . . . . 0.0 110.954 -178.85 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -97.71 156.02 16.74 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.896 178.224 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -79.44 97.44 6.39 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.112 -0.494 . . . . 0.0 109.82 179.028 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 35.4 mt-10 -101.07 120.53 40.34 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 109.345 -0.613 . . . . 0.0 109.345 176.335 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 17.6 m -65.02 124.01 19.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-O 121.655 0.741 . . . . 0.0 112.193 -173.871 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 24.1 t -90.1 136.63 23.34 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.7 0 CA-C-O 121.789 0.805 . . . . 0.0 110.965 177.205 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.755 ' HB ' ' HA ' ' A' ' 60' ' ' ARG . 32.0 m -112.66 179.21 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.311 -1.089 0 CA-C-N 114.572 -1.195 . . . . 0.0 108.421 177.51 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.514 ' O ' ' HB2' ' A' ' 59' ' ' GLU . 8.2 p -136.7 138.93 45.76 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.852 0 O-C-N 121.894 -0.504 . . . . 0.0 110.021 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.561 ' HB3' ' O ' ' A' ' 26' ' ' LYS . . . -78.85 146.07 33.86 Favored 'General case' 0 C--N 1.315 -0.902 0 CA-C-O 121.458 0.647 . . . . 0.0 112.217 -175.64 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.678 ' HB2' ' HG2' ' A' ' 59' ' ' GLU . 80.8 tttt -84.49 -51.76 6.66 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 114.993 -1.003 . . . . 0.0 110.173 -175.879 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 74.2 m-85 -138.48 161.17 37.7 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.096 179.523 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.404 ' OD1' ' HG3' ' A' ' 26' ' ' LYS . 24.9 m-20 -61.18 125.13 22.64 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.706 179.209 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . 0.558 ' HB3' HG13 ' A' ' 25' ' ' ILE . 33.7 t80 -129.5 111.43 12.75 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.018 -0.537 . . . . 0.0 109.923 173.814 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 46.3 t -84.66 131.48 33.93 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.658 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.115 179.051 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.538 ' HB1' ' HB2' ' A' ' 22' ' ' GLU . . . -92.04 175.21 6.95 Favored 'General case' 0 N--CA 1.448 -0.55 0 CA-C-N 116.009 -0.541 . . . . 0.0 109.729 179.87 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 21.8 mt-30 -82.54 -70.29 0.56 Allowed 'General case' 0 C--N 1.314 -0.945 0 C-N-CA 120.209 -0.597 . . . . 0.0 109.671 177.356 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . 0.655 ' HB2' ' HG2' ' A' ' 21' ' ' GLN . 15.7 mm100 -128.05 -177.22 4.05 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.603 -0.726 . . . . 0.0 109.673 -178.109 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.505 ' HB3' ' HD2' ' A' ' 49' ' ' LYS . 8.0 mp0 -70.8 -8.29 51.41 Favored 'General case' 0 C--N 1.329 -0.289 0 O-C-N 123.41 0.444 . . . . 0.0 111.352 -178.882 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.655 ' HG2' ' HB2' ' A' ' 19' ' ' GLN . 3.7 pt20 -73.2 -26.23 61.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.87 -0.605 . . . . 0.0 109.713 173.581 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.538 ' HB2' ' HB1' ' A' ' 17' ' ' ALA . 7.2 mm-40 -96.33 -179.33 4.6 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 107.786 -1.19 . . . . 0.0 107.786 177.578 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.878 ' HG ' HG23 ' A' ' 43' ' ' VAL . 0.6 OUTLIER -113.4 127.58 56.17 Favored 'General case' 0 C--N 1.32 -0.705 0 C-N-CA 119.707 -0.797 . . . . 0.0 109.149 176.012 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -102.95 125.5 49.73 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 109.522 -0.547 . . . . 0.0 109.522 179.292 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.711 HD13 HG12 ' A' ' 58' ' ' VAL . 1.5 pp -127.32 148.99 32.02 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-O 121.231 0.539 . . . . 0.0 110.734 -176.629 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.561 ' O ' ' HB3' ' A' ' 11' ' ' ALA . 0.0 OUTLIER -112.47 159.91 18.29 Favored 'General case' 0 C--N 1.313 -1.0 0 CA-C-O 120.988 0.423 . . . . 0.0 110.964 -178.882 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 5.2 ttpm? -63.41 130.3 43.86 Favored 'General case' 0 C--N 1.312 -1.027 0 N-CA-C 109.446 -0.576 . . . . 0.0 109.446 174.132 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 12.5 t30 70.13 14.57 7.7 Favored 'General case' 0 N--CA 1.47 0.567 0 CA-C-O 121.535 0.683 . . . . 0.0 110.698 179.259 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.522 ' HB2' ' HB3' ' A' ' 26' ' ' LYS . 34.9 tt0 -92.76 137.29 32.49 Favored 'General case' 0 C--N 1.328 -0.363 0 O-C-N 121.897 -0.502 . . . . 0.0 109.694 -177.689 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.478 ' O ' HD13 ' A' ' 31' ' ' LEU . 2.3 ptp85 -87.42 125.05 34.04 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-O 120.845 0.355 . . . . 0.0 110.525 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.546 HD12 ' HA ' ' A' ' 45' ' ' ASN . 1.2 mm? -118.11 165.58 13.6 Favored 'General case' 0 C--N 1.318 -0.766 0 N-CA-C 109.814 -0.439 . . . . 0.0 109.814 179.063 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . 0.443 ' HE3' ' O ' ' A' ' 44' ' ' ARG . 22.0 m-90 -101.62 122.49 43.97 Favored 'General case' 0 C--N 1.317 -0.805 0 N-CA-C 109.807 -0.442 . . . . 0.0 109.807 178.046 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.593 ' HA ' HG12 ' A' ' 43' ' ' VAL . 36.5 tp -96.99 118.67 33.92 Favored 'General case' 0 C--N 1.321 -0.63 0 CA-C-O 120.911 0.386 . . . . 0.0 110.849 -175.231 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -101.15 -52.94 3.14 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.333 -178.643 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . 0.592 ' HB3' ' HB3' ' A' ' 42' ' ' ARG . 28.6 t70 -118.77 133.06 56.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.058 0.456 . . . . 0.0 111.848 -175.372 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 4.3 t0 -139.94 80.59 1.77 Allowed 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 114.856 -1.065 . . . . 0.0 108.222 174.795 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 19.5 p -114.69 -48.55 2.85 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.532 -0.758 . . . . 0.0 111.858 -177.641 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 13.3 mmmm -149.62 92.52 1.93 Allowed 'General case' 0 N--CA 1.466 0.339 0 N-CA-C 112.531 0.567 . . . . 0.0 112.531 -176.373 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 17.9 m 69.57 -73.23 0.09 Allowed 'General case' 0 N--CA 1.468 0.46 0 N-CA-C 113.191 0.811 . . . . 0.0 113.191 168.521 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -77.87 115.63 17.76 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 109.813 -0.44 . . . . 0.0 109.813 -176.16 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 16.5 m0 -86.67 137.91 32.08 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.004 -0.543 . . . . 0.0 112.195 -175.002 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.592 ' HB3' ' HB3' ' A' ' 35' ' ' ASP . 21.4 ttm180 -95.25 110.49 22.47 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.38 -0.827 . . . . 0.0 109.127 175.691 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.878 HG23 ' HG ' ' A' ' 23' ' ' LEU . 8.5 m -128.51 167.4 23.78 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.748 0 CA-C-O 121.408 0.623 . . . . 0.0 111.705 -175.183 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.443 ' O ' ' HE3' ' A' ' 32' ' ' TRP . 49.7 ttp180 -123.94 129.09 50.39 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 114.779 -1.101 . . . . 0.0 108.507 174.143 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . 0.546 ' HA ' HD12 ' A' ' 31' ' ' LEU . 32.4 p30 -91.74 -176.92 4.61 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 121.196 0.522 . . . . 0.0 111.562 -178.24 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 4.8 p -67.54 -15.32 63.6 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.399 -0.818 . . . . 0.0 111.707 -177.431 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 11.2 tpt -91.0 8.93 32.86 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.288 0.566 . . . . 0.0 110.066 178.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 28.8 m-80 62.45 30.97 17.32 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-N 115.462 -0.79 . . . . 0.0 111.243 173.592 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.505 ' HD2' ' HB3' ' A' ' 20' ' ' GLU . 24.2 mmtm -106.17 167.8 9.57 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 109.216 -0.661 . . . . 0.0 109.216 175.702 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . 0.519 ' HA ' HD23 ' A' ' 23' ' ' LEU . 2.8 m -137.96 150.12 46.75 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.085 0.469 . . . . 0.0 111.285 -176.326 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 178.73 -157.45 21.06 Favored Glycine 0 N--CA 1.444 -0.822 0 N-CA-C 110.697 -0.961 . . . . 0.0 110.697 -178.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 96.9 m-85 -122.53 139.26 54.09 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 117.036 0.418 . . . . 0.0 110.499 -179.824 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.542 HG13 ' HB3' ' A' ' 23' ' ' LEU . 30.8 m -126.03 152.91 73.76 Favored Pre-proline 0 C--N 1.326 -0.418 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.995 -178.229 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.562 ' O ' HG22 ' A' ' 58' ' ' VAL . 66.8 Cg_endo -71.88 124.93 10.55 Favored 'Trans proline' 0 CA--C 1.529 0.241 0 C-N-CA 123.323 2.682 . . . . 0.0 112.235 179.3 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 15.2 p -66.22 -11.52 50.47 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 112.496 0.554 . . . . 0.0 112.496 -175.221 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 64.5 t30 -86.31 -22.11 26.92 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.956 0.408 . . . . 0.0 110.685 179.37 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . 0.56 ' HB2' ' HG2' ' A' ' 54' ' ' PRO . 80.1 m-85 -105.09 -9.99 17.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.883 0.373 . . . . 0.0 111.0 -178.316 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.711 HG12 HD13 ' A' ' 25' ' ' ILE . 35.3 m -121.39 156.26 25.27 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.71 0 CA-C-O 120.894 0.378 . . . . 0.0 110.573 177.174 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.678 ' HG2' ' HB2' ' A' ' 12' ' ' LYS . 33.9 mm-40 -128.78 162.34 27.65 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 115.759 -0.655 . . . . 0.0 109.778 178.925 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . 0.755 ' HA ' ' HB ' ' A' ' 9' ' ' VAL . 12.7 ptt180 -106.47 173.18 6.43 Favored 'General case' 0 C--N 1.312 -1.037 0 N-CA-C 108.554 -0.906 . . . . 0.0 108.554 171.827 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.439 ' HB2' ' HE3' ' A' ' 61' ' ' LYS . 19.6 ptmt -58.25 118.63 5.71 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 109.717 -0.475 . . . . 0.0 109.717 179.207 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 8.5 m120 -70.33 106.76 3.48 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.511 0.672 . . . . 0.0 111.124 -175.071 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 57.3 m . . . . . 0 C--O 1.248 0.999 0 CA-C-N 114.936 -1.029 . . . . 0.0 109.145 177.279 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.692 0 N-CA-C 112.095 -0.402 . . . . 0.0 112.095 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 13.8 p 47.8 60.36 3.59 Favored 'General case' 0 C--O 1.235 0.325 0 C-N-CA 123.439 0.696 . . . . 0.0 112.066 179.827 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 27.4 ttt -111.06 -15.89 13.62 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.502 0.668 . . . . 0.0 109.451 177.594 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -96.17 -165.25 1.25 Allowed 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.386 -0.825 . . . . 0.0 109.869 176.158 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -108.71 91.86 3.82 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 121.473 0.654 . . . . 0.0 110.387 176.833 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -71.34 172.5 9.29 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.199 -0.909 . . . . 0.0 110.996 178.653 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 47.6 t -74.42 96.75 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.633 -178.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 87.7 t -87.09 135.37 25.38 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-O 121.34 0.591 . . . . 0.0 110.714 177.337 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.424 HG23 ' HB2' ' A' ' 31' ' ' LEU . 4.9 m -113.4 -175.16 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.313 -1.021 0 CA-C-N 114.839 -1.073 . . . . 0.0 109.536 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 10.0 p -140.6 160.26 24.49 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.852 0 N-CA-C 109.508 -0.552 . . . . 0.0 109.508 178.866 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.444 ' HB3' ' O ' ' A' ' 26' ' ' LYS . . . -101.92 146.03 28.41 Favored 'General case' 0 C--N 1.312 -1.047 0 CA-C-O 120.764 0.316 . . . . 0.0 111.415 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.484 ' O ' ' HG3' ' A' ' 27' ' ' LYS . 0.4 OUTLIER -92.43 -37.08 12.76 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.546 178.941 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 70.6 m-85 -138.59 151.61 47.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.654 0.264 . . . . 0.0 111.33 -179.133 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -52.02 126.04 17.26 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.67 -0.696 . . . . 0.0 111.383 170.314 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . 0.6 ' HB3' ' CG1' ' A' ' 25' ' ' ILE . 7.4 t80 -129.73 110.94 12.17 Favored 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 109.481 -0.562 . . . . 0.0 109.481 171.632 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 50.5 t -87.45 130.35 37.38 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.676 0 CA-C-N 115.524 -0.762 . . . . 0.0 109.823 178.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.455 ' HB1' ' HB2' ' A' ' 22' ' ' GLU . . . -91.78 145.29 24.69 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 115.766 -0.652 . . . . 0.0 109.317 -179.757 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 14.7 mt-30 -65.69 -46.95 77.12 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 120.874 0.368 . . . . 0.0 110.832 -176.91 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 11.5 mm100 -136.3 165.38 25.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.049 176.011 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 6.9 mp0 -70.85 -3.4 18.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.769 -174.838 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.404 ' HG3' ' HG2' ' A' ' 22' ' ' GLU . 13.9 pt20 -71.2 -17.29 62.53 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.536 0.684 . . . . 0.0 109.668 173.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.455 ' HB2' ' HB1' ' A' ' 17' ' ' ALA . 7.3 mm-40 -107.81 -178.78 3.71 Favored 'General case' 0 N--CA 1.448 -0.552 0 CA-C-N 114.88 -1.055 . . . . 0.0 108.962 178.155 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.798 HD11 ' HB3' ' A' ' 45' ' ' ASN . 0.6 OUTLIER -104.77 128.78 53.02 Favored 'General case' 0 C--N 1.321 -0.652 0 C-N-CA 120.351 -0.54 . . . . 0.0 109.891 -177.944 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -104.26 124.17 48.67 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 109.955 -0.387 . . . . 0.0 109.955 179.704 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.681 HD13 HG12 ' A' ' 58' ' ' VAL . 1.1 pt -126.84 169.15 18.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 121.372 0.606 . . . . 0.0 111.897 -174.807 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.552 ' HB3' ' HB2' ' A' ' 29' ' ' GLU . 54.5 tptt -133.63 151.03 51.59 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.348 -0.842 . . . . 0.0 109.24 -174.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.484 ' HG3' ' O ' ' A' ' 12' ' ' LYS . 84.8 tttt -58.72 128.25 36.28 Favored 'General case' 0 C--O 1.235 0.322 0 CA-C-N 117.984 0.356 . . . . 0.0 110.176 177.483 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 64.2 t30 68.58 20.34 8.39 Favored 'General case' 0 N--CA 1.469 0.488 0 CA-C-N 115.767 -0.651 . . . . 0.0 111.189 178.575 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.552 ' HB2' ' HB3' ' A' ' 26' ' ' LYS . 10.1 tp10 -93.6 148.5 22.04 Favored 'General case' 0 C--N 1.328 -0.357 0 O-C-N 121.887 -0.508 . . . . 0.0 109.638 174.808 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.619 ' O ' HD13 ' A' ' 31' ' ' LEU . 5.8 ptp180 -91.76 136.46 33.13 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.017 -177.167 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.619 HD13 ' O ' ' A' ' 30' ' ' ARG . 1.9 mm? -123.7 166.38 15.63 Favored 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 109.522 -0.547 . . . . 0.0 109.522 175.143 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . 0.406 ' HE3' ' O ' ' A' ' 44' ' ' ARG . 20.2 m-90 -107.59 117.68 34.74 Favored 'General case' 0 C--N 1.314 -0.961 0 N-CA-C 109.407 -0.59 . . . . 0.0 109.407 176.202 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.559 ' HA ' HG12 ' A' ' 43' ' ' VAL . 41.5 tp -92.57 114.46 27.02 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-O 120.979 0.419 . . . . 0.0 111.047 -173.642 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -99.64 -30.35 12.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.421 -179.726 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -157.93 140.69 14.8 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.749 -0.66 . . . . 0.0 110.356 -175.843 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . 0.448 ' HB3' HD11 ' A' ' 33' ' ' LEU . 17.7 p-10 -145.56 87.33 1.78 Allowed 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 122.144 0.973 . . . . 0.0 109.231 178.374 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 16.4 p -57.52 -48.21 79.89 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 114.743 -1.117 . . . . 0.0 111.46 -179.515 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.417 ' HB3' ' HE2' ' A' ' 38' ' ' LYS . 36.0 ttpt -179.5 -74.76 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.322 179.2 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 13.2 m -97.05 -31.1 12.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.552 -176.146 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 13.3 m95 -107.53 110.79 22.8 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.116 179.737 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . 0.492 ' CH2' ' HG3' ' A' ' 60' ' ' ARG . 24.1 m0 -95.94 146.65 24.43 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.652 -175.777 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 5.0 ttm180 -108.46 111.46 23.36 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.113 -0.494 . . . . 0.0 109.875 -179.606 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.741 HG23 ' HG ' ' A' ' 23' ' ' LEU . 5.8 m -133.47 157.73 42.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-O 121.573 0.701 . . . . 0.0 112.468 -174.674 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.406 ' O ' ' HE3' ' A' ' 32' ' ' TRP . 47.6 ttt-85 -108.74 136.45 48.28 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 114.785 -1.098 . . . . 0.0 108.29 170.328 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . 0.798 ' HB3' HD11 ' A' ' 23' ' ' LEU . 35.9 p-10 -107.69 177.42 4.83 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-O 120.792 0.329 . . . . 0.0 111.019 -178.488 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 8.7 m -66.78 -11.92 56.81 Favored 'General case' 0 CA--C 1.533 0.305 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.502 -178.372 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 41.3 ttp -93.19 20.81 6.52 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.177 0.513 . . . . 0.0 109.798 179.43 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 9.0 p30 49.8 26.26 1.84 Allowed 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 124.553 1.141 . . . . 0.0 113.369 174.748 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 32.2 mmtp -106.88 167.94 9.54 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 109.47 -0.567 . . . . 0.0 109.47 175.106 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . 0.558 ' HA ' HD23 ' A' ' 23' ' ' LEU . 3.9 m -141.83 151.94 43.22 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 120.912 0.387 . . . . 0.0 110.522 179.598 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 176.07 -160.2 28.0 Favored Glycine 0 N--CA 1.445 -0.706 0 N-CA-C 111.201 -0.76 . . . . 0.0 111.201 -178.388 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.473 ' HA ' ' O ' ' A' ' 41' ' ' TRP . 94.6 m-85 -112.29 143.27 43.66 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 120.971 0.415 . . . . 0.0 110.672 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.508 HG13 ' HB3' ' A' ' 23' ' ' LEU . 15.8 m -128.31 151.65 76.76 Favored Pre-proline 0 C--N 1.322 -0.624 0 CA-C-N 115.494 -0.775 . . . . 0.0 111.761 -179.009 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.712 ' HG2' ' HB2' ' A' ' 57' ' ' TYR . 42.9 Cg_endo -68.09 133.25 28.28 Favored 'Trans proline' 0 C--O 1.234 0.286 0 C-N-CA 123.607 2.872 . . . . 0.0 112.765 176.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 47.0 t -68.54 -11.48 59.97 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.566 -179.392 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 18.0 m120 -86.46 -24.7 25.53 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.788 0.328 . . . . 0.0 110.984 179.427 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . 0.712 ' HB2' ' HG2' ' A' ' 54' ' ' PRO . 41.6 m-85 -98.82 -25.63 14.57 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.501 -0.318 . . . . 0.0 111.036 -177.214 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.681 HG12 HD13 ' A' ' 25' ' ' ILE . 15.9 m -110.14 166.68 5.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 N-CA-C 109.583 -0.525 . . . . 0.0 109.583 177.498 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -154.7 161.21 41.64 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.278 0.561 . . . . 0.0 112.061 -177.618 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . 0.492 ' HG3' ' CH2' ' A' ' 41' ' ' TRP . 54.8 mtt180 -83.79 113.37 20.86 Favored 'General case' 0 CA--C 1.514 -0.44 0 N-CA-C 108.431 -0.952 . . . . 0.0 108.431 168.583 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.73 138.52 52.91 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 116.247 -0.433 . . . . 0.0 109.894 -179.898 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 52.4 m-80 -111.84 -40.49 4.26 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 120.887 0.375 . . . . 0.0 110.401 179.753 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 15.7 m . . . . . 0 C--O 1.247 0.936 0 CA-C-O 118.675 -0.679 . . . . 0.0 109.275 176.927 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.806 0 N-CA-C 112.343 -0.303 . . . . 0.0 112.343 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 21.0 p -175.2 -171.22 0.49 Allowed 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 108.702 -0.851 . . . . 0.0 108.702 179.734 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 11.9 tpt -63.83 98.71 0.21 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.017 0.436 . . . . 0.0 109.852 172.6 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -163.27 145.64 10.06 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.002 -179.792 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 50.3 mt-10 -103.2 107.19 17.91 Favored 'General case' 0 C--N 1.319 -0.725 0 N-CA-C 109.741 -0.466 . . . . 0.0 109.741 175.236 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 43.1 mm-40 -66.05 137.84 57.36 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 109.287 -0.634 . . . . 0.0 109.287 178.674 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 13.8 m -63.91 116.55 3.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-O 121.522 0.677 . . . . 0.0 111.679 -175.118 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 42.4 t -95.29 137.95 22.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-N 115.632 -0.713 . . . . 0.0 111.311 -178.233 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.708 ' HB ' ' O ' ' A' ' 59' ' ' GLU . 25.6 m -114.14 179.17 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.791 0 CA-C-N 114.787 -1.097 . . . . 0.0 108.9 177.054 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 11.9 p -140.63 145.85 25.06 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.797 0 N-CA-C 109.913 -0.403 . . . . 0.0 109.913 -178.72 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -87.41 145.84 26.12 Favored 'General case' 0 C--N 1.316 -0.864 0 CA-C-O 120.97 0.414 . . . . 0.0 111.957 -176.142 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.569 ' HD3' ' CD ' ' A' ' 59' ' ' GLU . 39.1 tptt -88.71 -43.9 10.97 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.798 -0.637 . . . . 0.0 109.956 -179.576 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.451 ' HB2' ' HD2' ' A' ' 57' ' ' TYR . 96.9 m-85 -135.85 164.73 27.26 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.683 -0.689 . . . . 0.0 110.182 179.909 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 13.1 m-20 -67.84 132.36 47.24 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.75 177.172 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . 0.542 ' HB3' ' CG1' ' A' ' 25' ' ' ILE . 10.3 t80 -135.81 111.6 9.42 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.096 0.474 . . . . 0.0 110.054 174.004 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 44.2 t -90.75 128.96 42.28 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 CA-C-N 115.905 -0.589 . . . . 0.0 109.815 178.874 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.545 ' HB1' ' HB2' ' A' ' 22' ' ' GLU . . . -81.32 137.78 35.74 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 109.516 -0.55 . . . . 0.0 109.516 -178.265 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.428 HE21 ' HB2' ' A' ' 18' ' ' GLN . 24.3 mt-30 -73.55 -29.72 62.61 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.254 0.549 . . . . 0.0 110.847 -177.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . 0.504 ' HB3' ' HG2' ' A' ' 21' ' ' GLN . 0.3 OUTLIER -139.09 156.38 47.21 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.605 -0.725 . . . . 0.0 109.526 174.975 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 -71.21 -3.2 18.97 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.904 0.383 . . . . 0.0 111.356 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.504 ' HG2' ' HB3' ' A' ' 19' ' ' GLN . 10.8 pt20 -70.72 -21.38 62.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.6 0.714 . . . . 0.0 109.295 172.699 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.545 ' HB2' ' HB1' ' A' ' 17' ' ' ALA . 6.6 mm-40 -101.44 -179.25 3.97 Favored 'General case' 0 N--CA 1.448 -0.537 0 CA-C-N 114.867 -1.06 . . . . 0.0 108.608 179.671 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.676 HD23 ' HA ' ' A' ' 50' ' ' THR . 0.6 OUTLIER -106.2 128.44 53.94 Favored 'General case' 0 C--N 1.32 -0.702 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 179.156 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -96.28 133.58 40.45 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 109.385 -0.598 . . . . 0.0 109.385 178.207 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.689 HD13 HG12 ' A' ' 58' ' ' VAL . 1.0 OUTLIER -134.11 160.14 41.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-O 121.234 0.54 . . . . 0.0 111.134 -177.376 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.549 ' HB3' ' HB2' ' A' ' 29' ' ' GLU . 4.5 tppp? -121.77 152.96 38.9 Favored 'General case' 0 C--N 1.32 -0.692 0 N-CA-C 108.8 -0.815 . . . . 0.0 108.8 -177.491 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 55.6 tttp -59.59 130.56 47.42 Favored 'General case' 0 C--N 1.326 -0.43 0 C-N-CA 120.896 -0.322 . . . . 0.0 110.411 178.589 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 4.8 t30 68.93 15.7 8.86 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.99 177.44 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.549 ' HB2' ' HB3' ' A' ' 26' ' ' LYS . 8.9 tp10 -94.26 152.31 18.78 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 122.019 -0.425 . . . . 0.0 110.243 -179.437 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.647 ' O ' HD13 ' A' ' 31' ' ' LEU . 6.3 ptp180 -91.15 140.9 29.38 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.421 -177.285 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.647 HD13 ' O ' ' A' ' 30' ' ' ARG . 2.2 mm? -127.45 168.64 14.61 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 109.223 -0.658 . . . . 0.0 109.223 175.018 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 20.3 m-90 -105.0 123.83 48.48 Favored 'General case' 0 C--N 1.315 -0.917 0 N-CA-C 109.566 -0.531 . . . . 0.0 109.566 174.779 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.555 ' HA ' HG12 ' A' ' 43' ' ' VAL . 37.5 tp -97.11 127.06 42.72 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 120.994 0.425 . . . . 0.0 111.282 -175.232 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -108.33 -39.31 5.49 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.362 179.455 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -155.87 134.77 11.97 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.464 -0.335 . . . . 0.0 110.457 -176.163 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 14.8 p-10 -113.34 74.41 0.86 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 122.526 1.155 . . . . 0.0 109.412 178.583 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . 0.464 ' O ' ' HB3' ' A' ' 38' ' ' LYS . 1.4 p -65.91 5.09 0.53 Allowed 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 113.747 -1.57 . . . . 0.0 113.682 -179.193 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.464 ' HB3' ' O ' ' A' ' 37' ' ' SER . 38.1 ttpt 76.37 -62.6 0.42 Allowed 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 123.085 0.554 . . . . 0.0 111.15 179.47 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.473 ' O ' ' HB2' ' A' ' 40' ' ' TRP . 9.1 p -80.11 88.13 5.44 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 109.355 -0.609 . . . . 0.0 109.355 175.847 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' TRP . . . . . 0.637 ' HB3' ' HB3' ' A' ' 52' ' ' PHE . 38.4 m0 71.28 133.97 0.04 OUTLIER 'General case' 0 C--O 1.231 0.083 0 CA-C-N 115.024 -0.989 . . . . 0.0 110.352 -171.24 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 46.1 m0 -98.97 146.86 25.58 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.373 -179.771 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 13.9 ttm-85 -93.43 107.77 19.55 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.291 178.081 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.567 HG23 ' HG ' ' A' ' 23' ' ' LEU . 5.0 m -131.95 170.89 18.97 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-N 115.74 -0.663 . . . . 0.0 111.619 -178.542 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.515 ' HG3' ' O ' ' A' ' 49' ' ' LYS . 16.3 ttm180 -136.62 131.44 33.71 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.171 -0.922 . . . . 0.0 109.964 176.942 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . 0.549 ' HB2' HD11 ' A' ' 23' ' ' LEU . 21.1 t-20 -93.68 177.43 6.01 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 108.624 -0.88 . . . . 0.0 108.624 175.782 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 18.2 p -70.23 -7.76 44.72 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.999 0.428 . . . . 0.0 111.208 179.591 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 15.3 tpt -73.65 -2.56 23.62 Favored 'General case' 0 CA--C 1.532 0.277 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.717 178.878 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 28.6 m-80 74.04 -6.36 1.85 Allowed 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 123.489 0.715 . . . . 0.0 111.767 174.809 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.515 ' O ' ' HG3' ' A' ' 44' ' ' ARG . 31.1 mmtp -82.85 165.96 19.36 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 109.526 -0.546 . . . . 0.0 109.526 175.164 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . 0.676 ' HA ' HD23 ' A' ' 23' ' ' LEU . 4.5 m -143.08 154.88 44.4 Favored 'General case' 0 C--N 1.32 -0.704 0 N-CA-C 109.336 -0.616 . . . . 0.0 109.336 -177.568 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 173.07 -147.54 9.75 Favored Glycine 0 N--CA 1.444 -0.831 0 C-N-CA 120.525 -0.845 . . . . 0.0 112.331 -178.578 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.637 ' HB3' ' HB3' ' A' ' 40' ' ' TRP . 76.9 m-85 -119.46 146.92 44.98 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 120.575 0.226 . . . . 0.0 110.888 -176.236 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.45 HG13 ' HB3' ' A' ' 23' ' ' LEU . 29.7 m -132.56 151.73 78.71 Favored Pre-proline 0 C--N 1.325 -0.468 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.112 177.426 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.668 ' HG2' ' HB2' ' A' ' 57' ' ' TYR . 52.8 Cg_endo -69.25 123.08 9.9 Favored 'Trans proline' 0 C--N 1.345 0.394 0 C-N-CA 123.401 2.734 . . . . 0.0 112.444 177.443 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 6.2 p -64.78 -20.62 66.47 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 112.577 0.584 . . . . 0.0 112.577 -175.841 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 95.2 m-20 -84.46 -8.88 58.81 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.572 0.225 . . . . 0.0 111.248 -179.779 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . 0.668 ' HB2' ' HG2' ' A' ' 54' ' ' PRO . 69.5 m-85 -114.43 -4.78 12.89 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.772 0.32 . . . . 0.0 110.871 -178.349 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.689 HG12 HD13 ' A' ' 25' ' ' ILE . 27.8 m -128.51 163.03 34.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.387 -0.369 . . . . 0.0 110.414 -179.359 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.708 ' O ' ' HB ' ' A' ' 9' ' ' VAL . 56.0 mt-10 -134.63 165.9 24.15 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.213 0.53 . . . . 0.0 110.765 177.671 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . 0.48 ' HA ' HG12 ' A' ' 9' ' ' VAL . 13.7 ptm180 -129.1 -176.31 3.83 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.305 -0.861 . . . . 0.0 109.101 173.138 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 33.5 mmtp -76.32 127.25 32.5 Favored 'General case' 0 C--N 1.319 -0.724 0 N-CA-C 108.134 -1.061 . . . . 0.0 108.134 170.791 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 16.9 p-10 -78.34 76.08 4.85 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.888 0.851 . . . . 0.0 110.792 -176.367 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 29.4 p . . . . . 0 C--O 1.248 0.987 0 CA-C-N 114.557 -1.201 . . . . 0.0 109.097 -179.125 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.663 0 N-CA-C 111.5 -0.64 . . . . 0.0 111.5 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 11.6 p -64.79 113.22 3.65 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.579 0.228 . . . . 0.0 111.174 -178.518 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 48.6 ttp 70.55 -60.7 0.49 Allowed 'General case' 0 CA--C 1.534 0.347 0 CA-C-N 115.586 -0.734 . . . . 0.0 112.646 175.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -105.6 147.16 28.74 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.036 0.446 . . . . 0.0 112.121 -173.165 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 28.5 tt0 -74.48 147.98 41.42 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.324 -0.853 . . . . 0.0 110.178 175.818 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 31.7 mt-10 -75.16 142.55 43.52 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.469 -0.332 . . . . 0.0 110.244 178.354 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 27.0 m -90.15 147.93 4.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-O 120.93 0.395 . . . . 0.0 111.347 -177.796 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 41.0 t -124.4 141.88 43.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-O 121.632 0.729 . . . . 0.0 111.585 -177.853 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.436 ' CG1' ' HB3' ' A' ' 60' ' ' ARG . 30.8 m -118.88 -178.58 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 CA-C-N 114.541 -1.208 . . . . 0.0 108.92 178.116 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 12.2 p -140.87 141.07 32.28 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.76 0 C-N-CA 120.423 -0.511 . . . . 0.0 111.009 -178.228 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -82.26 145.79 29.82 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.532 -178.529 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.659 ' HB2' ' HG2' ' A' ' 59' ' ' GLU . 68.3 tttt -86.85 -52.19 5.63 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.48 -0.782 . . . . 0.0 109.628 -178.873 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.417 ' HB2' ' HD2' ' A' ' 57' ' ' TYR . 72.6 m-85 -132.87 165.9 23.57 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.597 -0.729 . . . . 0.0 109.597 177.772 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.463 ' HB3' ' HD2' ' A' ' 26' ' ' LYS . 0.7 OUTLIER -75.73 139.07 41.67 Favored 'General case' 0 N--CA 1.447 -0.577 0 CA-C-O 121.377 0.608 . . . . 0.0 112.12 -178.139 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . 0.55 ' HB3' HG13 ' A' ' 25' ' ' ILE . 11.1 t80 -137.16 112.97 9.56 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 114.99 -1.005 . . . . 0.0 110.756 -178.893 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 54.0 t -85.88 135.58 24.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-N 116.168 -0.469 . . . . 0.0 109.966 176.483 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.543 ' HB1' ' HB2' ' A' ' 22' ' ' GLU . . . -105.81 160.29 15.35 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.175 -176.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 27.0 mt-30 -67.57 -65.58 0.67 Allowed 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.871 0.367 . . . . 0.0 110.73 -179.726 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . 0.587 ' HB2' ' HG2' ' A' ' 21' ' ' GLN . 44.6 mt-30 -122.39 166.9 13.99 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 109.101 -0.703 . . . . 0.0 109.101 176.775 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.984 ' HB2' ' HD3' ' A' ' 49' ' ' LYS . 1.2 pm0 -72.98 -1.51 17.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.719 0.295 . . . . 0.0 111.793 178.638 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.587 ' HG2' ' HB2' ' A' ' 19' ' ' GLN . 10.1 pt20 -64.1 -26.59 68.61 Favored 'General case' 0 C--N 1.333 -0.132 0 CA-C-O 121.908 0.861 . . . . 0.0 108.717 167.286 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.543 ' HB2' ' HB1' ' A' ' 17' ' ' ALA . 20.0 mm-40 -92.03 -179.21 5.22 Favored 'General case' 0 N--CA 1.446 -0.658 0 N-CA-C 107.363 -1.347 . . . . 0.0 107.363 174.145 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.839 ' HG ' HG23 ' A' ' 43' ' ' VAL . 0.6 OUTLIER -110.93 127.88 55.62 Favored 'General case' 0 C--N 1.316 -0.862 0 C-N-CA 119.584 -0.846 . . . . 0.0 109.225 175.868 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 6.5 p-10 -99.25 133.62 43.28 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 109.753 -0.462 . . . . 0.0 109.753 177.645 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.778 HD13 HG12 ' A' ' 58' ' ' VAL . 1.1 pt -135.73 159.8 39.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-O 121.237 0.542 . . . . 0.0 111.199 -176.276 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.463 ' HD2' ' HB3' ' A' ' 14' ' ' ASP . 53.7 tptt -124.43 158.28 33.15 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 109.501 -0.555 . . . . 0.0 109.501 -178.25 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -57.45 124.77 20.12 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.522 0.201 . . . . 0.0 110.802 177.167 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 66.3 t30 68.34 25.55 7.01 Favored 'General case' 0 N--CA 1.467 0.375 0 O-C-N 123.902 0.751 . . . . 0.0 110.742 178.725 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.414 ' HB2' ' HB3' ' A' ' 26' ' ' LYS . 8.2 tp10 -91.34 144.77 25.24 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.08 177.883 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.448 ' O ' HD13 ' A' ' 31' ' ' LEU . 16.7 ptt-85 -93.86 126.11 38.87 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-O 120.871 0.367 . . . . 0.0 110.412 -179.177 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.448 HD13 ' O ' ' A' ' 30' ' ' ARG . 1.4 mm? -118.52 168.61 10.51 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 109.973 -0.38 . . . . 0.0 109.973 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 12.1 m-90 -104.4 122.0 44.57 Favored 'General case' 0 C--N 1.319 -0.747 0 N-CA-C 109.682 -0.488 . . . . 0.0 109.682 175.392 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.54 HD21 ' HB3' ' A' ' 36' ' ' ASP . 45.5 tp -95.9 129.98 43.0 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 120.926 0.393 . . . . 0.0 111.31 -175.358 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -108.06 -46.7 3.7 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.831 -0.622 . . . . 0.0 109.954 177.77 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . 0.491 ' HB2' ' HB3' ' A' ' 42' ' ' ARG . 7.7 m-20 -141.67 133.71 27.59 Favored 'General case' 0 N--CA 1.467 0.376 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.715 -177.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . 0.54 ' HB3' HD21 ' A' ' 33' ' ' LEU . 6.8 p-10 -128.53 19.76 6.21 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.074 0.464 . . . . 0.0 110.813 179.54 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 5.7 p -84.49 3.3 37.05 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 112.547 0.573 . . . . 0.0 112.547 -173.42 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.592 ' HA ' ' HE2' ' A' ' 38' ' ' LYS . 5.4 mmpt? -126.15 175.59 7.66 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 122.067 -0.395 . . . . 0.0 111.319 -178.682 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 3.2 m -61.66 -40.25 94.26 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-O 121.593 0.711 . . . . 0.0 109.544 174.683 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' TRP . . . . . 0.546 ' HB3' ' HB3' ' A' ' 52' ' ' PHE . 13.2 m0 -92.78 132.17 37.2 Favored 'General case' 0 N--CA 1.448 -0.554 0 CA-C-N 114.833 -1.076 . . . . 0.0 109.665 171.804 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . 0.447 ' CZ3' ' HG3' ' A' ' 60' ' ' ARG . 50.2 m0 -96.31 137.33 35.55 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-O 121.003 0.43 . . . . 0.0 110.736 179.122 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.491 ' HB3' ' HB2' ' A' ' 35' ' ' ASP . 16.1 tpp85 -86.41 108.43 18.48 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.578 -0.737 . . . . 0.0 109.59 178.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.839 HG23 ' HG ' ' A' ' 23' ' ' LEU . 6.4 m -132.45 162.12 40.31 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.681 0 CA-C-O 121.446 0.641 . . . . 0.0 111.647 -177.624 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.448 ' HG2' ' O ' ' A' ' 49' ' ' LYS . 0.4 OUTLIER -126.19 125.82 43.07 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 114.653 -1.158 . . . . 0.0 108.743 178.206 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . 0.608 ' HB3' HD11 ' A' ' 23' ' ' LEU . 39.9 p30 -91.94 -178.55 5.04 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.196 0.522 . . . . 0.0 112.339 -175.147 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 15.0 m -69.66 -8.25 46.05 Favored 'General case' 0 CA--C 1.534 0.328 0 CA-C-N 115.386 -0.824 . . . . 0.0 111.902 -177.345 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 40.7 ttm -90.48 5.38 47.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.276 0.56 . . . . 0.0 109.521 177.645 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 27.4 m-80 69.81 14.7 8.02 Favored 'General case' 0 N--CA 1.467 0.412 0 CA-C-N 115.112 -0.949 . . . . 0.0 110.483 176.808 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.984 ' HD3' ' HB2' ' A' ' 20' ' ' GLU . 98.8 mttt -98.24 164.89 12.13 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.647 -0.706 . . . . 0.0 109.404 179.155 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . 0.476 ' HA ' HD23 ' A' ' 23' ' ' LEU . 3.0 m -142.47 153.88 44.05 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 120.74 0.305 . . . . 0.0 110.681 -172.195 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 174.22 -147.77 9.49 Favored Glycine 0 N--CA 1.446 -0.645 0 N-CA-C 111.474 -0.65 . . . . 0.0 111.474 -179.22 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.546 ' HB3' ' HB3' ' A' ' 40' ' ' TRP . 87.7 m-85 -123.06 149.87 43.85 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 120.818 0.342 . . . . 0.0 110.622 -179.436 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.541 HG13 ' HB3' ' A' ' 23' ' ' LEU . 16.9 m -132.31 152.53 80.26 Favored Pre-proline 0 C--N 1.324 -0.528 0 CA-C-N 115.844 -0.616 . . . . 0.0 111.473 179.192 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.53 ' O ' HG22 ' A' ' 58' ' ' VAL . 59.8 Cg_endo -72.06 125.05 10.55 Favored 'Trans proline' 0 C--N 1.343 0.24 0 C-N-CA 123.478 2.786 . . . . 0.0 111.798 175.924 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 1.7 p -67.66 -11.7 58.83 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 112.37 0.508 . . . . 0.0 112.37 -176.175 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 5.4 t-20 -78.06 -25.82 47.95 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.088 0.47 . . . . 0.0 110.54 177.227 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . 0.436 ' HB2' ' HG2' ' A' ' 54' ' ' PRO . 86.1 m-85 -105.43 -9.61 17.43 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.618 -176.608 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.778 HG12 HD13 ' A' ' 25' ' ' ILE . 34.3 m -121.8 152.6 25.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-O 120.831 0.348 . . . . 0.0 111.165 -178.405 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.659 ' HG2' ' HB2' ' A' ' 12' ' ' LYS . 5.7 mm-40 -131.27 165.65 22.92 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.004 -0.544 . . . . 0.0 109.631 -178.672 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . 0.447 ' HG3' ' CZ3' ' A' ' 41' ' ' TRP . 0.0 OUTLIER -153.5 175.09 13.57 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.029 0.442 . . . . 0.0 111.621 172.026 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 71.2 mmtt -70.41 108.01 4.07 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.186 -0.916 . . . . 0.0 110.366 -176.216 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 6.2 t30 -93.58 -46.03 7.47 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.578 0.704 . . . . 0.0 109.388 177.74 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 2.2 p . . . . . 0 N--CA 1.439 -0.994 0 CA-C-N 114.986 -1.006 . . . . 0.0 109.459 178.545 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.898 0 N-CA-C 112.454 -0.258 . . . . 0.0 112.454 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 43.7 m -121.05 110.81 16.69 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 120.889 0.376 . . . . 0.0 111.057 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -142.58 157.58 44.56 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.638 179.317 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -149.48 -64.73 0.22 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.804 0.335 . . . . 0.0 111.141 179.723 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 43.4 tt0 -148.26 71.82 1.18 Allowed 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.586 0.707 . . . . 0.0 109.552 178.901 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 6.0 mp0 -109.98 109.92 20.67 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.379 -0.828 . . . . 0.0 109.385 178.386 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 23.0 m -67.45 135.31 28.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-O 121.346 0.593 . . . . 0.0 111.522 -175.85 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.494 ' O ' ' HG2' ' A' ' 61' ' ' LYS . 54.1 t -92.87 137.8 21.54 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.657 0 CA-C-O 121.615 0.722 . . . . 0.0 111.025 178.871 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.662 ' HB ' ' O ' ' A' ' 59' ' ' GLU . 25.2 m -117.4 -175.87 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.314 -0.939 0 CA-C-N 114.493 -1.23 . . . . 0.0 109.186 179.684 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 8.8 p -140.57 137.51 36.04 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.791 0 CA-C-O 120.925 0.393 . . . . 0.0 110.291 -179.307 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.458 ' HB2' HD21 ' A' ' 31' ' ' LEU . . . -77.21 145.83 37.35 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-O 120.993 0.425 . . . . 0.0 111.679 -176.467 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.573 ' HD3' ' HG3' ' A' ' 59' ' ' GLU . 23.9 tptp -83.62 -52.85 6.1 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.16 -178.717 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 73.3 m-85 -129.23 166.73 18.82 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.364 -179.18 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 26.4 m-20 -68.18 131.66 45.79 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.501 176.481 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . 0.57 ' HB3' ' CG1' ' A' ' 25' ' ' ILE . 18.8 t80 -135.63 111.02 9.08 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.102 173.617 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 45.0 t -90.47 133.45 32.28 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.737 0 CA-C-N 115.684 -0.689 . . . . 0.0 109.39 177.718 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.635 ' HB1' ' HG3' ' A' ' 22' ' ' GLU . . . -98.58 159.17 15.13 Favored 'General case' 0 C--N 1.32 -0.715 0 N-CA-C 109.383 -0.599 . . . . 0.0 109.383 -179.436 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 26.4 mt-30 -78.89 -43.23 25.35 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 120.832 0.349 . . . . 0.0 111.224 -176.898 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . 0.559 ' HB3' ' HG2' ' A' ' 21' ' ' GLN . 13.2 tt0 -136.93 166.26 24.05 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 109.54 -0.541 . . . . 0.0 109.54 -179.623 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 -71.21 -2.49 16.16 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.721 -0.218 . . . . 0.0 111.397 -178.612 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.559 ' HG2' ' HB3' ' A' ' 19' ' ' GLN . 3.9 pt20 -69.16 -28.33 66.34 Favored 'General case' 0 C--O 1.232 0.165 0 CA-C-O 121.243 0.544 . . . . 0.0 110.053 176.94 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.635 ' HG3' ' HB1' ' A' ' 17' ' ' ALA . 3.8 pt-20 -104.6 -178.87 3.78 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.502 -0.772 . . . . 0.0 109.037 173.836 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.533 ' HB3' HG13 ' A' ' 53' ' ' VAL . 1.0 OUTLIER -104.41 127.66 52.13 Favored 'General case' 0 C--N 1.319 -0.728 0 C-N-CA 120.064 -0.654 . . . . 0.0 109.799 -176.642 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -97.81 121.29 39.55 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.628 -0.715 . . . . 0.0 109.204 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.777 HD13 HG12 ' A' ' 58' ' ' VAL . 1.2 pt -120.56 175.1 4.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 121.278 0.561 . . . . 0.0 111.258 -175.787 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.55 ' HB3' ' HB2' ' A' ' 29' ' ' GLU . 14.6 tptp -139.0 155.04 48.29 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 109.402 -0.592 . . . . 0.0 109.402 -177.827 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 53.3 tttm -59.98 127.41 31.77 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.753 0.311 . . . . 0.0 111.059 179.104 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 7.1 t30 64.65 21.91 12.5 Favored 'General case' 0 CA--C 1.537 0.462 0 CA-C-N 115.326 -0.852 . . . . 0.0 110.828 178.214 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.55 ' HB2' ' HB3' ' A' ' 26' ' ' LYS . 10.3 tp10 -90.36 144.63 25.63 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 109.157 -0.683 . . . . 0.0 109.157 177.352 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.539 ' O ' HD13 ' A' ' 31' ' ' LEU . 6.9 ptp85 -87.74 131.01 34.64 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-O 120.765 0.317 . . . . 0.0 110.147 -178.039 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.539 HD13 ' O ' ' A' ' 30' ' ' ARG . 1.5 mm? -121.1 162.85 19.32 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 109.687 -0.486 . . . . 0.0 109.687 177.002 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . 0.482 ' HB2' ' HB3' ' A' ' 44' ' ' ARG . 17.8 m-90 -96.05 121.64 38.03 Favored 'General case' 0 C--N 1.316 -0.88 0 N-CA-C 109.091 -0.707 . . . . 0.0 109.091 174.513 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.607 HD21 ' HB3' ' A' ' 36' ' ' ASP . 30.9 tp -96.94 115.37 27.31 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 121.13 0.491 . . . . 0.0 111.297 -174.735 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -102.34 -30.74 10.87 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.21 179.144 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -146.11 124.97 12.66 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.217 -177.394 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . 0.607 ' HB3' HD21 ' A' ' 33' ' ' LEU . 3.6 p30 -129.45 39.79 3.69 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.086 175.691 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 50.6 m -52.1 -47.08 65.45 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-N 115.813 -0.631 . . . . 0.0 112.329 -174.054 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 34.8 ttpt -176.27 -74.66 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.261 0 CA-C-O 120.871 0.367 . . . . 0.0 111.206 175.47 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 49.9 m -101.5 127.54 48.14 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.162 -177.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' TRP . . . . . 0.582 ' HA ' ' O ' ' A' ' 53' ' ' VAL . 26.9 m95 64.32 97.72 0.04 OUTLIER 'General case' 0 C--N 1.332 -0.187 0 O-C-N 123.754 0.658 . . . . 0.0 110.952 179.797 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 53.0 m0 -84.79 142.75 29.57 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.559 -0.746 . . . . 0.0 110.187 -177.815 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 62.3 ttt180 -90.74 111.39 22.74 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 109.516 -0.55 . . . . 0.0 109.516 178.913 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.54 HG12 ' HA ' ' A' ' 33' ' ' LEU . 6.2 m -132.11 164.57 34.43 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.721 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.975 -174.788 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.482 ' HB3' ' HB2' ' A' ' 32' ' ' TRP . 34.5 ttm180 -123.82 130.66 52.97 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 114.883 -1.053 . . . . 0.0 109.371 175.928 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . 0.412 ' HA ' HD12 ' A' ' 31' ' ' LEU . 21.9 t-20 -91.46 170.91 9.57 Favored 'General case' 0 C--N 1.32 -0.678 0 N-CA-C 109.119 -0.697 . . . . 0.0 109.119 176.49 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 11.9 p -68.4 -9.04 45.64 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.829 0.347 . . . . 0.0 111.297 -179.573 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' MET . . . . . 0.412 ' O ' ' HG3' ' A' ' 47' ' ' MET . 48.4 tpp -81.64 5.45 18.19 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 121.436 0.636 . . . . 0.0 109.892 175.539 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 35.9 m-80 68.5 11.21 8.27 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-N 115.494 -0.776 . . . . 0.0 111.313 174.397 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.768 ' HA ' ' HE3' ' A' ' 49' ' ' LYS . 0.0 OUTLIER -86.0 155.0 21.05 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 108.822 -0.807 . . . . 0.0 108.822 174.791 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 2.1 m -138.13 150.61 46.99 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 120.861 0.362 . . . . 0.0 110.593 177.266 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 173.7 -158.47 27.59 Favored Glycine 0 N--CA 1.445 -0.752 0 N-CA-C 111.633 -0.587 . . . . 0.0 111.633 -178.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.419 ' HB3' ' HB3' ' A' ' 40' ' ' TRP . 97.6 m-85 -114.01 144.63 42.79 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 109.75 -0.463 . . . . 0.0 109.75 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.582 ' O ' ' HA ' ' A' ' 40' ' ' TRP . 17.7 m -128.86 153.61 80.01 Favored Pre-proline 0 C--N 1.32 -0.68 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.442 -179.131 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 17.8 Cg_endo -58.45 118.15 4.98 Favored 'Trans proline' 0 N--CA 1.463 -0.303 0 C-N-CA 123.019 2.479 . . . . 0.0 111.333 173.521 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -65.91 -10.72 41.28 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.801 -0.636 . . . . 0.0 112.123 -174.648 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 17.7 m120 -89.4 -16.3 31.25 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.708 0.29 . . . . 0.0 111.327 179.905 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 39.8 m-85 -107.89 -7.1 16.35 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.994 0.426 . . . . 0.0 111.165 -176.734 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.777 HG12 HD13 ' A' ' 25' ' ' ILE . 34.7 m -122.5 152.99 27.03 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 CA-C-N 115.969 -0.56 . . . . 0.0 109.853 178.53 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.662 ' O ' ' HB ' ' A' ' 9' ' ' VAL . 6.0 mm-40 -136.01 166.24 23.8 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.205 0.526 . . . . 0.0 110.881 -176.291 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . 0.504 ' HA ' ' HB ' ' A' ' 9' ' ' VAL . 1.4 ptm180 -121.17 153.56 37.39 Favored 'General case' 0 C--N 1.317 -0.815 0 N-CA-C 109.123 -0.695 . . . . 0.0 109.123 177.707 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.494 ' HG2' ' O ' ' A' ' 8' ' ' VAL . 0.6 OUTLIER -77.22 70.82 3.67 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 121.902 0.858 . . . . 0.0 110.882 178.327 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 49.0 t-20 -151.61 68.87 0.91 Allowed 'General case' 0 C--N 1.32 -0.691 0 N-CA-C 108.2 -1.037 . . . . 0.0 108.2 176.635 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 21.8 m . . . . . 0 C--O 1.249 1.059 0 CA-C-N 115.135 -0.939 . . . . 0.0 109.998 -178.533 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.631 0 N-CA-C 111.818 -0.513 . . . . 0.0 111.818 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 32.1 t -156.91 147.38 21.36 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 109.832 -0.433 . . . . 0.0 109.832 179.718 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -106.07 160.02 15.62 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.312 -0.403 . . . . 0.0 110.142 178.896 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -177.83 -48.34 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.317 0.58 . . . . 0.0 109.834 -176.245 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -141.14 80.49 1.74 Allowed 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.446 -0.797 . . . . 0.0 109.988 175.744 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -62.33 124.05 19.86 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.089 179.098 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 6.6 m -69.05 95.3 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-O 121.867 0.841 . . . . 0.0 111.242 -178.393 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 52.9 t -89.27 131.95 35.28 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.756 0 CA-C-N 115.268 -0.878 . . . . 0.0 110.865 177.749 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.575 ' HB ' ' O ' ' A' ' 59' ' ' GLU . 11.8 m -106.84 175.87 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.31 -1.126 0 CA-C-N 114.49 -1.232 . . . . 0.0 109.123 178.637 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 14.6 p -133.55 147.9 30.87 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.033 0 CA-C-O 121.08 0.466 . . . . 0.0 109.899 -178.577 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.482 ' HB1' HD12 ' A' ' 25' ' ' ILE . . . -86.67 145.34 26.74 Favored 'General case' 0 C--N 1.314 -0.954 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.005 -179.506 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.419 ' HB2' ' HG2' ' A' ' 59' ' ' GLU . 56.1 tttt -97.19 -41.41 8.32 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.67 -0.696 . . . . 0.0 110.218 -176.595 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 91.2 m-85 -140.66 149.38 42.18 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.543 -179.063 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 13.5 m-20 -47.52 125.97 9.14 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.258 -0.883 . . . . 0.0 112.939 176.315 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . 0.505 ' HB3' ' CG1' ' A' ' 25' ' ' ILE . 8.4 t80 -136.62 110.35 8.1 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.837 -0.62 . . . . 0.0 109.6 168.223 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 47.9 t -95.04 131.27 42.3 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.747 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.134 179.294 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -97.26 149.23 22.29 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.879 -0.601 . . . . 0.0 109.631 178.624 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 7.6 mm100 -79.69 -59.68 2.64 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-O 121.194 0.521 . . . . 0.0 111.888 -178.759 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . 0.569 ' HB2' ' HG2' ' A' ' 21' ' ' GLN . 38.2 mt-30 -108.3 164.56 12.21 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.112 -179.287 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 23.1 mt-10 -71.84 -3.66 23.55 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.365 -176.191 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.569 ' HG2' ' HB2' ' A' ' 19' ' ' GLN . 8.9 pt20 -69.26 -21.53 63.89 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.508 177.018 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.506 ' HA ' ' HA3' ' A' ' 51' ' ' GLY . 5.9 mm-40 -112.07 176.92 4.82 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.744 -0.662 . . . . 0.0 109.902 179.102 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.8 ' HG ' HG23 ' A' ' 43' ' ' VAL . 0.7 OUTLIER -104.78 129.01 53.11 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 109.481 -0.562 . . . . 0.0 109.481 -179.562 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 2.9 p-10 -99.65 135.17 41.47 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 109.681 -0.488 . . . . 0.0 109.681 178.018 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.719 HD13 HG12 ' A' ' 58' ' ' VAL . 1.1 pt -133.55 175.38 11.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-O 120.981 0.419 . . . . 0.0 111.056 -176.89 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.502 ' HB3' ' HB2' ' A' ' 29' ' ' GLU . 26.7 tptp -143.41 151.74 40.75 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 108.543 -0.91 . . . . 0.0 108.543 -177.919 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 58.6 tttp -55.15 126.17 23.67 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 118.018 0.372 . . . . 0.0 110.191 176.035 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 72.57 22.31 3.34 Favored 'General case' 0 N--CA 1.469 0.495 0 O-C-N 124.003 0.814 . . . . 0.0 110.613 177.531 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.502 ' HB2' ' HB3' ' A' ' 26' ' ' LYS . 8.6 tp10 -97.24 149.76 21.67 Favored 'General case' 0 C--N 1.331 -0.216 0 N-CA-C 109.643 -0.503 . . . . 0.0 109.643 177.482 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.704 ' O ' HD13 ' A' ' 31' ' ' LEU . 0.0 OUTLIER -96.43 136.64 36.65 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 120.506 0.193 . . . . 0.0 110.774 -177.877 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.704 HD13 ' O ' ' A' ' 30' ' ' ARG . 1.8 mm? -128.53 166.42 18.85 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 110.045 -0.354 . . . . 0.0 110.045 177.842 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 8.0 m-90 -104.66 121.62 43.94 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 109.567 -0.531 . . . . 0.0 109.567 176.745 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.557 ' HA ' HG12 ' A' ' 43' ' ' VAL . 36.8 tp -95.85 118.88 33.33 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 121.136 0.493 . . . . 0.0 111.192 -176.11 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -98.31 -45.88 6.01 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.272 -179.105 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . 0.524 ' HB3' ' HD3' ' A' ' 42' ' ' ARG . 25.1 t70 -144.35 143.96 31.21 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.999 -177.402 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 11.5 p-10 -136.76 32.33 2.73 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.851 -0.613 . . . . 0.0 109.777 178.456 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . 0.466 ' O ' ' HG3' ' A' ' 38' ' ' LYS . 31.6 t -62.47 -49.38 75.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.234 -0.439 . . . . 0.0 112.025 -172.43 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.466 ' HG3' ' O ' ' A' ' 37' ' ' SER . 2.1 mtpm? -175.71 162.01 2.66 Favored 'General case' 0 N--CA 1.469 0.506 0 C-N-CA 122.342 0.257 . . . . 0.0 111.129 -177.604 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 12.9 m 57.17 80.43 0.16 Allowed 'General case' 0 C--O 1.235 0.31 0 O-C-N 124.039 0.837 . . . . 0.0 111.745 177.156 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' TRP . . . . . 0.476 ' CD1' ' HA ' ' A' ' 54' ' ' PRO . 42.0 m0 65.43 -175.39 0.18 Allowed 'General case' 0 C--O 1.235 0.299 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.22 -175.902 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . 0.515 ' CE3' HG23 ' A' ' 58' ' ' VAL . 39.7 m0 -117.49 144.24 45.25 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 121.432 0.634 . . . . 0.0 111.371 178.71 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.524 ' HD3' ' HB3' ' A' ' 35' ' ' ASP . 66.5 ttt180 -99.78 105.94 17.78 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 114.926 -1.034 . . . . 0.0 110.63 -174.94 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.8 HG23 ' HG ' ' A' ' 23' ' ' LEU . 6.1 m -129.07 168.87 21.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 121.365 0.602 . . . . 0.0 112.474 -173.547 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.615 ' HG2' ' O ' ' A' ' 49' ' ' LYS . 1.1 tmm_? -138.34 123.46 19.15 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 114.871 -1.058 . . . . 0.0 108.321 179.575 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . 0.604 ' O ' ' HD2' ' A' ' 44' ' ' ARG . 40.4 p30 -93.21 -177.47 4.47 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.823 0.344 . . . . 0.0 111.35 -176.84 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 28.1 t -66.82 -14.55 62.79 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.66 -176.579 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' MET . . . . . 0.8 ' HG2' ' HE2' ' A' ' 49' ' ' LYS . 35.9 ttm -87.35 9.81 19.33 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.184 0.516 . . . . 0.0 109.98 -179.314 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . 0.405 ' HA ' ' HD3' ' A' ' 44' ' ' ARG . 29.9 m-80 67.47 14.19 9.54 Favored 'General case' 0 N--CA 1.466 0.37 0 CA-C-N 115.489 -0.778 . . . . 0.0 111.45 174.077 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.8 ' HE2' ' HG2' ' A' ' 47' ' ' MET . 71.6 mmtt -87.87 158.17 18.79 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 109.695 -0.483 . . . . 0.0 109.695 178.28 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 3.6 m -136.86 153.08 50.86 Favored 'General case' 0 C--N 1.32 -0.689 0 N-CA-C 110.328 -0.249 . . . . 0.0 110.328 176.407 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . 0.506 ' HA3' ' HA ' ' A' ' 22' ' ' GLU . . . 171.96 -172.04 44.5 Favored Glycine 0 N--CA 1.445 -0.74 0 N-CA-C 111.599 -0.6 . . . . 0.0 111.599 -178.934 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 80.8 m-85 -105.06 133.16 50.3 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.996 0.427 . . . . 0.0 110.357 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.494 HG13 ' HB3' ' A' ' 23' ' ' LEU . 21.6 m -117.02 144.4 33.49 Favored Pre-proline 0 C--N 1.321 -0.644 0 CA-C-N 115.582 -0.736 . . . . 0.0 111.156 179.198 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.518 ' HG2' ' HB2' ' A' ' 57' ' ' TYR . 19.2 Cg_endo -57.09 125.48 19.09 Favored 'Trans proline' 0 C--O 1.234 0.314 0 C-N-CA 123.572 2.848 . . . . 0.0 112.004 177.861 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 7.0 m -67.26 -11.52 57.7 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.73 -0.668 . . . . 0.0 111.936 -174.265 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 21.8 m120 -93.22 -14.77 26.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.629 0.252 . . . . 0.0 111.548 179.347 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . 0.518 ' HB2' ' HG2' ' A' ' 54' ' ' PRO . 55.0 m-85 -103.6 -8.81 19.71 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.828 0.347 . . . . 0.0 110.986 -178.577 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.719 HG12 HD13 ' A' ' 25' ' ' ILE . 21.6 m -127.57 158.75 38.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 N-CA-C 110.008 -0.368 . . . . 0.0 110.008 179.497 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.575 ' O ' ' HB ' ' A' ' 9' ' ' VAL . 5.8 mm-40 -133.54 155.62 49.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.924 0.392 . . . . 0.0 111.261 -177.923 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . 0.515 ' HA ' HG12 ' A' ' 9' ' ' VAL . 76.6 mtm180 -95.8 -162.61 0.97 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.11 175.758 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 86.9 mttt -70.87 87.37 0.71 Allowed 'General case' 0 N--CA 1.454 -0.24 0 N-CA-C 109.649 -0.5 . . . . 0.0 109.649 172.115 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 63.6 t30 -78.21 -16.11 58.17 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.913 -177.915 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 38.1 m . . . . . 0 C--O 1.25 1.107 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.253 179.159 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.56 0 N-CA-C 111.8 -0.52 . . . . 0.0 111.8 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 12.7 p -116.94 17.37 15.01 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 121.365 0.602 . . . . 0.0 110.178 179.079 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 2.0 mpt? -79.1 85.16 5.02 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.606 -0.725 . . . . 0.0 110.435 -176.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -123.98 122.39 37.79 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.183 179.011 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 29.0 tt0 -92.28 104.3 16.67 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 109.528 -0.545 . . . . 0.0 109.528 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -73.01 151.72 41.63 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.404 -0.816 . . . . 0.0 111.028 -172.773 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 48.4 t -82.55 125.37 39.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.61 -179.075 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 46.4 t -106.06 141.66 20.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-O 121.475 0.655 . . . . 0.0 111.434 -176.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 5.6 m -116.62 174.62 3.42 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.72 0 CA-C-N 114.871 -1.059 . . . . 0.0 109.163 174.355 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 14.4 p -137.04 155.38 32.6 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.793 0 N-CA-C 109.679 -0.489 . . . . 0.0 109.679 -178.04 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.476 ' HA ' ' HA ' ' A' ' 58' ' ' VAL . . . -108.62 146.85 32.73 Favored 'General case' 0 C--N 1.32 -0.686 0 N-CA-C 111.418 0.155 . . . . 0.0 111.418 -178.743 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.534 ' O ' ' HG3' ' A' ' 27' ' ' LYS . 3.8 ttmp? -89.42 -44.91 9.84 Favored 'General case' 0 C--N 1.329 -0.315 0 C-N-CA 121.023 -0.271 . . . . 0.0 110.625 176.222 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 65.5 m-85 -122.54 148.16 45.52 Favored 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 120.821 -0.352 . . . . 0.0 111.039 -179.931 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.608 ' HB3' ' HD3' ' A' ' 26' ' ' LYS . 1.0 OUTLIER -68.21 143.16 55.44 Favored 'General case' 0 N--CA 1.446 -0.656 0 CA-C-O 121.475 0.655 . . . . 0.0 112.15 179.962 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . 0.53 ' HB3' ' CG1' ' A' ' 25' ' ' ILE . 10.5 t80 -137.99 119.1 14.44 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 114.884 -1.053 . . . . 0.0 110.091 177.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 47.9 t -93.3 133.35 34.72 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 N-CA-C 109.887 -0.412 . . . . 0.0 109.887 178.333 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.544 ' HB1' ' HB2' ' A' ' 22' ' ' GLU . . . -98.58 164.16 12.37 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.043 -0.526 . . . . 0.0 109.999 -178.75 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 20.3 mt-30 -80.67 -51.9 8.17 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 120.869 -0.332 . . . . 0.0 111.272 -174.535 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . 0.453 ' HB3' ' HG2' ' A' ' 21' ' ' GLN . 24.7 tp60 -131.31 170.69 14.28 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 179.579 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.598 ' HB3' ' HD2' ' A' ' 49' ' ' LYS . 1.8 mp0 -70.75 -3.47 18.89 Favored 'General case' 0 N--CA 1.469 0.482 0 CA-C-O 120.783 0.325 . . . . 0.0 111.304 -178.631 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.453 ' HG2' ' HB3' ' A' ' 19' ' ' GLN . 24.1 pt20 -70.44 -20.13 62.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.61 0.719 . . . . 0.0 109.366 173.026 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.544 ' HB2' ' HB1' ' A' ' 17' ' ' ALA . 3.6 mt-10 -105.51 -178.63 3.71 Favored 'General case' 0 N--CA 1.449 -0.497 0 CA-C-N 114.643 -1.162 . . . . 0.0 109.134 178.073 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.704 ' HG ' HG23 ' A' ' 43' ' ' VAL . 0.8 OUTLIER -115.15 128.73 56.38 Favored 'General case' 0 C--N 1.323 -0.587 0 N-CA-C 110.04 -0.356 . . . . 0.0 110.04 -178.719 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 4.0 p-10 -95.36 135.26 37.2 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 109.415 -0.587 . . . . 0.0 109.415 177.441 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.765 HD13 HG12 ' A' ' 58' ' ' VAL . 1.0 OUTLIER -135.08 158.38 41.1 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 C-N-CA 120.608 -0.437 . . . . 0.0 110.968 -179.229 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.611 ' HB3' ' HB2' ' A' ' 29' ' ' GLU . 4.0 tppp? -126.99 158.61 36.45 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 116.468 -0.333 . . . . 0.0 110.156 -177.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.534 ' HG3' ' O ' ' A' ' 12' ' ' LYS . 82.2 tttt -55.61 124.65 18.06 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.294 172.499 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 12.3 t-20 69.03 20.77 7.64 Favored 'General case' 0 N--CA 1.47 0.545 0 O-C-N 123.89 0.744 . . . . 0.0 110.705 179.868 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.611 ' HB2' ' HB3' ' A' ' 26' ' ' LYS . 9.5 tp10 -92.1 145.62 24.37 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 121.942 -0.473 . . . . 0.0 109.916 178.707 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.51 ' O ' HD13 ' A' ' 31' ' ' LEU . 9.3 ptt180 -96.3 129.74 43.56 Favored 'General case' 0 C--N 1.316 -0.863 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.209 -178.52 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.51 HD13 ' O ' ' A' ' 30' ' ' ARG . 1.5 mm? -120.51 165.38 15.05 Favored 'General case' 0 C--N 1.314 -0.971 0 N-CA-C 109.372 -0.603 . . . . 0.0 109.372 178.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . 0.571 ' HB2' ' HB3' ' A' ' 44' ' ' ARG . 24.5 m-90 -105.54 122.13 45.39 Favored 'General case' 0 C--N 1.314 -0.967 0 N-CA-C 109.551 -0.537 . . . . 0.0 109.551 176.106 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.531 ' HA ' HG12 ' A' ' 43' ' ' VAL . 37.6 tp -97.8 114.69 26.78 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 120.885 0.374 . . . . 0.0 111.053 -175.044 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -101.27 -36.79 8.78 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.919 -176.86 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 22.7 t0 -154.72 147.17 24.03 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.503 -0.317 . . . . 0.0 110.721 -175.904 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 15.2 p-10 -125.02 78.57 1.72 Allowed 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 122.011 0.91 . . . . 0.0 109.807 -178.724 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -52.17 -47.46 65.49 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 114.436 -1.256 . . . . 0.0 111.888 -178.355 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.793 ' HG3' ' H ' ' A' ' 39' ' ' SER . 46.1 pttt -172.52 -91.88 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.301 -0.408 . . . . 0.0 109.952 178.824 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.793 ' H ' ' HG3' ' A' ' 38' ' ' LYS . 8.1 p -96.94 -37.77 10.07 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.354 0.597 . . . . 0.0 109.45 171.611 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 33.0 m95 -80.81 102.57 10.08 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.072 -0.967 . . . . 0.0 109.623 175.509 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . 0.549 ' O ' ' HA ' ' A' ' 52' ' ' PHE . 41.8 m0 -95.23 140.83 29.58 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.246 -179.429 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.441 ' HA ' ' O ' ' A' ' 51' ' ' GLY . 56.0 ttt180 -88.21 110.15 20.48 Favored 'General case' 0 C--O 1.237 0.438 0 N-CA-C 109.567 -0.531 . . . . 0.0 109.567 179.466 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.704 HG23 ' HG ' ' A' ' 23' ' ' LEU . 4.1 m -129.19 166.9 25.63 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 CA-C-N 115.559 -0.746 . . . . 0.0 111.92 -175.361 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.571 ' HB3' ' HB2' ' A' ' 32' ' ' TRP . 57.2 ttt-85 -123.06 130.85 53.33 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 114.858 -1.065 . . . . 0.0 109.12 176.699 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . 0.558 ' H ' HD21 ' A' ' 23' ' ' LEU . 52.8 t30 -94.09 172.89 7.94 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 120.845 0.355 . . . . 0.0 110.65 -179.913 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 45.1 t -66.28 -17.34 64.69 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.482 177.928 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' MET . . . . . 0.427 ' O ' ' HG2' ' A' ' 49' ' ' LYS . 27.9 ttt -80.1 16.15 1.31 Allowed 'General case' 0 CA--C 1.533 0.308 0 CA-C-N 116.121 -0.49 . . . . 0.0 109.967 176.343 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 4.6 p30 48.09 32.12 2.81 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 123.987 0.915 . . . . 0.0 112.431 178.876 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.598 ' HD2' ' HB3' ' A' ' 20' ' ' GLU . 69.5 mmtt -104.22 165.25 11.17 Favored 'General case' 0 N--CA 1.45 -0.471 0 N-CA-C 108.728 -0.841 . . . . 0.0 108.728 172.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 2.4 m -136.33 150.36 48.83 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 120.729 0.3 . . . . 0.0 110.416 178.375 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . 0.441 ' O ' ' HA ' ' A' ' 42' ' ' ARG . . . 174.95 -155.14 20.1 Favored Glycine 0 N--CA 1.448 -0.502 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.933 -178.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.549 ' HA ' ' O ' ' A' ' 41' ' ' TRP . 91.9 m-85 -120.78 144.12 48.47 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 110.121 -0.326 . . . . 0.0 110.121 -178.277 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.503 HG13 ' HB3' ' A' ' 23' ' ' LEU . 28.7 m -129.74 158.03 74.86 Favored Pre-proline 0 C--N 1.323 -0.544 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.68 -179.113 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.513 ' HG2' ' HB2' ' A' ' 57' ' ' TYR . 59.6 Cg_endo -74.3 133.12 17.27 Favored 'Trans proline' 0 C--N 1.346 0.446 0 C-N-CA 123.049 2.499 . . . . 0.0 112.582 176.788 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 8.5 p -71.83 -10.82 60.33 Favored 'General case' 0 C--N 1.327 -0.413 0 N-CA-C 112.811 0.671 . . . . 0.0 112.811 -175.412 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . 0.44 ' OD1' ' HB2' ' A' ' 54' ' ' PRO . 21.6 p-10 -94.37 -1.47 53.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.717 0.294 . . . . 0.0 111.622 179.919 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . 0.513 ' HB2' ' HG2' ' A' ' 54' ' ' PRO . 52.1 m-85 -114.37 -28.44 7.23 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.808 0.337 . . . . 0.0 110.618 177.445 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.765 HG12 HD13 ' A' ' 25' ' ' ILE . 35.0 m -107.95 160.33 7.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 N-CA-C 109.473 -0.566 . . . . 0.0 109.473 178.4 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.414 ' OE2' ' HB2' ' A' ' 12' ' ' LYS . 45.3 mt-10 -124.97 153.84 42.13 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 121.48 0.657 . . . . 0.0 112.05 -176.12 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 25.6 mtp180 -108.26 106.46 16.64 Favored 'General case' 0 C--N 1.32 -0.713 0 N-CA-C 108.321 -0.992 . . . . 0.0 108.321 168.715 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.573 ' O ' ' HB2' ' A' ' 62' ' ' ASN . 0.0 OUTLIER -78.51 -172.24 2.82 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.317 -178.242 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . 0.573 ' HB2' ' O ' ' A' ' 61' ' ' LYS . 2.5 m120 76.29 88.68 0.08 Allowed 'General case' 0 N--CA 1.468 0.435 0 CA-C-O 121.378 0.609 . . . . 0.0 110.041 -171.878 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 73.1 m . . . . . 0 C--O 1.247 0.943 0 CA-C-N 115.411 -0.813 . . . . 0.0 109.212 178.19 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.786 0 N-CA-C 112.237 -0.345 . . . . 0.0 112.237 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 30.2 p -147.34 131.48 17.35 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.553 0.216 . . . . 0.0 110.532 178.025 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 26.0 mmt -78.91 -31.86 45.46 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.366 0.603 . . . . 0.0 110.015 178.816 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -154.74 167.83 28.9 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.102 -0.954 . . . . 0.0 109.007 178.208 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -75.72 118.09 18.17 Favored 'General case' 0 C--N 1.324 -0.536 0 C-N-CA 120.561 -0.456 . . . . 0.0 110.661 178.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -65.55 133.19 50.68 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 108.655 -0.868 . . . . 0.0 108.655 170.493 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.796 HG11 ' HE2' ' A' ' 61' ' ' LYS . 45.9 t -63.34 117.44 4.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-O 121.336 0.589 . . . . 0.0 111.346 -174.096 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.445 ' CG1' ' HB2' ' A' ' 30' ' ' ARG . 47.1 t -87.59 135.2 25.92 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.676 0 CA-C-N 114.869 -1.059 . . . . 0.0 111.39 -178.65 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.49 ' HB ' ' O ' ' A' ' 59' ' ' GLU . 12.4 m -105.59 176.32 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.316 -0.868 0 CA-C-N 114.78 -1.1 . . . . 0.0 108.575 175.303 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 14.1 p -131.95 155.37 41.53 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.821 0 C-N-CA 120.75 -0.38 . . . . 0.0 110.259 -178.599 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -97.86 146.36 25.51 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 120.974 0.416 . . . . 0.0 111.287 179.616 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.462 ' HB2' ' HE3' ' A' ' 12' ' ' LYS . 38.0 ttmt -90.23 -45.47 9.06 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.943 -0.572 . . . . 0.0 110.185 -178.49 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.437 ' HB2' ' CD2' ' A' ' 57' ' ' TYR . 65.1 m-85 -136.94 168.92 18.66 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.51 179.757 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 34.0 m-20 -69.05 133.69 48.43 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.549 178.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . 0.564 ' HB3' ' CG1' ' A' ' 25' ' ' ILE . 7.6 t80 -135.61 111.4 9.38 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.714 -0.675 . . . . 0.0 109.53 171.83 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.438 ' HA ' ' OD1' ' A' ' 24' ' ' ASP . 40.7 t -94.36 126.4 46.79 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.311 -179.784 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -87.36 131.53 34.25 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.934 -0.575 . . . . 0.0 109.47 179.713 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 8.5 tt0 -61.96 -38.9 90.24 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 121.013 0.435 . . . . 0.0 111.339 -175.756 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 81.3 mm-40 -129.6 156.42 44.24 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.066 -0.516 . . . . 0.0 109.924 178.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -71.19 -3.05 18.09 Favored 'General case' 0 N--CA 1.464 0.249 0 N-CA-C 111.954 0.353 . . . . 0.0 111.954 -176.822 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 3.8 pt20 -72.52 -17.62 61.72 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.143 0.497 . . . . 0.0 110.459 175.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 71.3 mm-40 -108.19 -177.88 3.45 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.497 -0.774 . . . . 0.0 109.615 176.686 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.809 ' HG ' HG23 ' A' ' 43' ' ' VAL . 0.8 OUTLIER -103.4 128.26 50.57 Favored 'General case' 0 C--N 1.32 -0.69 0 C-N-CA 120.642 -0.423 . . . . 0.0 110.206 -175.923 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.438 ' OD1' ' HA ' ' A' ' 16' ' ' VAL . 24.9 t70 -97.21 121.72 39.42 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.225 -0.443 . . . . 0.0 109.852 176.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.751 HD13 HG12 ' A' ' 58' ' ' VAL . 0.9 OUTLIER -121.11 162.59 19.8 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 CA-C-O 120.922 0.392 . . . . 0.0 110.469 -179.321 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.453 ' HD3' ' HA ' ' A' ' 26' ' ' LYS . 0.4 OUTLIER -129.54 154.77 46.71 Favored 'General case' 0 C--N 1.319 -0.753 0 C-N-CA 120.786 -0.366 . . . . 0.0 110.031 -177.861 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 82.8 tttt -55.29 124.41 16.96 Favored 'General case' 0 C--N 1.319 -0.736 0 O-C-N 123.656 0.597 . . . . 0.0 111.205 179.545 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 64.5 t30 64.7 23.88 12.83 Favored 'General case' 0 CA--C 1.535 0.391 0 CA-C-N 115.646 -0.706 . . . . 0.0 111.007 176.593 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -100.07 155.1 17.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.227 -0.442 . . . . 0.0 109.911 178.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.628 ' O ' HD13 ' A' ' 31' ' ' LEU . 6.7 ptp180 -93.01 141.36 28.48 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 120.759 0.314 . . . . 0.0 111.044 -176.479 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.628 HD13 ' O ' ' A' ' 30' ' ' ARG . 2.3 mm? -129.16 167.77 17.11 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 109.616 -0.512 . . . . 0.0 109.616 175.305 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 18.5 m-90 -105.47 120.57 41.96 Favored 'General case' 0 C--N 1.317 -0.812 0 N-CA-C 109.486 -0.561 . . . . 0.0 109.486 173.855 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.619 ' HA ' HG12 ' A' ' 43' ' ' VAL . 41.9 tp -95.25 124.02 39.07 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 120.981 0.42 . . . . 0.0 111.195 -176.164 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -102.42 -51.05 3.43 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.626 -0.716 . . . . 0.0 110.078 178.227 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -127.64 130.44 48.95 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.596 -176.528 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 11.7 p-10 -103.15 64.85 0.85 Allowed 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 122.302 1.048 . . . . 0.0 108.747 175.282 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . 0.453 ' O ' ' HB3' ' A' ' 38' ' ' LYS . 0.3 OUTLIER -67.52 5.34 0.81 Allowed 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 114.25 -1.341 . . . . 0.0 113.27 -176.687 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.453 ' HB3' ' O ' ' A' ' 37' ' ' SER . 84.9 tttt 73.59 -69.63 0.18 Allowed 'General case' 0 N--CA 1.469 0.505 0 C-N-CA 123.167 0.587 . . . . 0.0 110.858 178.733 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 24.1 m -82.58 91.04 6.86 Favored 'General case' 0 N--CA 1.444 -0.742 0 N-CA-C 109.644 -0.502 . . . . 0.0 109.644 177.879 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' TRP . . . . . 0.569 ' HB3' ' HB3' ' A' ' 52' ' ' PHE . 61.2 m95 70.92 113.33 0.05 Allowed 'General case' 0 N--CA 1.465 0.294 0 CA-C-N 115.277 -0.874 . . . . 0.0 110.507 -176.772 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . 0.436 ' O ' ' HA ' ' A' ' 52' ' ' PHE . 42.4 m0 -90.59 146.7 23.85 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.686 -177.173 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 21.5 ttp180 -95.62 113.74 25.41 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.991 0.424 . . . . 0.0 110.035 178.189 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.809 HG23 ' HG ' ' A' ' 23' ' ' LEU . 5.6 m -126.96 166.93 22.6 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 CA-C-N 115.562 -0.745 . . . . 0.0 111.389 -177.502 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.484 ' HG3' ' O ' ' A' ' 49' ' ' LYS . 39.2 ttt180 -133.95 127.29 32.1 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.464 -0.789 . . . . 0.0 109.822 176.837 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . 0.41 ' H ' HD21 ' A' ' 23' ' ' LEU . 28.3 t-20 -87.45 174.84 8.26 Favored 'General case' 0 C--N 1.32 -0.69 0 N-CA-C 109.193 -0.669 . . . . 0.0 109.193 178.537 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 6.2 p -68.27 -15.21 63.48 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.947 0.404 . . . . 0.0 111.096 -178.523 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 53.0 tpp -75.32 -3.23 32.27 Favored 'General case' 0 CA--C 1.533 0.312 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.191 174.687 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 22.9 m-80 71.12 9.74 6.72 Favored 'General case' 0 N--CA 1.468 0.442 0 C-N-CA 123.858 0.863 . . . . 0.0 111.756 174.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.484 ' O ' ' HG3' ' A' ' 44' ' ' ARG . 71.7 mmtt -74.3 155.09 38.58 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 108.22 -1.03 . . . . 0.0 108.22 172.44 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . 0.427 ' HA ' HD23 ' A' ' 23' ' ' LEU . 3.0 m -133.82 153.12 51.96 Favored 'General case' 0 C--N 1.319 -0.736 0 N-CA-C 110.226 -0.287 . . . . 0.0 110.226 177.554 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 171.25 -169.36 42.42 Favored Glycine 0 N--CA 1.447 -0.595 0 C-N-CA 120.842 -0.695 . . . . 0.0 111.886 -179.401 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.569 ' HB3' ' HB3' ' A' ' 40' ' ' TRP . 91.3 m-85 -108.54 140.33 42.05 Favored 'General case' 0 N--CA 1.448 -0.56 0 CA-C-O 121.085 0.469 . . . . 0.0 110.362 -179.126 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 27.7 m -123.05 148.34 54.09 Favored Pre-proline 0 C--N 1.317 -0.815 0 CA-C-N 115.737 -0.665 . . . . 0.0 111.24 -179.106 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.511 ' HG2' ' HB2' ' A' ' 57' ' ' TYR . 33.7 Cg_endo -64.88 128.67 21.36 Favored 'Trans proline' 0 N--CA 1.462 -0.352 0 C-N-CA 122.96 2.44 . . . . 0.0 111.837 178.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 32.2 t -67.82 -11.33 58.34 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.055 -0.521 . . . . 0.0 111.511 -175.569 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 2.8 m-20 -90.19 -14.97 32.38 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.696 0.284 . . . . 0.0 111.238 -178.009 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . 0.511 ' HB2' ' HG2' ' A' ' 54' ' ' PRO . 39.5 m-85 -109.77 -9.11 14.84 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.593 -0.276 . . . . 0.0 111.372 -177.751 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.751 HG12 HD13 ' A' ' 25' ' ' ILE . 27.8 m -124.48 164.23 23.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-O 120.523 0.201 . . . . 0.0 110.908 -178.607 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.49 ' O ' ' HB ' ' A' ' 9' ' ' VAL . 41.1 mm-40 -135.04 166.91 21.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.074 -178.047 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 78.4 mtp180 -106.92 -159.1 0.68 Allowed 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.369 178.046 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.796 ' HE2' HG11 ' A' ' 7' ' ' VAL . 18.5 ptpt -75.22 151.97 38.39 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 109.786 -0.45 . . . . 0.0 109.786 179.168 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 13.6 m120 -82.72 109.16 16.63 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 109.945 -0.391 . . . . 0.0 109.945 178.191 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 63.3 m . . . . . 0 C--O 1.249 1.035 0 CA-C-O 118.331 -0.842 . . . . 0.0 110.338 -177.876 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.685 0 N-CA-C 111.998 -0.441 . . . . 0.0 111.998 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 52.9 p -78.35 -38.74 41.33 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.673 0.273 . . . . 0.0 110.61 179.364 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 94.2 mmm 59.22 28.73 18.12 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.554 -179.376 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -151.83 -167.17 2.7 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.339 -0.846 . . . . 0.0 109.648 -178.129 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 13.7 pt-20 -82.58 150.36 26.94 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 120.963 0.411 . . . . 0.0 110.936 179.39 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 42.0 mm-40 -83.23 177.07 8.71 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.811 -0.632 . . . . 0.0 109.808 175.845 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 50.4 t -69.28 105.36 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-O 120.799 0.333 . . . . 0.0 110.963 -179.461 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 79.0 t -106.16 139.3 27.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-O 121.778 0.799 . . . . 0.0 111.46 -179.162 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 20.2 m -118.58 -177.67 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.317 -0.84 0 CA-C-N 114.093 -1.412 . . . . 0.0 108.852 178.033 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 12.5 p -140.65 143.27 29.19 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.692 0 C-N-CA 120.804 -0.358 . . . . 0.0 110.129 -179.867 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.472 ' HB2' HD21 ' A' ' 31' ' ' LEU . . . -89.75 146.21 24.65 Favored 'General case' 0 C--N 1.316 -0.865 0 CA-C-O 121.028 0.442 . . . . 0.0 111.944 -176.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.616 ' HB2' ' HG2' ' A' ' 59' ' ' GLU . 51.9 tptt -85.09 -49.1 8.55 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.2 -178.731 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 58.7 m-85 -132.81 167.97 19.22 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.228 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 25.0 m-20 -67.75 128.28 35.89 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.606 -0.724 . . . . 0.0 111.017 178.324 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . 0.537 ' HB3' ' CG1' ' A' ' 25' ' ' ILE . 33.2 t80 -131.85 111.11 11.31 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.15 -0.477 . . . . 0.0 109.759 172.184 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 27.0 t -81.65 142.33 13.89 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-N 115.857 -0.61 . . . . 0.0 109.709 178.891 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.537 ' HB1' ' HB2' ' A' ' 22' ' ' GLU . . . -86.1 153.63 21.95 Favored 'General case' 0 N--CA 1.441 -0.911 0 N-CA-C 109.569 -0.53 . . . . 0.0 109.569 -177.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 8.0 tt0 -67.98 -55.28 13.28 Favored 'General case' 0 C--N 1.315 -0.927 0 N-CA-C 109.569 -0.53 . . . . 0.0 109.569 178.409 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 23.4 mm-40 -147.44 -167.91 2.91 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 114.944 -1.026 . . . . 0.0 108.742 173.048 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 4.5 mp0 -70.9 -3.58 19.93 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-O 120.964 0.411 . . . . 0.0 110.792 179.597 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.426 ' HG3' ' OE2' ' A' ' 22' ' ' GLU . 12.7 pt20 -78.34 -17.98 55.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.384 0.612 . . . . 0.0 110.109 175.339 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.537 ' HB2' ' HB1' ' A' ' 17' ' ' ALA . 49.0 mm-40 -110.39 177.34 4.72 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 108.326 -0.99 . . . . 0.0 108.326 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.509 HD23 ' HA ' ' A' ' 50' ' ' THR . 1.1 tm? -105.85 128.03 53.49 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 109.379 -0.6 . . . . 0.0 109.379 177.003 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -96.23 117.71 31.33 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 109.99 -0.374 . . . . 0.0 109.99 179.635 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.752 HD13 HG12 ' A' ' 58' ' ' VAL . 1.0 OUTLIER -118.72 176.5 3.12 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.652 0 CA-C-O 120.882 0.372 . . . . 0.0 110.146 179.423 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.418 ' O ' ' HB3' ' A' ' 11' ' ' ALA . 0.0 OUTLIER -142.58 164.23 30.67 Favored 'General case' 0 C--N 1.316 -0.865 0 N-CA-C 109.396 -0.594 . . . . 0.0 109.396 -178.184 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 37.9 ttpt -63.42 139.34 58.76 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 110.089 -0.337 . . . . 0.0 110.089 177.909 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 3.1 p-10 48.95 28.83 2.12 Favored 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 124.115 0.966 . . . . 0.0 112.047 -177.046 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -89.65 146.29 24.64 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.903 -0.589 . . . . 0.0 109.837 176.478 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.424 ' O ' HD13 ' A' ' 31' ' ' LEU . 2.4 ptm180 -96.49 126.62 41.81 Favored 'General case' 0 C--N 1.319 -0.758 0 N-CA-C 109.687 -0.486 . . . . 0.0 109.687 179.56 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.472 HD21 ' HB2' ' A' ' 11' ' ' ALA . 1.3 mm? -117.78 165.55 13.51 Favored 'General case' 0 C--N 1.318 -0.771 0 N-CA-C 109.853 -0.425 . . . . 0.0 109.853 -178.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . 0.416 ' HE3' ' O ' ' A' ' 44' ' ' ARG . 12.1 m-90 -102.88 124.06 47.68 Favored 'General case' 0 C--N 1.315 -0.921 0 N-CA-C 109.577 -0.527 . . . . 0.0 109.577 175.668 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.585 ' HA ' HG12 ' A' ' 43' ' ' VAL . 43.9 tp -99.01 117.7 34.12 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 121.161 0.505 . . . . 0.0 111.388 -174.604 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.406 HD22 ' N ' ' A' ' 34' ' ' LEU . 1.9 mm? -106.87 -26.89 11.03 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.671 -0.695 . . . . 0.0 111.098 -178.145 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . 0.624 ' HB3' ' HB3' ' A' ' 42' ' ' ARG . 11.0 t70 -153.47 133.45 13.24 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.957 0.408 . . . . 0.0 111.633 -175.687 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -131.82 36.79 3.68 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.709 -0.678 . . . . 0.0 109.711 176.051 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 12.6 t -56.14 -48.82 75.52 Favored 'General case' 0 C--O 1.237 0.401 0 CA-C-N 115.804 -0.635 . . . . 0.0 111.77 -172.74 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 17.1 pttp -178.97 162.78 1.29 Allowed 'General case' 0 C--O 1.233 0.196 0 CA-C-O 120.549 0.214 . . . . 0.0 111.242 -179.857 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 13.4 m 68.17 -83.36 0.03 OUTLIER 'General case' 0 CA--C 1.534 0.35 0 CA-C-N 115.517 -0.765 . . . . 0.0 111.666 172.621 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 8.1 m0 -124.4 142.82 51.0 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 109.386 -0.598 . . . . 0.0 109.386 -179.661 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 51.1 m0 -83.31 139.77 32.86 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-O 121.161 0.505 . . . . 0.0 110.847 -177.444 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.624 ' HB3' ' HB3' ' A' ' 35' ' ' ASP . 42.2 ttp180 -98.04 110.6 23.15 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.992 -0.549 . . . . 0.0 109.955 -179.621 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.585 HG12 ' HA ' ' A' ' 33' ' ' LEU . 11.7 m -127.78 173.4 13.13 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 CA-C-N 115.492 -0.777 . . . . 0.0 112.062 -173.801 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.416 ' O ' ' HE3' ' A' ' 32' ' ' TRP . 15.1 ttm180 -129.29 129.07 44.42 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 114.905 -1.043 . . . . 0.0 109.323 175.519 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . 0.42 ' HB2' HD11 ' A' ' 23' ' ' LEU . 55.2 t30 -104.02 179.2 4.34 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 109.046 -0.724 . . . . 0.0 109.046 177.339 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 27.2 p -65.26 -8.13 16.34 Favored 'General case' 0 CA--C 1.533 0.304 0 CA-C-O 121.313 0.578 . . . . 0.0 110.972 179.476 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' MET . . . . . 0.53 ' O ' ' HG2' ' A' ' 49' ' ' LYS . 2.4 tpt -76.86 12.22 1.43 Allowed 'General case' 0 CA--C 1.533 0.314 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.65 178.24 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 9.6 p30 50.66 21.72 0.96 Allowed 'General case' 0 N--CA 1.483 1.198 0 C-N-CA 124.317 1.047 . . . . 0.0 113.285 176.029 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.53 ' HG2' ' O ' ' A' ' 47' ' ' MET . 68.2 mmtt -113.81 169.59 8.88 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.011 178.509 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . 0.509 ' HA ' HD23 ' A' ' 23' ' ' LEU . 5.0 m -136.57 152.17 50.19 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 109.814 -0.439 . . . . 0.0 109.814 176.001 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 178.7 -171.49 43.69 Favored Glycine 0 N--CA 1.445 -0.733 0 N-CA-C 111.469 -0.653 . . . . 0.0 111.469 -178.25 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 93.5 m-85 -105.39 125.09 50.59 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-O 120.926 0.393 . . . . 0.0 110.705 -179.162 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.469 ' CG1' ' HB3' ' A' ' 23' ' ' LEU . 27.6 m -109.16 147.87 36.83 Favored Pre-proline 0 C--N 1.321 -0.64 0 CA-C-O 121.111 0.481 . . . . 0.0 111.368 -179.468 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.486 ' HG2' ' HB2' ' A' ' 57' ' ' TYR . 42.3 Cg_endo -66.08 122.57 10.13 Favored 'Trans proline' 0 C--O 1.237 0.453 0 C-N-CA 123.366 2.711 . . . . 0.0 112.264 179.218 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 10.9 m -64.63 -11.72 38.25 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.73 -0.668 . . . . 0.0 111.809 -177.47 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 69.8 m-20 -87.85 -11.62 47.28 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.524 -0.307 . . . . 0.0 110.85 -179.536 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . 0.486 ' HB2' ' HG2' ' A' ' 54' ' ' PRO . 45.5 m-85 -111.55 -16.53 13.26 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.82 0.343 . . . . 0.0 110.999 -179.511 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.752 HG12 HD13 ' A' ' 25' ' ' ILE . 33.3 m -118.31 155.38 20.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.267 -177.152 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.616 ' HG2' ' HB2' ' A' ' 12' ' ' LYS . 15.1 mm-40 -123.33 167.51 13.69 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 109.114 -0.699 . . . . 0.0 109.114 179.221 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 14.1 ptt180 -149.15 175.42 11.38 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 121.089 0.471 . . . . 0.0 110.792 177.399 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 7.3 mtpt -74.31 99.91 3.6 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.521 -0.763 . . . . 0.0 109.799 174.207 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . 0.44 ' HB2' ' H ' ' A' ' 63' ' ' SER . 7.4 m-80 -86.72 -106.36 0.06 Allowed 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.097 -178.13 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . 0.44 ' H ' ' HB2' ' A' ' 62' ' ' ASN . 43.4 m . . . . . 0 C--O 1.247 0.956 0 CA-C-O 118.49 -0.766 . . . . 0.0 109.291 174.888 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.589 0 N-CA-C 111.741 -0.544 . . . . 0.0 111.741 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 17.8 m -110.08 89.4 3.01 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.189 0.518 . . . . 0.0 110.597 -179.864 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -137.91 150.1 46.78 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.216 179.622 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -144.69 -74.33 0.24 Allowed 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.904 -0.589 . . . . 0.0 109.727 175.577 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -138.02 101.17 4.35 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.316 176.926 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -120.77 146.41 46.54 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.676 -0.693 . . . . 0.0 109.558 -179.55 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 10.8 m -76.03 115.5 17.66 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-O 121.433 0.635 . . . . 0.0 111.427 -178.342 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 71.7 t -88.0 131.82 34.67 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.658 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.566 175.417 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.547 HG12 ' HA ' ' A' ' 60' ' ' ARG . 8.2 m -107.84 176.46 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.31 -1.119 0 CA-C-N 114.591 -1.186 . . . . 0.0 109.169 179.146 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 10.7 p -139.4 144.35 29.12 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.059 0 N-CA-C 109.897 -0.408 . . . . 0.0 109.897 -178.887 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.575 ' HB1' HD12 ' A' ' 25' ' ' ILE . . . -83.52 131.96 34.97 Favored 'General case' 0 C--N 1.314 -0.957 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.988 -179.669 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.575 ' HB2' ' HG3' ' A' ' 59' ' ' GLU . 39.0 ttpt -83.88 -38.76 20.72 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 109.759 -0.46 . . . . 0.0 109.759 178.733 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.512 ' CE2' ' HE3' ' A' ' 12' ' ' LYS . 70.6 m-85 -134.96 163.48 29.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.953 176.686 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -65.74 135.89 55.52 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.557 -0.747 . . . . 0.0 111.179 178.169 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . 0.631 ' HB3' ' CG1' ' A' ' 25' ' ' ILE . 12.3 t80 -136.78 111.45 8.7 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 121.116 0.484 . . . . 0.0 110.063 171.517 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 47.6 t -86.8 132.23 32.89 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 CA-C-N 115.761 -0.654 . . . . 0.0 109.834 177.412 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.463 ' HB1' ' HB2' ' A' ' 22' ' ' GLU . . . -93.47 159.81 15.08 Favored 'General case' 0 C--N 1.318 -0.763 0 N-CA-C 108.894 -0.78 . . . . 0.0 108.894 -178.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 6.9 tt0 -65.62 -45.86 81.47 Favored 'General case' 0 C--N 1.32 -0.68 0 C-N-CA 120.225 -0.59 . . . . 0.0 110.513 -179.377 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 45.1 mt-30 -150.37 -178.69 6.67 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.7 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -66.35 -9.47 33.65 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-N 115.798 -0.637 . . . . 0.0 111.321 179.684 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.518 ' HG3' ' HG2' ' A' ' 22' ' ' GLU . 2.6 pt20 -68.53 -23.47 64.53 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.85 -0.613 . . . . 0.0 110.656 177.705 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.518 ' HG2' ' HG3' ' A' ' 21' ' ' GLN . 73.5 mm-40 -113.48 -177.39 3.12 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.703 -0.68 . . . . 0.0 109.251 179.684 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.78 ' HG ' HG23 ' A' ' 43' ' ' VAL . 0.7 OUTLIER -103.46 127.18 50.89 Favored 'General case' 0 N--CA 1.445 -0.718 0 N-CA-C 109.12 -0.696 . . . . 0.0 109.12 -178.497 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.7 p-10 -100.26 134.37 43.3 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 108.646 -0.872 . . . . 0.0 108.646 176.692 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.801 HD13 HG12 ' A' ' 58' ' ' VAL . 1.3 pt -131.22 150.18 34.14 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.788 0 CA-C-O 121.198 0.523 . . . . 0.0 110.741 -177.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.468 ' HB3' ' HB2' ' A' ' 29' ' ' GLU . 24.1 tptp -114.03 154.14 28.19 Favored 'General case' 0 C--N 1.316 -0.86 0 N-CA-C 108.681 -0.859 . . . . 0.0 108.681 -178.306 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 87.1 tttt -59.01 123.37 16.36 Favored 'General case' 0 N--CA 1.449 -0.523 0 C-N-CA 120.327 -0.549 . . . . 0.0 109.604 176.657 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 65.2 t30 72.8 26.57 2.32 Favored 'General case' 0 N--CA 1.471 0.584 0 O-C-N 124.196 0.935 . . . . 0.0 111.222 -177.919 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.468 ' HB2' ' HB3' ' A' ' 26' ' ' LYS . 6.2 tp10 -93.96 139.59 30.74 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 173.745 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.599 ' O ' HD13 ' A' ' 31' ' ' LEU . 3.7 ptm180 -91.22 135.7 33.6 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 179.759 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.599 HD13 ' O ' ' A' ' 30' ' ' ARG . 1.7 mm? -124.11 163.79 20.76 Favored 'General case' 0 C--N 1.316 -0.874 0 N-CA-C 109.018 -0.734 . . . . 0.0 109.018 178.571 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . 0.542 ' HB2' ' HB3' ' A' ' 44' ' ' ARG . 23.4 m-90 -102.43 122.81 45.04 Favored 'General case' 0 C--N 1.311 -1.1 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 175.265 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.578 ' HA ' HG12 ' A' ' 43' ' ' VAL . 33.4 tp -93.41 111.47 23.14 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-O 121.025 0.441 . . . . 0.0 110.81 -176.598 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -98.35 -44.9 6.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.883 -0.599 . . . . 0.0 109.989 -179.866 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . 0.576 ' HB3' ' HB3' ' A' ' 42' ' ' ARG . 14.8 t70 -136.29 122.29 20.15 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.33 -177.121 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 9.2 p-10 -119.28 66.03 0.79 Allowed 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 109.029 -0.73 . . . . 0.0 109.029 173.895 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 10.0 t -52.38 -47.55 66.12 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.019 -0.991 . . . . 0.0 111.636 -175.204 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -172.66 -84.74 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 109.584 -0.525 . . . . 0.0 109.584 175.234 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 54.3 m -103.56 139.21 39.18 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.158 -0.474 . . . . 0.0 109.848 175.803 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' TRP . . . . . 0.59 ' HA ' ' O ' ' A' ' 53' ' ' VAL . 40.8 m95 65.35 99.12 0.04 OUTLIER 'General case' 0 N--CA 1.463 0.205 0 CA-C-O 121.65 0.738 . . . . 0.0 110.383 -176.581 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 32.9 m0 -91.82 149.32 21.65 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.357 -0.838 . . . . 0.0 111.117 -171.894 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.576 ' HB3' ' HB3' ' A' ' 35' ' ' ASP . 32.1 ttt180 -92.56 108.7 20.17 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.533 -0.758 . . . . 0.0 109.854 178.697 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.78 HG23 ' HG ' ' A' ' 23' ' ' LEU . 8.3 m -125.45 162.18 28.72 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.885 -174.699 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.542 ' HB3' ' HB2' ' A' ' 32' ' ' TRP . 46.9 ttp180 -111.87 125.25 53.83 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.049 -0.978 . . . . 0.0 109.376 175.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . 0.592 ' HB2' HD11 ' A' ' 23' ' ' LEU . 28.0 t-20 -85.39 172.95 10.65 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.238 -179.901 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 6.5 m -60.89 -27.51 68.21 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.845 179.449 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 14.5 tpt -81.17 8.15 9.5 Favored 'General case' 0 CA--C 1.534 0.356 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.649 179.004 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 30.6 m-80 69.42 16.3 8.27 Favored 'General case' 0 N--CA 1.471 0.609 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.414 175.409 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.427 ' O ' ' HA ' ' A' ' 44' ' ' ARG . 74.4 mmtt -80.85 167.25 20.13 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.084 -0.507 . . . . 0.0 109.957 176.366 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . 0.419 ' HA ' HD23 ' A' ' 23' ' ' LEU . 4.0 m -142.9 153.4 43.08 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.624 0.25 . . . . 0.0 110.37 175.547 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . 0.428 ' O ' ' HA ' ' A' ' 42' ' ' ARG . . . 169.24 -170.22 42.42 Favored Glycine 0 N--CA 1.448 -0.524 0 N-CA-C 111.097 -0.801 . . . . 0.0 111.097 -178.883 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 56.8 m-85 -104.68 134.1 48.41 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.013 0.435 . . . . 0.0 111.082 -179.363 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.59 ' O ' ' HA ' ' A' ' 40' ' ' TRP . 22.0 m -121.25 146.85 45.6 Favored Pre-proline 0 C--N 1.323 -0.586 0 CA-C-N 115.494 -0.775 . . . . 0.0 111.278 -179.879 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.602 ' HG2' ' HB2' ' A' ' 57' ' ' TYR . 37.0 Cg_endo -64.71 126.13 16.15 Favored 'Trans proline' 0 C--N 1.345 0.39 0 C-N-CA 123.138 2.559 . . . . 0.0 112.26 -179.609 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 12.2 m -65.53 -11.19 41.46 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.878 -0.601 . . . . 0.0 112.539 -174.57 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 14.0 m120 -93.22 -16.81 24.4 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.856 0.36 . . . . 0.0 111.284 -179.422 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . 0.602 ' HB2' ' HG2' ' A' ' 54' ' ' PRO . 71.9 m-85 -103.9 -20.67 13.82 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.965 0.412 . . . . 0.0 110.344 -179.214 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.801 HG12 HD13 ' A' ' 25' ' ' ILE . 31.5 m -109.51 156.18 10.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-N 116.002 -0.544 . . . . 0.0 109.836 176.312 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.575 ' HG3' ' HB2' ' A' ' 12' ' ' LYS . 17.3 mm-40 -136.2 148.08 47.95 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.113 0.482 . . . . 0.0 111.988 -173.481 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . 0.547 ' HA ' HG12 ' A' ' 9' ' ' VAL . 54.8 mtt180 -79.32 164.22 24.27 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.364 -0.834 . . . . 0.0 109.365 171.193 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 18.3 ptpt -72.89 124.53 25.6 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 109.731 -0.47 . . . . 0.0 109.731 175.488 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 13.5 m120 -83.91 99.21 10.22 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 109.978 -0.379 . . . . 0.0 109.978 179.372 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 50.7 m . . . . . 0 C--O 1.247 0.967 0 CA-C-O 118.855 -0.593 . . . . 0.0 110.266 179.449 . . . . . . . . 0 0 . 1 stop_ save_